smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@@]1(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888356 1088139459 /nfs/dbraw/zinc/13/94/59/1088139459.db2.gz COWVGBLMFYYSKI-FPOVZHCZSA-N 2 0 341.499 2.808 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001574903980 1088148165 /nfs/dbraw/zinc/14/81/65/1088148165.db2.gz YVVBGQKPWFETQP-YTQUADARSA-N 2 0 329.488 2.697 20 30 EFEDRP C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1CC1([NH+](C)C)CCCCC1 ZINC001574925233 1088154816 /nfs/dbraw/zinc/15/48/16/1088154816.db2.gz KWWUMSXLEKOXJJ-INIZCTEOSA-N 2 0 346.523 2.589 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961101 1090733532 /nfs/dbraw/zinc/73/35/32/1090733532.db2.gz AWMHRCKTUFZWME-RBUKOAKNSA-N 2 0 349.482 2.780 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204895 1092694015 /nfs/dbraw/zinc/69/40/15/1092694015.db2.gz WKIDIBCBCFADCB-IAGOWNOFSA-N 2 0 333.520 2.702 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001075454362 1093049182 /nfs/dbraw/zinc/04/91/82/1093049182.db2.gz RPNDMYBNUDDOMH-QUCCMNQESA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001104452719 1093295471 /nfs/dbraw/zinc/29/54/71/1093295471.db2.gz REQWVQMEKPUFPX-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516469 1093542613 /nfs/dbraw/zinc/54/26/13/1093542613.db2.gz LNOUDGNOWXCDGN-IWFBPKFRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589066 1094376066 /nfs/dbraw/zinc/37/60/66/1094376066.db2.gz UIUHHTXTHQDPAW-YDZRNGNQSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519061 1094615939 /nfs/dbraw/zinc/61/59/39/1094615939.db2.gz QXUCUDGKBYDMHB-HBFSDRIKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001112528513 1094646907 /nfs/dbraw/zinc/64/69/07/1094646907.db2.gz GCFSOADCJBBSLR-BJLQDIEVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522335 1094770245 /nfs/dbraw/zinc/77/02/45/1094770245.db2.gz RKZZHRLNSXGBKI-CUWPLCDZSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301450 1095133407 /nfs/dbraw/zinc/13/34/07/1095133407.db2.gz CLXTYVOPICUUEX-FGTMMUONSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087307337 1095203374 /nfs/dbraw/zinc/20/33/74/1095203374.db2.gz YDPDOMGZMXGASY-MISYRCLQSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981959073 1095792127 /nfs/dbraw/zinc/79/21/27/1095792127.db2.gz XWROJICYYKAVRJ-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958053 1095793890 /nfs/dbraw/zinc/79/38/90/1095793890.db2.gz DALQRFNZAMCAHT-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964081 1095848839 /nfs/dbraw/zinc/84/88/39/1095848839.db2.gz VDZOEXWUBSNACE-UHFFFAOYSA-N 2 0 329.488 2.515 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](CCC[NH3+])C(=O)OC)cc1 ZINC001167902247 1096376415 /nfs/dbraw/zinc/37/64/15/1096376415.db2.gz VLCPAMAJNUTWKV-QZTJIDSGSA-N 2 0 331.460 2.702 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481956636 1096994645 /nfs/dbraw/zinc/99/46/45/1096994645.db2.gz BAWCJTQLHPOMRT-KBXCAEBGSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001481960147 1097009252 /nfs/dbraw/zinc/00/92/52/1097009252.db2.gz BKQIUYLGWCSQBM-YOEHRIQHSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014471 1099362175 /nfs/dbraw/zinc/36/21/75/1099362175.db2.gz RDUDHHGDNWWUAL-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742509 1099481303 /nfs/dbraw/zinc/48/13/03/1099481303.db2.gz MSPWVOLONLYSAC-HZPDHXFCSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742508 1099481732 /nfs/dbraw/zinc/48/17/32/1099481732.db2.gz MSPWVOLONLYSAC-HOTGVXAUSA-N 2 0 341.927 2.735 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573071 1100540693 /nfs/dbraw/zinc/54/06/93/1100540693.db2.gz RPJINMKZRFOWDS-YSIASYRMSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001105395950 1100569695 /nfs/dbraw/zinc/56/96/95/1100569695.db2.gz GCVPRMQHOVYBPB-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396642 1100587485 /nfs/dbraw/zinc/58/74/85/1100587485.db2.gz QZERNVRGBFRJQO-FQEVSTJZSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396769 1100593117 /nfs/dbraw/zinc/59/31/17/1100593117.db2.gz VISJUGLYEPCXGY-LJQANCHMSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728471 1100705901 /nfs/dbraw/zinc/70/59/01/1100705901.db2.gz YOBKNTSWRXPENG-VQTJNVASSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792206 1100776069 /nfs/dbraw/zinc/77/60/69/1100776069.db2.gz SDBDTRRXVZAFPU-OTWHNJEPSA-N 2 0 333.520 2.633 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845270 1100865011 /nfs/dbraw/zinc/86/50/11/1100865011.db2.gz QFTVHNAYIJOCTP-ZWKOTPCHSA-N 2 0 345.487 2.727 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992252 1101165193 /nfs/dbraw/zinc/16/51/93/1101165193.db2.gz LPGGVQRUNGFIJH-AQNXPRMDSA-N 2 0 347.547 2.711 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993792 1101167360 /nfs/dbraw/zinc/16/73/60/1101167360.db2.gz DBDRBZUBLZNWDP-HBFSDRIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993910 1101168558 /nfs/dbraw/zinc/16/85/58/1101168558.db2.gz JIMINAKBTLAWDM-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021126 1101207301 /nfs/dbraw/zinc/20/73/01/1101207301.db2.gz VACXKHWVFHIKDM-MSOLQXFVSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077289 1101382767 /nfs/dbraw/zinc/38/27/67/1101382767.db2.gz SJVQXTJXKWKBKB-AQNXPRMDSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385404 1101388522 /nfs/dbraw/zinc/38/85/22/1101388522.db2.gz BMEPTDXFEMMERA-MRXNPFEDSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001112496013 1101445036 /nfs/dbraw/zinc/44/50/36/1101445036.db2.gz DOMONBUVPLRQMG-HKUYNNGSSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104311176 1101573096 /nfs/dbraw/zinc/57/30/96/1101573096.db2.gz VWGMVUJQNYOODW-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166705 1101728425 /nfs/dbraw/zinc/72/84/25/1101728425.db2.gz OLGYMMAOVHQXNK-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112181880 1101964071 /nfs/dbraw/zinc/96/40/71/1101964071.db2.gz BQNCKBMDZASFNY-RBSFLKMASA-N 2 0 349.441 2.662 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232532 1102097215 /nfs/dbraw/zinc/09/72/15/1102097215.db2.gz GJPXZXLMPWHERI-IBGZPJMESA-N 2 0 339.499 2.651 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001104369900 1102339549 /nfs/dbraw/zinc/33/95/49/1102339549.db2.gz KKXXVRVUOGSQMX-QZTJIDSGSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001104256723 1102363546 /nfs/dbraw/zinc/36/35/46/1102363546.db2.gz NCEKIFWXILCBLI-HUUCEWRRSA-N 2 0 335.517 2.684 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000073436928 1102394219 /nfs/dbraw/zinc/39/42/19/1102394219.db2.gz LFFBDBNTNMCLBH-FQEVSTJZSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001104274253 1102430950 /nfs/dbraw/zinc/43/09/50/1102430950.db2.gz KHDJHPMANYZYDF-BRWVUGGUSA-N 2 0 332.492 2.771 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506720 1102439616 /nfs/dbraw/zinc/43/96/16/1102439616.db2.gz BNRMNCKZKXZMBD-PXNSSMCTSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491337 1102755032 /nfs/dbraw/zinc/75/50/32/1102755032.db2.gz QUYACYVLMMKBQW-ZJOUEHCJSA-N 2 0 345.531 2.655 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001088314778 1102866826 /nfs/dbraw/zinc/86/68/26/1102866826.db2.gz GSCBPLZRLLZOBS-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001088317340 1102883497 /nfs/dbraw/zinc/88/34/97/1102883497.db2.gz ZARLQLIPYKBOQX-YESZJQIVSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330990 1102955412 /nfs/dbraw/zinc/95/54/12/1102955412.db2.gz NCYLVSIZRBBJJP-HOTGVXAUSA-N 2 0 329.916 2.686 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367239 1103194492 /nfs/dbraw/zinc/19/44/92/1103194492.db2.gz FRRATEZCBRFKIA-QUCCMNQESA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001271954091 1103239965 /nfs/dbraw/zinc/23/99/65/1103239965.db2.gz QHBKKCSVELQVMB-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)C[NH+](C[C@@H](CC)CCCC)C2 ZINC001271954113 1103240078 /nfs/dbraw/zinc/24/00/78/1103240078.db2.gz QJRWAGHWTQZFSN-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088381330 1103337210 /nfs/dbraw/zinc/33/72/10/1103337210.db2.gz BVIDTMAMAGAKCC-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001088414426 1103500129 /nfs/dbraw/zinc/50/01/29/1103500129.db2.gz GRZQXGQYCGWNLW-MRXNPFEDSA-N 2 0 330.476 2.698 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)Cn2ccnc2C)CC1 ZINC001168153522 1104012529 /nfs/dbraw/zinc/01/25/29/1104012529.db2.gz LJCZJEYZLYODQG-UHFFFAOYSA-N 2 0 332.492 2.814 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001105438943 1104100513 /nfs/dbraw/zinc/10/05/13/1104100513.db2.gz SAARURCKLVYWJY-IRFCIJBXSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001105446715 1104207810 /nfs/dbraw/zinc/20/78/10/1104207810.db2.gz RAFCSBCDFCADJG-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP CC(C)(C)c1ccc(-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)c(C#N)c1 ZINC001212168987 1104248179 /nfs/dbraw/zinc/24/81/79/1104248179.db2.gz PBJAYDIRLQGSFV-UHFFFAOYSA-N 2 0 339.443 2.529 20 30 EFEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001101590391 1104489523 /nfs/dbraw/zinc/48/95/23/1104489523.db2.gz OHSOUVHLVNLCGB-UHFFFAOYSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542499 1105900502 /nfs/dbraw/zinc/90/05/02/1105900502.db2.gz WSHAQEVSSFYOPU-SFHVURJKSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556416 1105931078 /nfs/dbraw/zinc/93/10/78/1105931078.db2.gz FNBXUZMJIXEFMI-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(Cl)C[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105560632 1105937968 /nfs/dbraw/zinc/93/79/68/1105937968.db2.gz AKKMSKGWDCOPIX-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105578952 1105973232 /nfs/dbraw/zinc/97/32/32/1105973232.db2.gz IKCPUVGWYNWUGJ-IBGZPJMESA-N 2 0 345.531 2.637 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989448728 1106176932 /nfs/dbraw/zinc/17/69/32/1106176932.db2.gz WUPUHOGIBMVPJC-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989448731 1106176954 /nfs/dbraw/zinc/17/69/54/1106176954.db2.gz WUPUHOGIBMVPJC-VQIMIIECSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989450593 1106202661 /nfs/dbraw/zinc/20/26/61/1106202661.db2.gz OGEMILSFCMWMIY-QAPCUYQASA-N 2 0 349.906 2.736 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(CC)CC)CC2)CC1 ZINC001168308454 1106529531 /nfs/dbraw/zinc/52/95/31/1106529531.db2.gz SMDKPKRROZUMFG-UHFFFAOYSA-N 2 0 347.547 2.644 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319773 1106688037 /nfs/dbraw/zinc/68/80/37/1106688037.db2.gz XXWICLPRTWJIFF-GHBBCFCZSA-N 2 0 336.520 2.933 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319774 1106688088 /nfs/dbraw/zinc/68/80/88/1106688088.db2.gz XXWICLPRTWJIFF-GUMHCPJTSA-N 2 0 336.520 2.933 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168321651 1106719445 /nfs/dbraw/zinc/71/94/45/1106719445.db2.gz JSQKTNKIGNHFEY-AFMYVXGZSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862520 1106761866 /nfs/dbraw/zinc/76/18/66/1106761866.db2.gz DINHLIJJGSYSDB-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991015039 1106874500 /nfs/dbraw/zinc/87/45/00/1106874500.db2.gz BSQDDHIQLPAHTN-CMKODMSKSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070379 1107405771 /nfs/dbraw/zinc/40/57/71/1107405771.db2.gz ALGZPXUIRMDEPX-WBVHZDCISA-N 2 0 333.476 2.890 20 30 EFEDRP C[C@@]1(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CCC[NH2+]C1 ZINC000904375482 1107888478 /nfs/dbraw/zinc/88/84/78/1107888478.db2.gz ATOJMVZPXPUKMH-HXUWFJFHSA-N 2 0 326.488 2.502 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990613392 1108390812 /nfs/dbraw/zinc/39/08/12/1108390812.db2.gz JUBSSYZYXJIPCQ-QWFCFKBJSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133237 1108523263 /nfs/dbraw/zinc/52/32/63/1108523263.db2.gz HJCQYBUIPRUHAA-GUDVDZBRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143231 1108643090 /nfs/dbraw/zinc/64/30/90/1108643090.db2.gz YVIUNBQZLFWZJU-MISYRCLQSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766523 1109231035 /nfs/dbraw/zinc/23/10/35/1109231035.db2.gz VXOCLRVFLYTHON-HLNWXESRSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249237 1111218347 /nfs/dbraw/zinc/21/83/47/1111218347.db2.gz DHLRHYLKMCGLBT-DJIMGWMZSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357898 1111455031 /nfs/dbraw/zinc/45/50/31/1111455031.db2.gz PDOICCDOMOTKJG-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229213 1111563327 /nfs/dbraw/zinc/56/33/27/1111563327.db2.gz HRIRHULITQGTIT-ZWKOTPCHSA-N 2 0 335.536 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106477669 1111568770 /nfs/dbraw/zinc/56/87/70/1111568770.db2.gz NJCHXPJRMBMNCN-GDBMZVCRSA-N 2 0 341.927 2.688 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099239541 1111670247 /nfs/dbraw/zinc/67/02/47/1111670247.db2.gz GRCQZYVFXILXDT-KRWDZBQOSA-N 2 0 335.536 2.594 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665522 1111708419 /nfs/dbraw/zinc/70/84/19/1111708419.db2.gz ZSAIECIWWXCIOR-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106667424 1111709899 /nfs/dbraw/zinc/70/98/99/1111709899.db2.gz ZHLPALJRSSFPKU-YLJYHZDGSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765724 1111812396 /nfs/dbraw/zinc/81/23/96/1111812396.db2.gz PQIKEOBAAKNSFE-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825465 1111885413 /nfs/dbraw/zinc/88/54/13/1111885413.db2.gz SZSUEUVQRSXMAD-RHSMWYFYSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860044 1111915643 /nfs/dbraw/zinc/91/56/43/1111915643.db2.gz GKYDOBBBZVOWQT-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386653 1112047940 /nfs/dbraw/zinc/04/79/40/1112047940.db2.gz RXVNZAOMNLDXLE-RTBURBONSA-N 2 0 347.547 2.901 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385807 1112049084 /nfs/dbraw/zinc/04/90/84/1112049084.db2.gz JTNUNTBJGAMHJY-SFHVURJKSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390434 1112055960 /nfs/dbraw/zinc/05/59/60/1112055960.db2.gz FAJKGDDGVGOZAG-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445623 1112157980 /nfs/dbraw/zinc/15/79/80/1112157980.db2.gz KPUYANRGJPALRA-ZWKOTPCHSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089476563 1112199868 /nfs/dbraw/zinc/19/98/68/1112199868.db2.gz HNSLODKHFVOAFD-KRWDZBQOSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484634 1112217338 /nfs/dbraw/zinc/21/73/38/1112217338.db2.gz YWEAAPTYOWABGC-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511354 1112255539 /nfs/dbraw/zinc/25/55/39/1112255539.db2.gz RJROUOONIJKPPE-RBUKOAKNSA-N 2 0 347.547 2.879 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536309 1112275845 /nfs/dbraw/zinc/27/58/45/1112275845.db2.gz BBOXWZDQRKHCDU-HZPDHXFCSA-N 2 0 341.927 2.688 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)CC(C)(C)C2)CC1 ZINC001089560596 1112308849 /nfs/dbraw/zinc/30/88/49/1112308849.db2.gz BRGDHKCPRYDLJX-LJQANCHMSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673641 1112349450 /nfs/dbraw/zinc/34/94/50/1112349450.db2.gz RHBYNMKLKPLGMV-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641781 1112434671 /nfs/dbraw/zinc/43/46/71/1112434671.db2.gz SPFVDUOZZFMXEF-QZTJIDSGSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664301 1112613847 /nfs/dbraw/zinc/61/38/47/1112613847.db2.gz IWDBMFBZTOGBFH-QGZVFWFLSA-N 2 0 338.455 2.578 20 30 EFEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671438 1112660806 /nfs/dbraw/zinc/66/08/06/1112660806.db2.gz RXRACIHZEJMIAQ-SFHVURJKSA-N 2 0 338.455 2.578 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484137835 1112810719 /nfs/dbraw/zinc/81/07/19/1112810719.db2.gz JYPHPYOLACHPIG-UHFFFAOYSA-N 2 0 339.911 2.586 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089705772 1112857960 /nfs/dbraw/zinc/85/79/60/1112857960.db2.gz JJBIZSRNCUQHCF-RTBURBONSA-N 2 0 347.547 2.879 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089845164 1118241428 /nfs/dbraw/zinc/24/14/28/1118241428.db2.gz DCBUILSMDYTHBU-MANSERQUSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272701959 1118661342 /nfs/dbraw/zinc/66/13/42/1118661342.db2.gz MFBWMUJHIDBUPZ-FQEVSTJZSA-N 2 0 349.519 2.526 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435465 1118802103 /nfs/dbraw/zinc/80/21/03/1118802103.db2.gz LTUIDDHQLJNPPW-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942723992 1119087055 /nfs/dbraw/zinc/08/70/55/1119087055.db2.gz RUTQPGZLMIPUCK-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943519951 1119534359 /nfs/dbraw/zinc/53/43/59/1119534359.db2.gz ZYGPRUHEUFKFQZ-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944044866 1119890507 /nfs/dbraw/zinc/89/05/07/1119890507.db2.gz AWKKKVLCUVRXCO-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945091561 1120567779 /nfs/dbraw/zinc/56/77/79/1120567779.db2.gz OKSKPUXTEYQHTH-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033418 1120756824 /nfs/dbraw/zinc/75/68/24/1120756824.db2.gz AXGZQSGROKPZMD-DOTOQJQBSA-N 2 0 344.503 2.925 20 30 EFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859745 234355700 /nfs/dbraw/zinc/35/57/00/234355700.db2.gz VSURJESLWGEGBG-LEWJYISDSA-N 2 0 340.515 2.985 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262374518 240349190 /nfs/dbraw/zinc/34/91/90/240349190.db2.gz JFXJLKRXSVXRAW-FCFHUKJJSA-N 2 0 340.515 2.798 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)C(C)C ZINC000262635789 240362918 /nfs/dbraw/zinc/36/29/18/240362918.db2.gz HWSWPRSBDNGVGN-MOPGFXCFSA-N 2 0 329.488 2.810 20 30 EFEDRP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1F ZINC000262683032 240365694 /nfs/dbraw/zinc/36/56/94/240365694.db2.gz XCCPFVJYLXASRJ-CZUORRHYSA-N 2 0 336.842 2.542 20 30 EFEDRP C[NH+]=C(NCc1ccccn1)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262748336 240366688 /nfs/dbraw/zinc/36/66/88/240366688.db2.gz GGFVIZAZMZWIAX-QFBILLFUSA-N 2 0 337.471 2.582 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000262768318 240368098 /nfs/dbraw/zinc/36/80/98/240368098.db2.gz LGBRUHMVXSOUPK-INIZCTEOSA-N 2 0 344.459 2.591 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C(C)C ZINC000272859347 201258246 /nfs/dbraw/zinc/25/82/46/201258246.db2.gz VEBOUQHYSCMCTE-PKOBYXMFSA-N 2 0 348.535 2.635 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C(C)C ZINC000272859330 201259350 /nfs/dbraw/zinc/25/93/50/201259350.db2.gz VEBOUQHYSCMCTE-HKUYNNGSSA-N 2 0 348.535 2.635 20 30 EFEDRP [NH2+]=C(NCCCn1ccnc1)Nc1ccccc1OC(F)(F)F ZINC000160591074 239052962 /nfs/dbraw/zinc/05/29/62/239052962.db2.gz HAATYMHODJQAEX-UHFFFAOYSA-N 2 0 327.310 2.599 20 30 EFEDRP C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)CCO1 ZINC000161548086 239072649 /nfs/dbraw/zinc/07/26/49/239072649.db2.gz WPISUGABDZEOHV-MRXNPFEDSA-N 2 0 338.455 2.834 20 30 EFEDRP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000277706616 201302604 /nfs/dbraw/zinc/30/26/04/201302604.db2.gz IIFLBMWISARZMZ-KRWDZBQOSA-N 2 0 348.487 2.851 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654408 201305691 /nfs/dbraw/zinc/30/56/91/201305691.db2.gz SSITYCIWHRWDNN-ZWKOTPCHSA-N 2 0 330.472 2.850 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000277823489 201307831 /nfs/dbraw/zinc/30/78/31/201307831.db2.gz LEHXFBYOMQTFCZ-GOSISDBHSA-N 2 0 330.472 2.679 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccn1 ZINC000170911500 239134465 /nfs/dbraw/zinc/13/44/65/239134465.db2.gz SSUFPQOJQJJLIC-AWEZNQCLSA-N 2 0 329.473 2.782 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C(C)C ZINC000279012877 201313897 /nfs/dbraw/zinc/31/38/97/201313897.db2.gz LSMSPJDHKNXABI-LJQANCHMSA-N 2 0 333.520 2.676 20 30 EFEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000177506947 239376011 /nfs/dbraw/zinc/37/60/11/239376011.db2.gz ATXVJGQDJSLFDL-CALCHBBNSA-N 2 0 339.549 2.845 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)C(C)C ZINC000192519697 240050397 /nfs/dbraw/zinc/05/03/97/240050397.db2.gz IRTXFLRFYALUJA-ICSRJNTNSA-N 2 0 329.488 2.675 20 30 EFEDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CC[NH+](C)CC1 ZINC000194262007 240146959 /nfs/dbraw/zinc/14/69/59/240146959.db2.gz ACYHLARIENXOOR-YLJYHZDGSA-N 2 0 344.503 2.512 20 30 EFEDRP Cc1ncc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000262017332 240341786 /nfs/dbraw/zinc/34/17/86/240341786.db2.gz WOIHNRLTQTZKFA-UHFFFAOYSA-N 2 0 343.500 2.520 20 30 EFEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227662 242219193 /nfs/dbraw/zinc/21/91/93/242219193.db2.gz HCRYOXUFHNHZRY-AZUAARDMSA-N 2 0 337.552 2.754 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000363785347 242281835 /nfs/dbraw/zinc/28/18/35/242281835.db2.gz OVUDKUNMKSEZJX-PKOBYXMFSA-N 2 0 341.499 2.518 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000072725495 203244066 /nfs/dbraw/zinc/24/40/66/203244066.db2.gz WKRJYYXFYMPFOI-GOSISDBHSA-N 2 0 328.460 2.693 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417059157 245001168 /nfs/dbraw/zinc/00/11/68/245001168.db2.gz HKXWSWCRADZBNQ-RCCFBDPRSA-N 2 0 336.524 2.502 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)CC1 ZINC000158384876 205313505 /nfs/dbraw/zinc/31/35/05/205313505.db2.gz XFEXLVDEVXEAHU-UHFFFAOYSA-N 2 0 339.483 2.942 20 30 EFEDRP CN(c1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000424201310 246696561 /nfs/dbraw/zinc/69/65/61/246696561.db2.gz RPQYXLWMSZNROD-FUHWJXTLSA-N 2 0 326.488 2.999 20 30 EFEDRP Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000443965246 250241273 /nfs/dbraw/zinc/24/12/73/250241273.db2.gz MULKYKHPNUBZSP-UHFFFAOYSA-N 2 0 348.494 2.904 20 30 EFEDRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000443998526 250247629 /nfs/dbraw/zinc/24/76/29/250247629.db2.gz VEVXSNAGTUIANU-OAQYLSRUSA-N 2 0 335.451 2.723 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343557441 145237595 /nfs/dbraw/zinc/23/75/95/145237595.db2.gz VRXSUDUHFTWPRE-XLIONFOSSA-N 2 0 329.488 2.827 20 30 EFEDRP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143986 145378452 /nfs/dbraw/zinc/37/84/52/145378452.db2.gz SKLOJIIALNHMMT-UWJYYQICSA-N 2 0 335.451 2.846 20 30 EFEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000368333829 150096124 /nfs/dbraw/zinc/09/61/24/150096124.db2.gz SBBYRPDFLMQYKT-UHFFFAOYSA-N 2 0 344.478 2.547 20 30 EFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375543968 287141952 /nfs/dbraw/zinc/14/19/52/287141952.db2.gz BYJSHJUDQDTWQS-IRXDYDNUSA-N 2 0 326.488 2.720 20 30 EFEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000113330916 544569985 /nfs/dbraw/zinc/56/99/85/544569985.db2.gz QRFLWULAYWUIDO-UHFFFAOYSA-N 2 0 338.451 2.929 20 30 EFEDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1 ZINC000271962098 266107860 /nfs/dbraw/zinc/10/78/60/266107860.db2.gz UOFSLBZGVAGEPE-DNVCBOLYSA-N 2 0 332.467 2.620 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211307 266154707 /nfs/dbraw/zinc/15/47/07/266154707.db2.gz WAJFNMSCJLJKDU-QAPCUYQASA-N 2 0 328.460 2.691 20 30 EFEDRP C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000285769151 267163433 /nfs/dbraw/zinc/16/34/33/267163433.db2.gz SQYICWOXRNBWST-QGZVFWFLSA-N 2 0 326.488 2.849 20 30 EFEDRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000271872519 267181490 /nfs/dbraw/zinc/18/14/90/267181490.db2.gz NDRGLNBYUPIJJM-SFHVURJKSA-N 2 0 349.482 2.816 20 30 EFEDRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C#N)cc1 ZINC000278168366 267358179 /nfs/dbraw/zinc/35/81/79/267358179.db2.gz CHIGLDRLNBAOEJ-HXUWFJFHSA-N 2 0 349.482 2.946 20 30 EFEDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000278264537 267383520 /nfs/dbraw/zinc/38/35/20/267383520.db2.gz OIQIDDNJRPYNJQ-FQEVSTJZSA-N 2 0 349.482 2.946 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000285511106 268107613 /nfs/dbraw/zinc/10/76/13/268107613.db2.gz DITVKYKOGXYNDU-UHFFFAOYSA-N 2 0 326.488 2.993 20 30 EFEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360834951 276199425 /nfs/dbraw/zinc/19/94/25/276199425.db2.gz JORDKGAYEPLVPH-UTKZUKDTSA-N 2 0 340.515 2.941 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)C(C)C ZINC000192519648 277852313 /nfs/dbraw/zinc/85/23/13/277852313.db2.gz IRTXFLRFYALUJA-UYAOXDASSA-N 2 0 329.488 2.675 20 30 EFEDRP C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411419628 288156390 /nfs/dbraw/zinc/15/63/90/288156390.db2.gz TXOMTHLJZSPHGP-RTBURBONSA-N 2 0 332.536 2.808 20 30 EFEDRP CO[C@@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460365 294130036 /nfs/dbraw/zinc/13/00/36/294130036.db2.gz ZXLPWAZMOXTLDT-PMACEKPBSA-N 2 0 336.520 2.772 20 30 EFEDRP C[N@H+](CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000327373976 311245219 /nfs/dbraw/zinc/24/52/19/311245219.db2.gz MOGVXGGKAUNCJW-IBGZPJMESA-N 2 0 345.487 2.542 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000554981606 318342450 /nfs/dbraw/zinc/34/24/50/318342450.db2.gz DTKILKFHLQBQSS-VAMGGRTRSA-N 2 0 325.456 2.513 20 30 EFEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000555552583 318361137 /nfs/dbraw/zinc/36/11/37/318361137.db2.gz RACGSVAODZCKQZ-UHFFFAOYSA-N 2 0 348.454 2.733 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000582666757 324644020 /nfs/dbraw/zinc/64/40/20/324644020.db2.gz BFVIEXSNABZARR-UHFFFAOYSA-N 2 0 334.467 2.771 20 30 EFEDRP C[N@@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305353 /nfs/dbraw/zinc/30/53/53/473305353.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 2 0 326.488 2.550 20 30 EFEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000083029965 473314707 /nfs/dbraw/zinc/31/47/07/473314707.db2.gz QAEJBZRDKAAZNA-QGZVFWFLSA-N 2 0 330.476 2.681 20 30 EFEDRP CC1CC[NH+](CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083031793 473315726 /nfs/dbraw/zinc/31/57/26/473315726.db2.gz OUYBTJYIOHZUAA-GOSISDBHSA-N 2 0 344.503 2.927 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC000083034006 473316850 /nfs/dbraw/zinc/31/68/50/473316850.db2.gz NSJRHBUANNMSID-RDJZCZTQSA-N 2 0 330.476 2.535 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083034087 473316867 /nfs/dbraw/zinc/31/68/67/473316867.db2.gz XANSZSJKDGTFFJ-DOTOQJQBSA-N 2 0 330.476 2.535 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171408378 473379990 /nfs/dbraw/zinc/37/99/90/473379990.db2.gz ZQLICIJHLZWPRF-SFHVURJKSA-N 2 0 340.471 2.509 20 30 EFEDRP C#CCSCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150970367 473389036 /nfs/dbraw/zinc/38/90/36/473389036.db2.gz SXBFOYUHDJAPOR-UHFFFAOYSA-N 2 0 331.529 2.673 20 30 EFEDRP C#CCNC(=[NH+]CC)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119471674 472558368 /nfs/dbraw/zinc/55/83/68/472558368.db2.gz JRIXWAFWTBLUSD-PMACEKPBSA-N 2 0 338.499 2.572 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(C(C)(C)C)ccc1C#N ZINC000613426106 479995729 /nfs/dbraw/zinc/99/57/29/479995729.db2.gz MVVYKLCFEHHMRZ-UHFFFAOYSA-N 2 0 345.535 2.961 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000103337620 472627036 /nfs/dbraw/zinc/62/70/36/472627036.db2.gz OROJARPEFIUFHG-SFHVURJKSA-N 2 0 326.444 2.782 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000120233045 472653537 /nfs/dbraw/zinc/65/35/37/472653537.db2.gz BFRSSAHQFIDGSH-IRXDYDNUSA-N 2 0 329.488 2.699 20 30 EFEDRP CCCOCc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000104174967 472660036 /nfs/dbraw/zinc/66/00/36/472660036.db2.gz QGNLNYJYAYMNLR-GOSISDBHSA-N 2 0 332.492 2.502 20 30 EFEDRP C=CCCOCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000120855443 472758161 /nfs/dbraw/zinc/75/81/61/472758161.db2.gz GWUPAVOIOFWKGC-UHFFFAOYSA-N 2 0 331.504 2.899 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000106256154 472835768 /nfs/dbraw/zinc/83/57/68/472835768.db2.gz VDNKTBKLJCAMSI-UHFFFAOYSA-N 2 0 336.524 2.591 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000106340821 472842083 /nfs/dbraw/zinc/84/20/83/472842083.db2.gz AYZSONSEUCNPOC-IBGZPJMESA-N 2 0 348.535 2.687 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043474 472847304 /nfs/dbraw/zinc/84/73/04/472847304.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 2 0 326.488 2.953 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710699 472858620 /nfs/dbraw/zinc/85/86/20/472858620.db2.gz KBSITDKRUCCTOJ-CEXWTWQISA-N 2 0 348.535 2.563 20 30 EFEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccccc1Cl ZINC000073763041 472870605 /nfs/dbraw/zinc/87/06/05/472870605.db2.gz CSZLHWHYDCDBLH-CQSZACIVSA-N 2 0 334.895 2.832 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000048714868 472903103 /nfs/dbraw/zinc/90/31/03/472903103.db2.gz SJKOXYXSCXOTPF-UHFFFAOYSA-N 2 0 348.494 2.986 20 30 EFEDRP C=C(C)COCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092411979 472908683 /nfs/dbraw/zinc/90/86/83/472908683.db2.gz MARIKUUTNGHOPW-UHFFFAOYSA-N 2 0 337.895 2.774 20 30 EFEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121798292 472916978 /nfs/dbraw/zinc/91/69/78/472916978.db2.gz ROXZNYDDVMKHRR-GOSISDBHSA-N 2 0 348.535 2.583 20 30 EFEDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OCCCC#N ZINC000108428598 473026648 /nfs/dbraw/zinc/02/66/48/473026648.db2.gz WPRCQZYFXXVHSA-QGZVFWFLSA-N 2 0 331.460 2.809 20 30 EFEDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OCCCC#N ZINC000108428600 473027009 /nfs/dbraw/zinc/02/70/09/473027009.db2.gz WPRCQZYFXXVHSA-KRWDZBQOSA-N 2 0 331.460 2.809 20 30 EFEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123158335 473104433 /nfs/dbraw/zinc/10/44/33/473104433.db2.gz FBTCFKRCTRGGEH-INIZCTEOSA-N 2 0 342.487 2.939 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597869 473121233 /nfs/dbraw/zinc/12/12/33/473121233.db2.gz ZCWLZVKXWRYSTD-LJQANCHMSA-N 2 0 326.488 2.954 20 30 EFEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@@H](C)O1 ZINC000093844285 473152493 /nfs/dbraw/zinc/15/24/93/473152493.db2.gz ZTZRYWDIJHSZGY-HZPDHXFCSA-N 2 0 331.460 2.863 20 30 EFEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000093844284 473153169 /nfs/dbraw/zinc/15/31/69/473153169.db2.gz ZTZRYWDIJHSZGY-HOTGVXAUSA-N 2 0 331.460 2.863 20 30 EFEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185775326 473510783 /nfs/dbraw/zinc/51/07/83/473510783.db2.gz XYHBEJKVFGQKDL-SFTDATJTSA-N 2 0 340.515 2.866 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185782147 473512297 /nfs/dbraw/zinc/51/22/97/473512297.db2.gz QGBQXAMXPBUSCR-NHCUHLMSSA-N 2 0 340.515 2.996 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185782129 473513063 /nfs/dbraw/zinc/51/30/63/473513063.db2.gz QGBQXAMXPBUSCR-SFTDATJTSA-N 2 0 340.515 2.996 20 30 EFEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152479623 473566952 /nfs/dbraw/zinc/56/69/52/473566952.db2.gz IWPLKGROXRDDNF-ZWKOTPCHSA-N 2 0 342.487 2.595 20 30 EFEDRP C[NH+](C)C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000153901609 473648515 /nfs/dbraw/zinc/64/85/15/473648515.db2.gz MBXRKKRDFYVTKQ-OAHLLOKOSA-N 2 0 326.362 2.820 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681256 473732806 /nfs/dbraw/zinc/73/28/06/473732806.db2.gz LRJLLXUQDPAKLZ-VQIMIIECSA-N 2 0 344.503 2.627 20 30 EFEDRP C[C@H](NC(=[NH2+])NCCn1ccnc1)c1ccc(Cl)cc1Cl ZINC000263242436 473746514 /nfs/dbraw/zinc/74/65/14/473746514.db2.gz LQZMHRKAPHPIBD-JTQLQIEISA-N 2 0 326.231 2.855 20 30 EFEDRP N#Cc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246282972 473815463 /nfs/dbraw/zinc/81/54/63/473815463.db2.gz BBDBYLNSFPTGAI-FXAWDEMLSA-N 2 0 325.456 2.886 20 30 EFEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936324 473889075 /nfs/dbraw/zinc/88/90/75/473889075.db2.gz IMYBCXOYHSLMKJ-LPHOPBHVSA-N 2 0 338.455 2.596 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000264106082 473950437 /nfs/dbraw/zinc/95/04/37/473950437.db2.gz NUXKCFQIRGUSMJ-OAHLLOKOSA-N 2 0 334.464 2.551 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000264125564 473951886 /nfs/dbraw/zinc/95/18/86/473951886.db2.gz SCFILNMKDKBDAA-UHFFFAOYSA-N 2 0 342.443 2.562 20 30 EFEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)C[C@@H](C)O1 ZINC000264122993 473952163 /nfs/dbraw/zinc/95/21/63/473952163.db2.gz RLFZSGRMLYZIKT-HZPDHXFCSA-N 2 0 344.503 2.643 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000264119753 473952386 /nfs/dbraw/zinc/95/23/86/473952386.db2.gz QQDLCBQYFXPIHR-UHFFFAOYSA-N 2 0 342.443 2.562 20 30 EFEDRP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000180988325 473996111 /nfs/dbraw/zinc/99/61/11/473996111.db2.gz YQIHWQPGRAAXRB-NRFANRHFSA-N 2 0 335.451 2.805 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000180988173 473997090 /nfs/dbraw/zinc/99/70/90/473997090.db2.gz VXRTVFZRSJYBGR-QGZVFWFLSA-N 2 0 341.480 2.866 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000181480890 474038172 /nfs/dbraw/zinc/03/81/72/474038172.db2.gz LZTIHWSHTRXVNC-LJQANCHMSA-N 2 0 338.499 2.597 20 30 EFEDRP C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181639381 474053388 /nfs/dbraw/zinc/05/33/88/474053388.db2.gz VFLLJRBDGDCZCO-FUHWJXTLSA-N 2 0 349.494 2.945 20 30 EFEDRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270562242 474170386 /nfs/dbraw/zinc/17/03/86/474170386.db2.gz KDWXRTDGNDTHSY-WFASDCNBSA-N 2 0 326.847 2.786 20 30 EFEDRP C=CC[NH+]1CCC(NCc2cn3ccc(Br)cc3n2)CC1 ZINC000289519805 474306968 /nfs/dbraw/zinc/30/69/68/474306968.db2.gz NSAGUHOCKCVFJZ-UHFFFAOYSA-N 2 0 349.276 2.837 20 30 EFEDRP C[C@@H]1C[N@@H+](CCC2CCN(C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000175796756 474311135 /nfs/dbraw/zinc/31/11/35/474311135.db2.gz WNZQBZXCVVTFDD-SCTDSRPQSA-N 2 0 332.492 2.641 20 30 EFEDRP CC1CCN(C(=[NH2+])NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000283804617 474499218 /nfs/dbraw/zinc/49/92/18/474499218.db2.gz AYFAQIJASHVUBZ-UHFFFAOYSA-N 2 0 344.503 2.706 20 30 EFEDRP CC(C)[N@H+](C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266974936 474552523 /nfs/dbraw/zinc/55/25/23/474552523.db2.gz IIZFBRCSOKIKRC-UHFFFAOYSA-N 2 0 330.398 2.840 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000249460232 474575434 /nfs/dbraw/zinc/57/54/34/474575434.db2.gz QQIWTSMDVRGRAY-HKUYNNGSSA-N 2 0 345.487 2.664 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290563714 474577387 /nfs/dbraw/zinc/57/73/87/474577387.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 2 0 326.488 2.953 20 30 EFEDRP C[NH+]1CCC(C)(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000272351085 474607941 /nfs/dbraw/zinc/60/79/41/474607941.db2.gz CINFEBDUIIFWQH-UHFFFAOYSA-N 2 0 342.409 2.842 20 30 EFEDRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478477 474656138 /nfs/dbraw/zinc/65/61/38/474656138.db2.gz KJNHDUTWLHBTLS-IRXDYDNUSA-N 2 0 331.460 2.740 20 30 EFEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339014330 474835288 /nfs/dbraw/zinc/83/52/88/474835288.db2.gz RFFOQTZXAVWEGI-QUCCMNQESA-N 2 0 332.536 2.807 20 30 EFEDRP C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)N1 ZINC000285205098 474928166 /nfs/dbraw/zinc/92/81/66/474928166.db2.gz WIXWZBVKYVLKIJ-QGZVFWFLSA-N 2 0 328.504 2.659 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000341111045 474983722 /nfs/dbraw/zinc/98/37/22/474983722.db2.gz VRPOSRDFLYFNJA-LJQANCHMSA-N 2 0 348.535 2.591 20 30 EFEDRP CCC(=O)N[C@H]1CCCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329760359 475128632 /nfs/dbraw/zinc/12/86/32/475128632.db2.gz QBRFJGWBNMBTEX-INIZCTEOSA-N 2 0 327.432 2.907 20 30 EFEDRP CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330244212 475217358 /nfs/dbraw/zinc/21/73/58/475217358.db2.gz CZMMQHKJEYEWJF-ZACQAIPSSA-N 2 0 345.491 2.971 20 30 EFEDRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000330297166 475224556 /nfs/dbraw/zinc/22/45/56/475224556.db2.gz KQZUFVHSUUGKPH-QGZVFWFLSA-N 2 0 345.491 2.686 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000347552118 475322804 /nfs/dbraw/zinc/32/28/04/475322804.db2.gz LBAQOWOQCAPWSN-LJQANCHMSA-N 2 0 327.472 2.718 20 30 EFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266422 475542570 /nfs/dbraw/zinc/54/25/70/475542570.db2.gz ADVUVWDGOOQNKP-KRWDZBQOSA-N 2 0 340.471 2.551 20 30 EFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000348266423 475543177 /nfs/dbraw/zinc/54/31/77/475543177.db2.gz ADVUVWDGOOQNKP-QGZVFWFLSA-N 2 0 340.471 2.551 20 30 EFEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000352720063 475562601 /nfs/dbraw/zinc/56/26/01/475562601.db2.gz QNLKQZYUTWRSDJ-UHFFFAOYSA-N 2 0 348.494 2.808 20 30 EFEDRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000347011104 476030594 /nfs/dbraw/zinc/03/05/94/476030594.db2.gz IVENKFAQFMHVTL-MRXNPFEDSA-N 2 0 344.503 2.615 20 30 EFEDRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353666622 476171283 /nfs/dbraw/zinc/17/12/83/476171283.db2.gz RBEUYVFIZJQXOD-LJQANCHMSA-N 2 0 336.439 2.671 20 30 EFEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360885533 476455266 /nfs/dbraw/zinc/45/52/66/476455266.db2.gz SONREULQNGMYEJ-UWJYYQICSA-N 2 0 340.515 2.941 20 30 EFEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000363642745 476473330 /nfs/dbraw/zinc/47/33/30/476473330.db2.gz DWOSQRFMASVTOU-IRXDYDNUSA-N 2 0 327.472 2.879 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000430544926 476852579 /nfs/dbraw/zinc/85/25/79/476852579.db2.gz PFWGNBJRPWYYSJ-MRXNPFEDSA-N 2 0 349.544 2.973 20 30 EFEDRP C=CCOc1c(Br)cc(C[NH2+]CCCC[NH3+])cc1OC ZINC000414900329 476895869 /nfs/dbraw/zinc/89/58/69/476895869.db2.gz HBTDEQCQIGHPOA-UHFFFAOYSA-N 2 0 343.265 2.851 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430968159 476953957 /nfs/dbraw/zinc/95/39/57/476953957.db2.gz XGFHPGFGOXXVIF-LSDHHAIUSA-N 2 0 335.517 2.710 20 30 EFEDRP CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000423343674 477001682 /nfs/dbraw/zinc/00/16/82/477001682.db2.gz XAVXWFFAACHONN-UHFFFAOYSA-N 2 0 326.488 2.502 20 30 EFEDRP COCC1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000423403434 477021419 /nfs/dbraw/zinc/02/14/19/477021419.db2.gz HOSQBXJEFBRUDY-LJQANCHMSA-N 2 0 327.472 2.932 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000424130762 477300851 /nfs/dbraw/zinc/30/08/51/477300851.db2.gz HTZQUGDCCODVDN-SJORKVTESA-N 2 0 348.878 2.614 20 30 EFEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424208001 477329632 /nfs/dbraw/zinc/32/96/32/477329632.db2.gz XWEXOQQAJLHBKK-LSDHHAIUSA-N 2 0 332.879 2.874 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000417067442 477443605 /nfs/dbraw/zinc/44/36/05/477443605.db2.gz ROONLZPYFMFBDC-OKZBNKHCSA-N 2 0 336.524 2.596 20 30 EFEDRP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298138 477672211 /nfs/dbraw/zinc/67/22/11/477672211.db2.gz GVBWOMKEVCEHBL-DLBZAZTESA-N 2 0 340.475 2.601 20 30 EFEDRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421328431 478038483 /nfs/dbraw/zinc/03/84/83/478038483.db2.gz SJCPDKPBIZEYOA-UHFFFAOYSA-N 2 0 327.403 2.928 20 30 EFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726828 478060814 /nfs/dbraw/zinc/06/08/14/478060814.db2.gz BUGONIJDSGTMJT-LJQANCHMSA-N 2 0 340.515 2.844 20 30 EFEDRP CCN1CCC([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000561092093 478151033 /nfs/dbraw/zinc/15/10/33/478151033.db2.gz UICDPIIURIGZND-UHFFFAOYSA-N 2 0 340.471 2.693 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000441245941 478202942 /nfs/dbraw/zinc/20/29/42/478202942.db2.gz OCULWRLNOUTXOY-ZIFCJYIRSA-N 2 0 348.535 2.609 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000579719501 478346888 /nfs/dbraw/zinc/34/68/88/478346888.db2.gz FRXSXUICOBSNRD-HNNXBMFYSA-N 2 0 335.517 2.712 20 30 EFEDRP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCCC2)cc1 ZINC000594436286 478385825 /nfs/dbraw/zinc/38/58/25/478385825.db2.gz CUEOMNAOIQBPIY-MOPGFXCFSA-N 2 0 342.487 2.659 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000562988656 478403845 /nfs/dbraw/zinc/40/38/45/478403845.db2.gz AECONDRSTCNBAN-CEXWTWQISA-N 2 0 332.488 2.617 20 30 EFEDRP CC1(C#N)CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000570912640 478477845 /nfs/dbraw/zinc/47/78/45/478477845.db2.gz BIIKIVTZXUDUKL-IOJLRTSASA-N 2 0 327.472 2.815 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600718586 478483668 /nfs/dbraw/zinc/48/36/68/478483668.db2.gz YMIJSZGZOUDPLC-HKUYNNGSSA-N 2 0 345.487 2.542 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)CC[NH2+]CC1 ZINC000591570923 478582803 /nfs/dbraw/zinc/58/28/03/478582803.db2.gz BTYQNOGLQFZSSD-LSDHHAIUSA-N 2 0 329.444 2.530 20 30 EFEDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595297087 478720105 /nfs/dbraw/zinc/72/01/05/478720105.db2.gz BCCUGGIEDTTXFQ-KDURUIRLSA-N 2 0 340.515 2.591 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000571994234 478725797 /nfs/dbraw/zinc/72/57/97/478725797.db2.gz NHZVWJDJJPHNDY-FQEVSTJZSA-N 2 0 344.499 2.761 20 30 EFEDRP N#Cc1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000595333321 478735428 /nfs/dbraw/zinc/73/54/28/478735428.db2.gz RTHUVWZEOFSBOO-UHFFFAOYSA-N 2 0 327.472 2.678 20 30 EFEDRP N#Cc1ccc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000595428182 478775543 /nfs/dbraw/zinc/77/55/43/478775543.db2.gz NJIQYKQIVMQUFS-UHFFFAOYSA-N 2 0 341.499 2.925 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)C(C)C ZINC000572873993 478941923 /nfs/dbraw/zinc/94/19/23/478941923.db2.gz ODZFPEAPMJGUKN-MOPGFXCFSA-N 2 0 329.488 2.810 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000565358199 478987364 /nfs/dbraw/zinc/98/73/64/478987364.db2.gz MLDXGHYUOASXSC-PKOBYXMFSA-N 2 0 345.487 2.542 20 30 EFEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598727514 478992773 /nfs/dbraw/zinc/99/27/73/478992773.db2.gz JCEROTYNCZWZIW-KRWDZBQOSA-N 2 0 345.487 2.550 20 30 EFEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000601967078 479099975 /nfs/dbraw/zinc/09/99/75/479099975.db2.gz HRUKNLIEXHEVQL-NZSAHSFTSA-N 2 0 329.488 2.645 20 30 EFEDRP C(#CC[N@@H+]1CC[C@H](c2ccncc2)C1)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000567246152 479104195 /nfs/dbraw/zinc/10/41/95/479104195.db2.gz GYINUVGDTJYJLO-VXKWHMMOSA-N 2 0 346.478 2.759 20 30 EFEDRP C(#CC[N@@H+]1CC[C@@H](c2cccnc2)C1)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000568877482 479131788 /nfs/dbraw/zinc/13/17/88/479131788.db2.gz JTQCEONBVVCXOC-FGZHOGPDSA-N 2 0 346.478 2.759 20 30 EFEDRP CC(C)OC1CC[NH+](CC#CC[NH+]2CCC(OC(C)C)CC2)CC1 ZINC000551386791 479147346 /nfs/dbraw/zinc/14/73/46/479147346.db2.gz DIHLRWVGUFSEQU-UHFFFAOYSA-N 2 0 336.520 2.769 20 30 EFEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110033 479252915 /nfs/dbraw/zinc/25/29/15/479252915.db2.gz KDVBLHZJWSQUHO-SFHVURJKSA-N 2 0 348.535 2.915 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+]C3CCC(C[NH3+])CC3)CC2)c1 ZINC000593316240 479289690 /nfs/dbraw/zinc/28/96/90/479289690.db2.gz BGEKIXMKJYTATQ-UHFFFAOYSA-N 2 0 326.488 2.630 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000593324547 479296500 /nfs/dbraw/zinc/29/65/00/479296500.db2.gz WXKBRHJKEIPFTB-UHFFFAOYSA-N 2 0 326.488 2.502 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000593324590 479296911 /nfs/dbraw/zinc/29/69/11/479296911.db2.gz XUULFBARZJGICY-QUCCMNQESA-N 2 0 326.488 2.630 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000593324591 479296930 /nfs/dbraw/zinc/29/69/30/479296930.db2.gz XUULFBARZJGICY-UYAOXDASSA-N 2 0 326.488 2.630 20 30 EFEDRP C[C@H](CCC#N)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000602462340 479347819 /nfs/dbraw/zinc/34/78/19/479347819.db2.gz BCWJKGUPLAAFRN-LJQANCHMSA-N 2 0 328.504 2.676 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390957 479366049 /nfs/dbraw/zinc/36/60/49/479366049.db2.gz XMYHBPYEVTVVSM-NRFANRHFSA-N 2 0 340.515 2.943 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593701996 479429045 /nfs/dbraw/zinc/42/90/45/479429045.db2.gz JRKFSYKVZBFNSZ-DYESRHJHSA-N 2 0 340.515 2.843 20 30 EFEDRP C[C@@H](CCC#N)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665643 479460851 /nfs/dbraw/zinc/46/08/51/479460851.db2.gz WNTAIQUQIIKZQJ-FPOVZHCZSA-N 2 0 340.515 2.818 20 30 EFEDRP CN1CCN([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)c2cccs2)CC1 ZINC000618561373 479493389 /nfs/dbraw/zinc/49/33/89/479493389.db2.gz BDOGWPDGCQXOCU-YESZJQIVSA-N 2 0 332.517 2.709 20 30 EFEDRP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000615096798 479598398 /nfs/dbraw/zinc/59/83/98/479598398.db2.gz LVPZGLNIYHCWLF-VNCLNFNDSA-N 2 0 342.487 2.963 20 30 EFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705493 481273917 /nfs/dbraw/zinc/27/39/17/481273917.db2.gz JKJXGEJGHBQLPJ-NLWGTHIKSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)C(C)C ZINC000662380680 481771686 /nfs/dbraw/zinc/77/16/86/481771686.db2.gz NYKLAUSMIBOKEI-INIZCTEOSA-N 2 0 347.528 2.822 20 30 EFEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191430300 533926983 /nfs/dbraw/zinc/92/69/83/533926983.db2.gz BNKBVVUSYBLRBZ-IRXDYDNUSA-N 2 0 344.503 2.608 20 30 EFEDRP C=CCc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000357050179 534412465 /nfs/dbraw/zinc/41/24/65/534412465.db2.gz LVOMKBAGMCNCHV-SFHVURJKSA-N 2 0 330.472 2.951 20 30 EFEDRP C=CCN1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000177907458 526454983 /nfs/dbraw/zinc/45/49/83/526454983.db2.gz CISVKEGFAYCDIX-QGZVFWFLSA-N 2 0 331.504 2.928 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175739792 526589147 /nfs/dbraw/zinc/58/91/47/526589147.db2.gz INYFJPZHEVMUNV-UHFFFAOYSA-N 2 0 348.535 2.733 20 30 EFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557806 528254595 /nfs/dbraw/zinc/25/45/95/528254595.db2.gz GUPVJUSAYTWZAZ-FQEVSTJZSA-N 2 0 340.515 2.844 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@H](C)C1 ZINC000187010796 528663194 /nfs/dbraw/zinc/66/31/94/528663194.db2.gz QQIWTSMDVRGRAY-IEBWSBKVSA-N 2 0 345.487 2.664 20 30 EFEDRP CC[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C(C)C)CC1 ZINC000262489341 535259936 /nfs/dbraw/zinc/25/99/36/535259936.db2.gz WBYCDOIJYBDMRZ-UHFFFAOYSA-N 2 0 326.554 2.558 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262690491 535548794 /nfs/dbraw/zinc/54/87/94/535548794.db2.gz CDLLVLGGCQPKIT-DVOMOZLQSA-N 2 0 338.858 2.724 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262461706 535597454 /nfs/dbraw/zinc/59/74/54/535597454.db2.gz MPMRZUJYLHQTLZ-XIRDDKMYSA-N 2 0 334.895 2.975 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2cc(F)ccc2F)Cc2ccccc2C1 ZINC000262297931 536112042 /nfs/dbraw/zinc/11/20/42/536112042.db2.gz PIUSRZOSTIKDBW-UHFFFAOYSA-N 2 0 344.409 2.791 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000764072534 576426768 /nfs/dbraw/zinc/42/67/68/576426768.db2.gz BQJWEFSOUSBPAJ-KRWDZBQOSA-N 2 0 337.895 2.957 20 30 EFEDRP C#CC[NH2+][C@@H](CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001755342086 1249800735 /nfs/dbraw/zinc/80/07/35/1249800735.db2.gz WOJWERLQDFAYTB-SFHVURJKSA-N 2 0 335.536 2.594 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460856 1248240517 /nfs/dbraw/zinc/24/05/17/1248240517.db2.gz RNNSBHVOTUJSRM-UHFFFAOYSA-N 2 0 329.488 2.814 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001752706462 1250828832 /nfs/dbraw/zinc/82/88/32/1250828832.db2.gz HWAMQMALITUMSR-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001752706463 1250829466 /nfs/dbraw/zinc/82/94/66/1250829466.db2.gz HWAMQMALITUMSR-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752810634 1251455758 /nfs/dbraw/zinc/45/57/58/1251455758.db2.gz VSFJYQSYJAZEJJ-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001752829760 1251594259 /nfs/dbraw/zinc/59/42/59/1251594259.db2.gz VCAWYYBTQJLBAV-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834940 1251683239 /nfs/dbraw/zinc/68/32/39/1251683239.db2.gz ZNBGYOXYJCVIAL-RTBURBONSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493462 1252059513 /nfs/dbraw/zinc/05/95/13/1252059513.db2.gz XCJFWZINJAKDAP-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683867 1252166810 /nfs/dbraw/zinc/16/68/10/1252166810.db2.gz IGBKKPQKGCVJNJ-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCCC)CC1 ZINC001089733858 1252327673 /nfs/dbraw/zinc/32/76/73/1252327673.db2.gz BBSAQNCGPLMQDW-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(C)C)CC1 ZINC001089733910 1252327817 /nfs/dbraw/zinc/32/78/17/1252327817.db2.gz CHECQQMFOPGBEX-IBGZPJMESA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733768 1252328452 /nfs/dbraw/zinc/32/84/52/1252328452.db2.gz BDMFTIBZFCZTPD-GOSISDBHSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945333734 1253183960 /nfs/dbraw/zinc/18/39/60/1253183960.db2.gz KIFFWXULDXNFKB-DOTOQJQBSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995895508 1254819008 /nfs/dbraw/zinc/81/90/08/1254819008.db2.gz LQVYDUFWYHVFOO-HZPDHXFCSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995990913 1254920172 /nfs/dbraw/zinc/92/01/72/1254920172.db2.gz CQPQTYFONCKAST-HZPDHXFCSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996097004 1255006014 /nfs/dbraw/zinc/00/60/14/1255006014.db2.gz DZGAGCFMTPYPBB-LJQANCHMSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996381874 1255264831 /nfs/dbraw/zinc/26/48/31/1255264831.db2.gz ZUOQFGWETKEAQU-JKSUJKDBSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996415208 1255293381 /nfs/dbraw/zinc/29/33/81/1255293381.db2.gz UEOPADVXSOREOY-QGZVFWFLSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000996499190 1255386266 /nfs/dbraw/zinc/38/62/66/1255386266.db2.gz AXCVYSLMHFIIIU-SFHVURJKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000996641312 1255629624 /nfs/dbraw/zinc/62/96/24/1255629624.db2.gz DMBWCANPXSZMOQ-UHFFFAOYSA-N 2 0 341.908 2.756 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996673755 1255705684 /nfs/dbraw/zinc/70/56/84/1255705684.db2.gz SFCSERDJZDHEOS-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC000996672295 1255721205 /nfs/dbraw/zinc/72/12/05/1255721205.db2.gz DLBXILPKCWABNT-MSOLQXFVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC000996696191 1255759233 /nfs/dbraw/zinc/75/92/33/1255759233.db2.gz APJNDEPNOLLLQC-KRWDZBQOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439097 1255823761 /nfs/dbraw/zinc/82/37/61/1255823761.db2.gz RDSYUJDGFCRDPU-UYAOXDASSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442915 1255830917 /nfs/dbraw/zinc/83/09/17/1255830917.db2.gz RJHNHIJFSHSYJO-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nccn3C)CCC[C@@H]12 ZINC001107481095 1255934907 /nfs/dbraw/zinc/93/49/07/1255934907.db2.gz GRQQJZQTOKPSCK-YLJYHZDGSA-N 2 0 344.503 2.680 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107481603 1255960895 /nfs/dbraw/zinc/96/08/95/1255960895.db2.gz APDLWAKJGBAINM-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491883 1255989639 /nfs/dbraw/zinc/98/96/39/1255989639.db2.gz OEAPNKUDTGVGPP-IEBWSBKVSA-N 2 0 330.476 2.600 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652621 1256367699 /nfs/dbraw/zinc/36/76/99/1256367699.db2.gz YEMKPLIHCXXBFV-UYAOXDASSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000997006500 1256668680 /nfs/dbraw/zinc/66/86/80/1256668680.db2.gz MHIMYTZATLESNK-KRWDZBQOSA-N 2 0 345.890 2.532 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997083612 1256799953 /nfs/dbraw/zinc/79/99/53/1256799953.db2.gz AZOVYIPKXFDKRC-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997132454 1257023867 /nfs/dbraw/zinc/02/38/67/1257023867.db2.gz MEFJKZFGPHAUDK-MJGOQNOKSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997132453 1257024052 /nfs/dbraw/zinc/02/40/52/1257024052.db2.gz MEFJKZFGPHAUDK-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997160753 1257167445 /nfs/dbraw/zinc/16/74/45/1257167445.db2.gz BTSXEMZBTASQLO-KRWDZBQOSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997163748 1257175449 /nfs/dbraw/zinc/17/54/49/1257175449.db2.gz QXZLAEUEOGJHHR-FQEVSTJZSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997278574 1257324359 /nfs/dbraw/zinc/32/43/59/1257324359.db2.gz GIOWGTBZXTYTEP-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000997366781 1257456562 /nfs/dbraw/zinc/45/65/62/1257456562.db2.gz KTXXLWDXHKDPPD-QGZVFWFLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997372649 1257551117 /nfs/dbraw/zinc/55/11/17/1257551117.db2.gz KNBOPHJHCMZPIY-QGZVFWFLSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089910032 1257555918 /nfs/dbraw/zinc/55/59/18/1257555918.db2.gz ODRJXMCPLZIWRU-MUGJNUQGSA-N 2 0 345.531 2.607 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386126 1257560578 /nfs/dbraw/zinc/56/05/78/1257560578.db2.gz JRQQESQEZDYPAA-QUCCMNQESA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910035 1257589576 /nfs/dbraw/zinc/58/95/76/1257589576.db2.gz ODRJXMCPLZIWRU-YRPNKDGESA-N 2 0 345.531 2.607 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997430768 1257596066 /nfs/dbraw/zinc/59/60/66/1257596066.db2.gz IVTBTUBWZGJGEN-QGZVFWFLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997613927 1258116944 /nfs/dbraw/zinc/11/69/44/1258116944.db2.gz MEFJKZFGPHAUDK-PKOBYXMFSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997734239 1258318286 /nfs/dbraw/zinc/31/82/86/1258318286.db2.gz GRDMWQSMGRWGBV-HNNXBMFYSA-N 2 0 333.476 2.748 20 30 EFEDRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001168595679 1258378534 /nfs/dbraw/zinc/37/85/34/1258378534.db2.gz NZRMFPKGCGQMCS-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001168595649 1258378576 /nfs/dbraw/zinc/37/85/76/1258378576.db2.gz NNSQNGGEFZSMOA-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997816623 1258488487 /nfs/dbraw/zinc/48/84/87/1258488487.db2.gz KNBOPHJHCMZPIY-KRWDZBQOSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997872394 1258556595 /nfs/dbraw/zinc/55/65/95/1258556595.db2.gz VZKKHTSITSNNDY-INIZCTEOSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997947164 1258820513 /nfs/dbraw/zinc/82/05/13/1258820513.db2.gz AIGNIMDCHZTZER-HZPDHXFCSA-N 2 0 327.900 2.536 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005622 1258934357 /nfs/dbraw/zinc/93/43/57/1258934357.db2.gz QTCSENBYWXAFMT-RBUKOAKNSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998005628 1258935261 /nfs/dbraw/zinc/93/52/61/1258935261.db2.gz HBDXKQSQVKEOGS-CEXWTWQISA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018358 1258962256 /nfs/dbraw/zinc/96/22/56/1258962256.db2.gz OQYZFEZUNPJNGB-BRWVUGGUSA-N 2 0 341.927 2.782 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020294 1258971300 /nfs/dbraw/zinc/97/13/00/1258971300.db2.gz CDWQENZQGHARQI-WOJBJXKFSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047572 1259022986 /nfs/dbraw/zinc/02/29/86/1259022986.db2.gz QOQAGRRCARPPEY-SJORKVTESA-N 2 0 344.503 2.712 20 30 EFEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000998152105 1259166981 /nfs/dbraw/zinc/16/69/81/1259166981.db2.gz XVKCDDRQVXQFOA-FQEVSTJZSA-N 2 0 341.499 2.698 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629943 1259443857 /nfs/dbraw/zinc/44/38/57/1259443857.db2.gz QZLJUCPOYPFLJO-PMACEKPBSA-N 2 0 341.499 2.656 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000998769430 1259925933 /nfs/dbraw/zinc/92/59/33/1259925933.db2.gz LRDHGGYVCIOSCS-MUYFXNHWSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCN1c2ccccc2[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144463 1260171898 /nfs/dbraw/zinc/17/18/98/1260171898.db2.gz QDPRKFFMHCUJPN-UTKZUKDTSA-N 2 0 339.483 2.505 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999159377 1260266689 /nfs/dbraw/zinc/26/66/89/1260266689.db2.gz ADMJINWJSUZVOQ-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999276494 1260466861 /nfs/dbraw/zinc/46/68/61/1260466861.db2.gz XQJIQIWELYHNFE-CQSZACIVSA-N 2 0 341.908 2.756 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999506828 1260695113 /nfs/dbraw/zinc/69/51/13/1260695113.db2.gz SFVYYHURWNSANL-GPANFISMSA-N 2 0 327.900 2.581 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000679231 1261551619 /nfs/dbraw/zinc/55/16/19/1261551619.db2.gz YGWFQUOZXICUPV-IEBWSBKVSA-N 2 0 349.906 2.797 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902377 1261662532 /nfs/dbraw/zinc/66/25/32/1261662532.db2.gz MWKZKGZRLKUQOM-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902719 1261691200 /nfs/dbraw/zinc/69/12/00/1261691200.db2.gz WOTLAQKCNXBPIF-MKXGPGLRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904359 1261724284 /nfs/dbraw/zinc/72/42/84/1261724284.db2.gz DHRIOKGUVLHDGJ-ZCNNSNEGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639307 1262096174 /nfs/dbraw/zinc/09/61/74/1262096174.db2.gz FDIBBVMXRHSVBY-HUUCEWRRSA-N 2 0 333.501 2.626 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639306 1262096275 /nfs/dbraw/zinc/09/62/75/1262096275.db2.gz FDIBBVMXRHSVBY-GJZGRUSLSA-N 2 0 333.501 2.626 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032812581 1262101769 /nfs/dbraw/zinc/10/17/69/1262101769.db2.gz LDFUPEJRLIECNU-HOTGVXAUSA-N 2 0 331.460 2.596 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670032 1262154406 /nfs/dbraw/zinc/15/44/06/1262154406.db2.gz CTRVUGJNRBUYMU-JKSUJKDBSA-N 2 0 344.846 2.717 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711464 1262178120 /nfs/dbraw/zinc/17/81/20/1262178120.db2.gz VNWLOFXNJCMEFZ-JKSUJKDBSA-N 2 0 331.460 2.548 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711462 1262178973 /nfs/dbraw/zinc/17/89/73/1262178973.db2.gz VNWLOFXNJCMEFZ-HOTGVXAUSA-N 2 0 331.460 2.548 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819414 1262362466 /nfs/dbraw/zinc/36/24/66/1262362466.db2.gz NAZFDFODXPQTNX-OALUTQOASA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078819306 1262362505 /nfs/dbraw/zinc/36/25/05/1262362505.db2.gz LSZFOEUROKZEGP-OALUTQOASA-N 2 0 341.499 2.955 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820653 1262365487 /nfs/dbraw/zinc/36/54/87/1262365487.db2.gz YLMQPGMKNOCQEF-MSOLQXFVSA-N 2 0 327.472 2.565 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078823546 1262411126 /nfs/dbraw/zinc/41/11/26/1262411126.db2.gz QDJOZSLRBCCSLB-QZTJIDSGSA-N 2 0 345.487 2.938 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078823548 1262411170 /nfs/dbraw/zinc/41/11/70/1262411170.db2.gz QDJOZSLRBCCSLB-ZWKOTPCHSA-N 2 0 345.487 2.938 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098876036 1263187678 /nfs/dbraw/zinc/18/76/78/1263187678.db2.gz ZSBULDOPYSWIBE-NSHGMRRFSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082699602 1263289673 /nfs/dbraw/zinc/28/96/73/1263289673.db2.gz JNQWEGZZNZYKJH-BHIYHBOVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545570 1263658379 /nfs/dbraw/zinc/65/83/79/1263658379.db2.gz QWXYVPYFKYTNPH-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084600866 1264065560 /nfs/dbraw/zinc/06/55/60/1264065560.db2.gz IATXMYKFWXUEFH-BHIYHBOVSA-N 2 0 331.504 2.502 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001003056792 1264535903 /nfs/dbraw/zinc/53/59/03/1264535903.db2.gz TUFNEEAXKUYZBW-FQEVSTJZSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944946 1264715584 /nfs/dbraw/zinc/71/55/84/1264715584.db2.gz YJTVTTDDMVZKJW-HCXYKTFWSA-N 2 0 333.520 2.606 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072643 1265075978 /nfs/dbraw/zinc/07/59/78/1265075978.db2.gz MFIZCMFQKHHSRM-AABGKKOBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101706 1265146367 /nfs/dbraw/zinc/14/63/67/1265146367.db2.gz ZYAXIOGTHMSBMX-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101705 1265146761 /nfs/dbraw/zinc/14/67/61/1265146761.db2.gz ZYAXIOGTHMSBMX-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3n2)CC1 ZINC001003798463 1265208221 /nfs/dbraw/zinc/20/82/21/1265208221.db2.gz ZPLWKHYMJZWRTD-UHFFFAOYSA-N 2 0 340.471 2.732 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2nccn21 ZINC001085224965 1266862085 /nfs/dbraw/zinc/86/20/85/1266862085.db2.gz CCMUOTYWCASMOT-RBSFLKMASA-N 2 0 336.867 2.530 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171068172 1278288601 /nfs/dbraw/zinc/28/86/01/1278288601.db2.gz DOUNAZOWWNLUQG-OAHLLOKOSA-N 2 0 335.517 2.711 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1cnc(C)c1 ZINC001085241562 1266912471 /nfs/dbraw/zinc/91/24/71/1266912471.db2.gz DBUGOXZFIALAQK-HUUCEWRRSA-N 2 0 338.883 2.696 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085254204 1266943530 /nfs/dbraw/zinc/94/35/30/1266943530.db2.gz VPLUONNUAGHFMN-BRWVUGGUSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437021 1266980472 /nfs/dbraw/zinc/98/04/72/1266980472.db2.gz IPJYZZTWPLWNGS-PMACEKPBSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004431417 1266992195 /nfs/dbraw/zinc/99/21/95/1266992195.db2.gz XLWSASOHSOANFS-UXHICEINSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437075 1266993401 /nfs/dbraw/zinc/99/34/01/1266993401.db2.gz JCLGANLONUCIRC-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004438983 1267000412 /nfs/dbraw/zinc/00/04/12/1267000412.db2.gz XTWGSJQBVQHFNC-RTBURBONSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004446159 1267021297 /nfs/dbraw/zinc/02/12/97/1267021297.db2.gz CUSPMZNPIHVAIN-XUVXKRRUSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004447498 1267028259 /nfs/dbraw/zinc/02/82/59/1267028259.db2.gz SPQMHLBBFJTERW-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085306974 1267106168 /nfs/dbraw/zinc/10/61/68/1267106168.db2.gz ZKWUHBYRHBVELH-BRWVUGGUSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946615751 1267125127 /nfs/dbraw/zinc/12/51/27/1267125127.db2.gz QUDNAFGQHNAJOJ-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004505581 1267176499 /nfs/dbraw/zinc/17/64/99/1267176499.db2.gz HMKXTEQTPGCHQA-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501178 1267186443 /nfs/dbraw/zinc/18/64/43/1267186443.db2.gz YIDFKTGPVXVARL-PMACEKPBSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004518996 1267208606 /nfs/dbraw/zinc/20/86/06/1267208606.db2.gz BJUCPXHXUAXMOG-YTQUADARSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004547658 1267270367 /nfs/dbraw/zinc/27/03/67/1267270367.db2.gz PBFIPEROJNYEGY-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004540093 1267283256 /nfs/dbraw/zinc/28/32/56/1267283256.db2.gz BIWVFOKBEFBWKA-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595429 1267360984 /nfs/dbraw/zinc/36/09/84/1267360984.db2.gz HCROAUGUCKDRQK-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595160 1267361150 /nfs/dbraw/zinc/36/11/50/1267361150.db2.gz FWLPBFSWDODZIN-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004618528 1267412766 /nfs/dbraw/zinc/41/27/66/1267412766.db2.gz FRSTVPVHXMFRND-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638539 1267431978 /nfs/dbraw/zinc/43/19/78/1267431978.db2.gz PVXGRZKDFUYAAZ-KDURUIRLSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642966 1267450226 /nfs/dbraw/zinc/45/02/26/1267450226.db2.gz XOPFVGLNYUEVSC-ZGXWSNOMSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085432779 1267458998 /nfs/dbraw/zinc/45/89/98/1267458998.db2.gz PLRPJUSIXTYXGT-OAGGEKHMSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662701 1267626093 /nfs/dbraw/zinc/62/60/93/1267626093.db2.gz JOSABYNGTDWMAD-HDICACEKSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946663043 1267626538 /nfs/dbraw/zinc/62/65/38/1267626538.db2.gz YJCRFABKSFGXRD-KDURUIRLSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NC(=[NH2+])N2CCN(C)CC2)cc1 ZINC001168746243 1267842837 /nfs/dbraw/zinc/84/28/37/1267842837.db2.gz GGXNGGGZTQVKQU-SFHVURJKSA-N 2 0 327.476 2.604 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001273127157 1268653143 /nfs/dbraw/zinc/65/31/43/1268653143.db2.gz XNZORQUUZDOOIM-TZIWHRDSSA-N 2 0 345.531 2.918 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297588 1268687912 /nfs/dbraw/zinc/68/79/12/1268687912.db2.gz PKTIHLFUQCZSCX-SFHVURJKSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808330 1268774993 /nfs/dbraw/zinc/77/49/93/1268774993.db2.gz ORVDOABGLAOQKZ-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808667 1268776960 /nfs/dbraw/zinc/77/69/60/1268776960.db2.gz QYTHJZGCYSQPRS-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809217 1268792317 /nfs/dbraw/zinc/79/23/17/1268792317.db2.gz ZFXANSCNFQTXCE-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366403 1268947777 /nfs/dbraw/zinc/94/77/77/1268947777.db2.gz WZCUKLNCWLXDFY-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682563 1278503437 /nfs/dbraw/zinc/50/34/37/1278503437.db2.gz HOFFHKGDXFRCHC-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033697310 1269834010 /nfs/dbraw/zinc/83/40/10/1269834010.db2.gz CAJBZGHSLYLPCZ-MRXNPFEDSA-N 2 0 333.476 2.844 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832406 1270294561 /nfs/dbraw/zinc/29/45/61/1270294561.db2.gz FGHUFYMMULJUAC-UYAOXDASSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835647 1270307155 /nfs/dbraw/zinc/30/71/55/1270307155.db2.gz KHIQXSKNCRGTSY-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086250854 1270681190 /nfs/dbraw/zinc/68/11/90/1270681190.db2.gz POCLEROIXJGBQB-BBWFWOEESA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955285 1270688003 /nfs/dbraw/zinc/68/80/03/1270688003.db2.gz XVYXWXAMGBJZEG-FQEVSTJZSA-N 2 0 343.515 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034044673 1270954731 /nfs/dbraw/zinc/95/47/31/1270954731.db2.gz CYGYIIGDQUOEED-IBGZPJMESA-N 2 0 347.547 2.691 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387468 1271245782 /nfs/dbraw/zinc/24/57/82/1271245782.db2.gz GAZFDHMUWWDXRM-ZOBUZTSGSA-N 2 0 339.911 2.630 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210747 1271364477 /nfs/dbraw/zinc/36/44/77/1271364477.db2.gz JIYSHOITGAKHQO-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001034250521 1271425457 /nfs/dbraw/zinc/42/54/57/1271425457.db2.gz RIUXNSPWFMXQLR-SJORKVTESA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034237665 1271434855 /nfs/dbraw/zinc/43/48/55/1271434855.db2.gz AOANGUBDAZSLTD-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034237666 1271435088 /nfs/dbraw/zinc/43/50/88/1271435088.db2.gz AOANGUBDAZSLTD-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285130 1271534475 /nfs/dbraw/zinc/53/44/75/1271534475.db2.gz PMBUZHBKWHHZGJ-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034330593 1271673044 /nfs/dbraw/zinc/67/30/44/1271673044.db2.gz OYSKCOCHJDHGIU-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034330594 1271673214 /nfs/dbraw/zinc/67/32/14/1271673214.db2.gz OYSKCOCHJDHGIU-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476127 1272066081 /nfs/dbraw/zinc/06/60/81/1272066081.db2.gz BIUAGFXRVMFGKL-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478889 1272077712 /nfs/dbraw/zinc/07/77/12/1272077712.db2.gz PRRZZFDDIXQQAG-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034479689 1272082161 /nfs/dbraw/zinc/08/21/61/1272082161.db2.gz APLOXTRDZXEVNM-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034480727 1272087453 /nfs/dbraw/zinc/08/74/53/1272087453.db2.gz NBSQIDIVVSPSJI-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C#CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001115648098 1272283200 /nfs/dbraw/zinc/28/32/00/1272283200.db2.gz AOVNGTIHKNWWMR-UHFFFAOYSA-N 2 0 347.547 2.931 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169130388 1272688911 /nfs/dbraw/zinc/68/89/11/1272688911.db2.gz NKJFIFIOIMHERC-DMUMMCEESA-N 2 0 331.504 2.645 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034714519 1272694352 /nfs/dbraw/zinc/69/43/52/1272694352.db2.gz DCKFVESCPQPRTQ-LNLFQRSKSA-N 2 0 333.520 2.987 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169133886 1272694919 /nfs/dbraw/zinc/69/49/19/1272694919.db2.gz MLYALJTXBLKTDA-MFKWGIFDSA-N 2 0 334.504 2.685 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001034776895 1272930394 /nfs/dbraw/zinc/93/03/94/1272930394.db2.gz KVWOYKZBTDXMNG-VQHPVUNQSA-N 2 0 341.927 2.876 20 30 EFEDRP [NH3+]CC1CC[NH+](Cc2ccc(NC=CC(=O)C(F)(F)F)cc2)CC1 ZINC001169480737 1272945262 /nfs/dbraw/zinc/94/52/62/1272945262.db2.gz SIEPJMVAQFOZLO-VMPITWQZSA-N 2 0 341.377 2.914 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)CC1 ZINC001034795787 1272979889 /nfs/dbraw/zinc/97/98/89/1272979889.db2.gz SMNDPZPIRVDDTH-MXVIHJGJSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711544 1273408349 /nfs/dbraw/zinc/40/83/49/1273408349.db2.gz LLNGIKMVMWACAT-OTWHNJEPSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108732570 1273420849 /nfs/dbraw/zinc/42/08/49/1273420849.db2.gz GCDMCJXSZGLGEI-KSZLIROESA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764567 1273467586 /nfs/dbraw/zinc/46/75/86/1273467586.db2.gz PKVYZHZGFSXGBG-KSZLIROESA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001108796327 1273489408 /nfs/dbraw/zinc/48/94/08/1273489408.db2.gz JTSOXQHHCXYTRM-SXLOBPIMSA-N 2 0 345.531 2.654 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108797039 1273490618 /nfs/dbraw/zinc/49/06/18/1273490618.db2.gz ZCYVLBNFGNVBKM-UFYCRDLUSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834701 1273526512 /nfs/dbraw/zinc/52/65/12/1273526512.db2.gz ZSHWNVAVMOESFR-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828524 1273538403 /nfs/dbraw/zinc/53/84/03/1273538403.db2.gz SBXNSHNFDITWKK-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035196227 1273757085 /nfs/dbraw/zinc/75/70/85/1273757085.db2.gz YIZACJSCAWCQIC-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197411 1273762269 /nfs/dbraw/zinc/76/22/69/1273762269.db2.gz MNMZYVAJDPSZIY-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193432 1273812411 /nfs/dbraw/zinc/81/24/11/1273812411.db2.gz CGTIDAPHIFOGOW-UHFFFAOYSA-N 2 0 339.911 2.538 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193704 1273816142 /nfs/dbraw/zinc/81/61/42/1273816142.db2.gz NGVUYWVWWFFQPD-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233696 1273883683 /nfs/dbraw/zinc/88/36/83/1273883683.db2.gz KFZOOEFYONBCJC-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236837 1273897790 /nfs/dbraw/zinc/89/77/90/1273897790.db2.gz DXTNZWPPDHEXPY-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236771 1273899189 /nfs/dbraw/zinc/89/91/89/1273899189.db2.gz CUBAFOZWDDWPBI-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237016 1273899833 /nfs/dbraw/zinc/89/98/33/1273899833.db2.gz ICZBVXBCWMGFBO-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243585 1273912259 /nfs/dbraw/zinc/91/22/59/1273912259.db2.gz AKMCMYKLROEFSA-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399467 1274239919 /nfs/dbraw/zinc/23/99/19/1274239919.db2.gz LAGFDUQHUKJKKQ-RDGPPVDQSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109470946 1274321166 /nfs/dbraw/zinc/32/11/66/1274321166.db2.gz PRZSOLOZAHRVPE-QYZOEREBSA-N 2 0 342.487 2.596 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001109472831 1274323786 /nfs/dbraw/zinc/32/37/86/1274323786.db2.gz IAEDLHDTKAUMPM-MNEFBYGVSA-N 2 0 338.455 2.944 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001035705331 1274383427 /nfs/dbraw/zinc/38/34/27/1274383427.db2.gz CZOAVFXTNOIMDZ-GOSISDBHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035710791 1274391541 /nfs/dbraw/zinc/39/15/41/1274391541.db2.gz SNLHIYJYOFBZEF-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035717667 1274401623 /nfs/dbraw/zinc/40/16/23/1274401623.db2.gz QKPKQLAEQAJCEY-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035717666 1274401667 /nfs/dbraw/zinc/40/16/67/1274401667.db2.gz QKPKQLAEQAJCEY-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035736609 1274428535 /nfs/dbraw/zinc/42/85/35/1274428535.db2.gz HMDFEYXIGGHLMV-UHFFFAOYSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565300 1274430593 /nfs/dbraw/zinc/43/05/93/1274430593.db2.gz JHADTGSMURICHI-SQNIBIBYSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810440 1274541353 /nfs/dbraw/zinc/54/13/53/1274541353.db2.gz LHSJHFKUBDRNHF-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836874 1274574188 /nfs/dbraw/zinc/57/41/88/1274574188.db2.gz OPEPIHDETXJLSX-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ccnc1C(C)C)C2 ZINC001109798959 1274645147 /nfs/dbraw/zinc/64/51/47/1274645147.db2.gz ATOXPESEOAJWQI-IKGGRYGDSA-N 2 0 330.476 2.694 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798832 1274646015 /nfs/dbraw/zinc/64/60/15/1274646015.db2.gz UZDJDXUWZOTDEX-YDZRNGNQSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036093537 1275013086 /nfs/dbraw/zinc/01/30/86/1275013086.db2.gz LXCRLLULDRQLPZ-WBMJQRKESA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036113275 1275065131 /nfs/dbraw/zinc/06/51/31/1275065131.db2.gz PSTDFKREGCDVBD-WBMJQRKESA-N 2 0 332.835 2.527 20 30 EFEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001112547302 1275113341 /nfs/dbraw/zinc/11/33/41/1275113341.db2.gz HIIYOMFAUUWCDQ-FPOVZHCZSA-N 2 0 347.547 2.740 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001036196585 1275208582 /nfs/dbraw/zinc/20/85/82/1275208582.db2.gz UNYQYIOFNKSLKO-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001036196587 1275209089 /nfs/dbraw/zinc/20/90/89/1275209089.db2.gz UNYQYIOFNKSLKO-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001036242369 1275277085 /nfs/dbraw/zinc/27/70/85/1275277085.db2.gz VFVMMSKHCAPFCG-RHSMWYFYSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001036219500 1275288072 /nfs/dbraw/zinc/28/80/72/1275288072.db2.gz PYXDTHZAOOWDAU-KDOFPFPSSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001036219499 1275288449 /nfs/dbraw/zinc/28/84/49/1275288449.db2.gz PYXDTHZAOOWDAU-KBXCAEBGSA-N 2 0 349.906 2.941 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001112585750 1275308840 /nfs/dbraw/zinc/30/88/40/1275308840.db2.gz PGRHDNDSAJHXBL-ZJOUEHCJSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585513 1275309812 /nfs/dbraw/zinc/30/98/12/1275309812.db2.gz BZRXMJPUJFYRHK-ZVDOUQERSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001112585660 1275309868 /nfs/dbraw/zinc/30/98/68/1275309868.db2.gz KSSPYQBZFOCEFX-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586432 1275312013 /nfs/dbraw/zinc/31/20/13/1275312013.db2.gz YUMHJRGHEBBAEW-BJLQDIEVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001036302078 1275383341 /nfs/dbraw/zinc/38/33/41/1275383341.db2.gz HUJJMBNMHBDPOC-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855125 1276110765 /nfs/dbraw/zinc/11/07/65/1276110765.db2.gz LJMIREVJXATSBT-MOPGFXCFSA-N 2 0 335.536 2.975 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991774 1276281582 /nfs/dbraw/zinc/28/15/82/1276281582.db2.gz JNROAYXBMHUTRW-RBUKOAKNSA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](CC)CC1 ZINC001273145750 1276311142 /nfs/dbraw/zinc/31/11/42/1276311142.db2.gz YDIPSFLZILJVBQ-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000817918641 1276376488 /nfs/dbraw/zinc/37/64/88/1276376488.db2.gz LUZNELBQFNRJDS-ZACQAIPSSA-N 2 0 331.460 2.983 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000817918640 1276377124 /nfs/dbraw/zinc/37/71/24/1276377124.db2.gz LUZNELBQFNRJDS-GVDBMIGSSA-N 2 0 331.460 2.983 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)cc1 ZINC000817950559 1276396261 /nfs/dbraw/zinc/39/62/61/1276396261.db2.gz ZXNOMGRUOYKELR-UHFFFAOYSA-N 2 0 348.494 2.814 20 30 EFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818962125 1276550521 /nfs/dbraw/zinc/55/05/21/1276550521.db2.gz YVIPWGWLCVZANM-HLIPFELVSA-N 2 0 329.488 2.939 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174881174 1287233752 /nfs/dbraw/zinc/23/37/52/1287233752.db2.gz ISWVEFUYXBVRLE-IEBWSBKVSA-N 2 0 333.520 2.681 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174881177 1287234276 /nfs/dbraw/zinc/23/42/76/1287234276.db2.gz ISWVEFUYXBVRLE-PKOBYXMFSA-N 2 0 333.520 2.681 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001113102477 1276919307 /nfs/dbraw/zinc/91/93/07/1276919307.db2.gz LZIHPKIETNSSES-UHFFFAOYSA-N 2 0 326.444 2.839 20 30 EFEDRP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174962343 1287271006 /nfs/dbraw/zinc/27/10/06/1287271006.db2.gz SWRCFLCSCDZVCB-IBGZPJMESA-N 2 0 343.515 2.645 20 30 EFEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001005991031 1277339416 /nfs/dbraw/zinc/33/94/16/1277339416.db2.gz LSMGWGAMJVYTPM-UHFFFAOYSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252315 1277405246 /nfs/dbraw/zinc/40/52/46/1277405246.db2.gz INIPPCAJRZVAGT-IBGZPJMESA-N 2 0 333.520 2.894 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH3+])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367104 1279041689 /nfs/dbraw/zinc/04/16/89/1279041689.db2.gz FQTYQURAYJSOJC-UHFFFAOYSA-N 2 0 342.531 2.993 20 30 EFEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086591459 1277824997 /nfs/dbraw/zinc/82/49/97/1277824997.db2.gz MRJALYQDJKTIHW-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068228 1279506203 /nfs/dbraw/zinc/50/62/03/1279506203.db2.gz GAZFDHMUWWDXRM-DQPZFDDXSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262669 1287384033 /nfs/dbraw/zinc/38/40/33/1287384033.db2.gz JMWAUZLXGFWQCF-QAPCUYQASA-N 2 0 327.488 2.650 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265527 1287385052 /nfs/dbraw/zinc/38/50/52/1287385052.db2.gz ZISVZKYYKJERIF-QGZVFWFLSA-N 2 0 331.504 2.855 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175272701 1287387142 /nfs/dbraw/zinc/38/71/42/1287387142.db2.gz LNNICRJPWSCGFU-OAHLLOKOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175389826 1287416585 /nfs/dbraw/zinc/41/65/85/1287416585.db2.gz VLQCKFVABGRYFH-RLLQIKCJSA-N 2 0 343.515 2.782 20 30 EFEDRP N#CC1(Nc2ccc3c(n2)C[NH2+]CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001171274363 1280824233 /nfs/dbraw/zinc/82/42/33/1280824233.db2.gz CUADDFJYQFNDAP-UHFFFAOYSA-N 2 0 347.466 2.698 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608695 1280950539 /nfs/dbraw/zinc/95/05/39/1280950539.db2.gz ASCHSNMHQOSFMI-IAGOWNOFSA-N 2 0 347.547 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610113 1280951400 /nfs/dbraw/zinc/95/14/00/1280951400.db2.gz HEOIZFHORZQVFR-OALUTQOASA-N 2 0 347.547 2.951 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613626 1280952158 /nfs/dbraw/zinc/95/21/58/1280952158.db2.gz ULZKVJKLFJUTST-DLBZAZTESA-N 2 0 335.536 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613693 1280952449 /nfs/dbraw/zinc/95/24/49/1280952449.db2.gz UPBNRSHUSXSBPB-MSOLQXFVSA-N 2 0 347.547 2.785 20 30 EFEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702646 1280982816 /nfs/dbraw/zinc/98/28/16/1280982816.db2.gz YQWMBLXPAOTHAL-CVEARBPZSA-N 2 0 333.476 2.631 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171308521 1281193034 /nfs/dbraw/zinc/19/30/34/1281193034.db2.gz TYQYFZUMKISFRT-MOPGFXCFSA-N 2 0 335.536 2.785 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CC ZINC001171308309 1281193216 /nfs/dbraw/zinc/19/32/16/1281193216.db2.gz QNMBJUNBWDZBAS-RJCMGOLDSA-N 2 0 333.520 2.705 20 30 EFEDRP N#Cc1ccnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170522163 1281286061 /nfs/dbraw/zinc/28/60/61/1281286061.db2.gz ASRWUEXMXFVKOM-UHFFFAOYSA-N 2 0 345.450 2.863 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674088 1281418979 /nfs/dbraw/zinc/41/89/79/1281418979.db2.gz NADGNDDJOVULEX-OPYAIIAOSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161243 1281438545 /nfs/dbraw/zinc/43/85/45/1281438545.db2.gz QVWPWGUJZAUGPF-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148286798 1281494352 /nfs/dbraw/zinc/49/43/52/1281494352.db2.gz ZJSGQGRPKKKROA-SFHVURJKSA-N 2 0 335.536 2.975 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292508 1281497459 /nfs/dbraw/zinc/49/74/59/1281497459.db2.gz ITPCFUSVQJWRBT-QZTJIDSGSA-N 2 0 335.536 2.689 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713482 1281514314 /nfs/dbraw/zinc/51/43/14/1281514314.db2.gz ZRRIXGUDLINEIT-APWZRJJASA-N 2 0 347.528 2.780 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418188 1281552641 /nfs/dbraw/zinc/55/26/41/1281552641.db2.gz DFJDOULXYQCZHY-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476945 1281568947 /nfs/dbraw/zinc/56/89/47/1281568947.db2.gz BOOUXLJKMXYCMK-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737936 1281686425 /nfs/dbraw/zinc/68/64/25/1281686425.db2.gz SCEIOHMJPTUXKE-HBFSDRIKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148834049 1281759286 /nfs/dbraw/zinc/75/92/86/1281759286.db2.gz UMRJVCSCMGEDFQ-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148834050 1281760592 /nfs/dbraw/zinc/76/05/92/1281760592.db2.gz UMRJVCSCMGEDFQ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833651 1281760656 /nfs/dbraw/zinc/76/06/56/1281760656.db2.gz IGOAOBCVVJQLNE-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754228 1281798039 /nfs/dbraw/zinc/79/80/39/1281798039.db2.gz KCRZEIDYJVFSTQ-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086881933 1281871109 /nfs/dbraw/zinc/87/11/09/1281871109.db2.gz RTVLIIUWVJZLPZ-MAUKXSAKSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086881744 1281871475 /nfs/dbraw/zinc/87/14/75/1281871475.db2.gz JWPDKHAKBGVEHC-QFBILLFUSA-N 2 0 329.488 2.812 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086910326 1281913121 /nfs/dbraw/zinc/91/31/21/1281913121.db2.gz QXRIOVBSWHWSSO-JKSUJKDBSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086910359 1281913181 /nfs/dbraw/zinc/91/31/81/1281913181.db2.gz RQJLFXRMVIIYMF-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926231 1281945875 /nfs/dbraw/zinc/94/58/75/1281945875.db2.gz SJFDZDPOWIPIFQ-OALUTQOASA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926929 1281948688 /nfs/dbraw/zinc/94/86/88/1281948688.db2.gz NUKKKJULCCMMRC-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942393 1281972690 /nfs/dbraw/zinc/97/26/90/1281972690.db2.gz PQUBENDNOBEBQI-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943734 1282271177 /nfs/dbraw/zinc/27/11/77/1282271177.db2.gz FARHZLQMLLYLDG-SBHAEUEKSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092299859 1282547326 /nfs/dbraw/zinc/54/73/26/1282547326.db2.gz KDZDIFZQCLCZPA-NQIIRXRSSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677051 1282941999 /nfs/dbraw/zinc/94/19/99/1282941999.db2.gz VHHTZZFGKMZIOB-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP CSC1(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC[NH+](C)CC1 ZINC000810170809 1282964351 /nfs/dbraw/zinc/96/43/51/1282964351.db2.gz SPTNXBBFIGJBEZ-OAHLLOKOSA-N 2 0 333.501 2.894 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132156736 1283060375 /nfs/dbraw/zinc/06/03/75/1283060375.db2.gz IILUEBQAAGBGGA-NVXWUHKLSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092968710 1283142428 /nfs/dbraw/zinc/14/24/28/1283142428.db2.gz YHGWDXNVEATIIP-YLJYHZDGSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717702 1283223866 /nfs/dbraw/zinc/22/38/66/1283223866.db2.gz ZUOWSADULDYTPZ-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717699 1283224300 /nfs/dbraw/zinc/22/43/00/1283224300.db2.gz ZUOWSADULDYTPZ-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120800 1283263246 /nfs/dbraw/zinc/26/32/46/1283263246.db2.gz NZNCZYCCNIQWOU-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731404 1283293279 /nfs/dbraw/zinc/29/32/79/1283293279.db2.gz SSBZVZZFRYISHU-NVXWUHKLSA-N 2 0 347.528 2.922 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731599 1283293796 /nfs/dbraw/zinc/29/37/96/1283293796.db2.gz WNQABHBDEWRPIW-GDBMZVCRSA-N 2 0 333.501 2.532 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748414 1283394226 /nfs/dbraw/zinc/39/42/26/1283394226.db2.gz DLUYIHFACIPCDH-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754257 1283418891 /nfs/dbraw/zinc/41/88/91/1283418891.db2.gz CQSNRDFCBXTPNA-MJGOQNOKSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755579 1283427619 /nfs/dbraw/zinc/42/76/19/1283427619.db2.gz ZFIXLOZTEQGNNJ-HKUYNNGSSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755581 1283428588 /nfs/dbraw/zinc/42/85/88/1283428588.db2.gz ZFIXLOZTEQGNNJ-MJGOQNOKSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243727 1283490545 /nfs/dbraw/zinc/49/05/45/1283490545.db2.gz SUUFBIJLLXDHDQ-HZPDHXFCSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426214 1283552188 /nfs/dbraw/zinc/55/21/88/1283552188.db2.gz UCMYZEWWHBITEM-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519518 1283782515 /nfs/dbraw/zinc/78/25/15/1283782515.db2.gz ZYRIGRWNDJBUKQ-QUCCMNQESA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093361540 1283783219 /nfs/dbraw/zinc/78/32/19/1283783219.db2.gz LPWXWOZHGXZKQG-RBUKOAKNSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001093373920 1283817168 /nfs/dbraw/zinc/81/71/68/1283817168.db2.gz UZVRRUORKWJNBN-OALUTQOASA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093381754 1283847851 /nfs/dbraw/zinc/84/78/51/1283847851.db2.gz UCNOAQISMRPVDD-FXAWDEMLSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093381757 1283848342 /nfs/dbraw/zinc/84/83/42/1283848342.db2.gz UCNOAQISMRPVDD-YLJYHZDGSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093384019 1283859537 /nfs/dbraw/zinc/85/95/37/1283859537.db2.gz SOTJZGYQLBAIEJ-OALUTQOASA-N 2 0 345.531 2.607 20 30 EFEDRP C[C@H](C#N)OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062589 1284012164 /nfs/dbraw/zinc/01/21/64/1284012164.db2.gz ONIDTVNKKWDLCK-YZGWKJHDSA-N 2 0 327.472 2.902 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@H]21 ZINC001036821334 1284062689 /nfs/dbraw/zinc/06/26/89/1284062689.db2.gz YIEFNQXLFZJQQD-WOJBJXKFSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835064 1284148384 /nfs/dbraw/zinc/14/83/84/1284148384.db2.gz UDFMGQZUJYFGGP-QZTJIDSGSA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854183 1284330524 /nfs/dbraw/zinc/33/05/24/1284330524.db2.gz HNQUTXORERSIAI-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132869290 1284402961 /nfs/dbraw/zinc/40/29/61/1284402961.db2.gz HYGFHSNZSIJTIW-WBVHZDCISA-N 2 0 347.528 2.521 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112646 1287713692 /nfs/dbraw/zinc/71/36/92/1287713692.db2.gz XPDGAUXGUFSFCR-GHTZIAJQSA-N 2 0 343.515 2.751 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176111999 1287713904 /nfs/dbraw/zinc/71/39/04/1287713904.db2.gz LRBXLRFOANQLGO-GHTZIAJQSA-N 2 0 343.515 2.751 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132922813 1284470103 /nfs/dbraw/zinc/47/01/03/1284470103.db2.gz AEOXUVYVGSCDFE-ZWKOTPCHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132925394 1284474700 /nfs/dbraw/zinc/47/47/00/1284474700.db2.gz XJPVMUSWKJSIRB-MOPGFXCFSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132932138 1284484763 /nfs/dbraw/zinc/48/47/63/1284484763.db2.gz HAKGPTFHPCZOAG-ROUUACIJSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132938729 1284492026 /nfs/dbraw/zinc/49/20/26/1284492026.db2.gz YKKAMCQRJTZZSO-NVXWUHKLSA-N 2 0 340.471 2.907 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941007 1284497910 /nfs/dbraw/zinc/49/79/10/1284497910.db2.gz DJDBFTLZJUQLBD-QZTJIDSGSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973734 1284533310 /nfs/dbraw/zinc/53/33/10/1284533310.db2.gz PWBMJJPVKZNCAV-DOTOQJQBSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133065216 1284731586 /nfs/dbraw/zinc/73/15/86/1284731586.db2.gz VEIQGARVIJAEDB-RDJZCZTQSA-N 2 0 333.476 2.605 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162593 1284916903 /nfs/dbraw/zinc/91/69/03/1284916903.db2.gz OQOPURAYQHPQMB-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185464 1284950171 /nfs/dbraw/zinc/95/01/71/1284950171.db2.gz DJOBOHXDTRFQAQ-OALUTQOASA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133194935 1284972192 /nfs/dbraw/zinc/97/21/92/1284972192.db2.gz NEMNJMLTFCMRQO-RDJZCZTQSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133194476 1284972211 /nfs/dbraw/zinc/97/22/11/1284972211.db2.gz GJYCGWDQKJVBDF-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133196181 1284974015 /nfs/dbraw/zinc/97/40/15/1284974015.db2.gz TXZYGVWGZREOBS-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413622 1285037371 /nfs/dbraw/zinc/03/73/71/1285037371.db2.gz GOPFEEIJNFKTDT-QWFCFKBJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133246420 1285047493 /nfs/dbraw/zinc/04/74/93/1285047493.db2.gz WNAKSZPJYVNCIK-RBUKOAKNSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133249485 1285052565 /nfs/dbraw/zinc/05/25/65/1285052565.db2.gz GCPBWUYUSJAVEB-PXNSSMCTSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250353 1285054662 /nfs/dbraw/zinc/05/46/62/1285054662.db2.gz UCKJUQCJSALQLC-IAGOWNOFSA-N 2 0 344.503 2.802 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133237242 1285061626 /nfs/dbraw/zinc/06/16/26/1285061626.db2.gz AANZVFHTGKHXSC-UXHICEINSA-N 2 0 349.563 2.986 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133237243 1285061693 /nfs/dbraw/zinc/06/16/93/1285061693.db2.gz AANZVFHTGKHXSC-VQTJNVASSA-N 2 0 349.563 2.986 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461204 1285136325 /nfs/dbraw/zinc/13/63/25/1285136325.db2.gz NNQMROQJTKBJOP-UYAOXDASSA-N 2 0 338.455 2.885 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470575 1285171981 /nfs/dbraw/zinc/17/19/81/1285171981.db2.gz KXOPGFNVSMMBNZ-UYAOXDASSA-N 2 0 338.455 2.885 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133314197 1285197170 /nfs/dbraw/zinc/19/71/70/1285197170.db2.gz MGCRILQPUJQIPL-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133337237 1285215222 /nfs/dbraw/zinc/21/52/22/1285215222.db2.gz KNMAYDXLHWDUFL-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133338040 1285216304 /nfs/dbraw/zinc/21/63/04/1285216304.db2.gz SBYIIUKVOGVLKK-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337751 1285217329 /nfs/dbraw/zinc/21/73/29/1285217329.db2.gz PHDSOIPTRXMTNP-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133338771 1285218822 /nfs/dbraw/zinc/21/88/22/1285218822.db2.gz YRDJDPIIUHVJQC-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133358478 1285255054 /nfs/dbraw/zinc/25/50/54/1285255054.db2.gz ALGXNBKSUBZQIO-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133403961 1285356087 /nfs/dbraw/zinc/35/60/87/1285356087.db2.gz RJUUVWYTGZTAIK-YJBOKZPZSA-N 2 0 349.906 2.642 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902696 1285382121 /nfs/dbraw/zinc/38/21/21/1285382121.db2.gz OCPIGHYPOXJZPE-UXHICEINSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902697 1285383406 /nfs/dbraw/zinc/38/34/06/1285383406.db2.gz OCPIGHYPOXJZPE-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001171508582 1285615970 /nfs/dbraw/zinc/61/59/70/1285615970.db2.gz GIMHPVUNUDITCU-VQIMIIECSA-N 2 0 344.503 2.663 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618488 1285680836 /nfs/dbraw/zinc/68/08/36/1285680836.db2.gz KSOTYNQBFOHSBF-QGZVFWFLSA-N 2 0 335.536 2.927 20 30 EFEDRP CC[C@@H](C(=O)NCC[NH2+]CC#Cc1ccccc1Cl)[NH+](CC)CC ZINC001133684118 1285758066 /nfs/dbraw/zinc/75/80/66/1285758066.db2.gz DCACWBPJMGVTLB-SFHVURJKSA-N 2 0 349.906 2.518 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172109536 1286024373 /nfs/dbraw/zinc/02/43/73/1286024373.db2.gz HKBKYEPXLRVIAF-BCDXTJNWSA-N 2 0 335.492 2.626 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001172299173 1286111207 /nfs/dbraw/zinc/11/12/07/1286111207.db2.gz IBYKGGHFRWSSKY-QGZVFWFLSA-N 2 0 334.467 2.920 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179134710 1289052252 /nfs/dbraw/zinc/05/22/52/1289052252.db2.gz RNYOEWDFHAMIKP-UHFFFAOYSA-N 2 0 343.515 2.694 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCO[C@@H](C)CC)CC1 ZINC001172350347 1286121007 /nfs/dbraw/zinc/12/10/07/1286121007.db2.gz XTNGPVSHVRNACY-UXHICEINSA-N 2 0 337.552 2.872 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001179134204 1289052915 /nfs/dbraw/zinc/05/29/15/1289052915.db2.gz HTELYBKTNXCRIW-UHFFFAOYSA-N 2 0 335.536 2.931 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086716638 1286281231 /nfs/dbraw/zinc/28/12/31/1286281231.db2.gz KGHOZHHDTWDKIF-GVDBMIGSSA-N 2 0 341.927 2.591 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370247 1286642316 /nfs/dbraw/zinc/64/23/16/1286642316.db2.gz ZFRJWSIXWGYCQW-GJZGRUSLSA-N 2 0 329.916 2.876 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772759 1287170443 /nfs/dbraw/zinc/17/04/43/1287170443.db2.gz HJQWLZDMYBWAIL-ROUUACIJSA-N 2 0 343.515 2.641 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774258 1287171092 /nfs/dbraw/zinc/17/10/92/1287171092.db2.gz WWPJSWQRVWOBFT-JKSUJKDBSA-N 2 0 344.503 2.661 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773688 1287171714 /nfs/dbraw/zinc/17/17/14/1287171714.db2.gz QLKQSZXOTSNQSV-HOTGVXAUSA-N 2 0 344.503 2.661 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134787460 1287189567 /nfs/dbraw/zinc/18/95/67/1287189567.db2.gz KZOYQKMXMIFSED-CABCVRRESA-N 2 0 338.883 2.533 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1occc1C[NH+](C)C ZINC001179392288 1289135713 /nfs/dbraw/zinc/13/57/13/1289135713.db2.gz BJEFBIAXIQEVIM-UHFFFAOYSA-N 2 0 341.883 2.974 20 30 EFEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176278872 1287920769 /nfs/dbraw/zinc/92/07/69/1287920769.db2.gz JUGUYSRLDYQEAB-AWEZNQCLSA-N 2 0 348.329 2.501 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176279663 1287921424 /nfs/dbraw/zinc/92/14/24/1287921424.db2.gz PBEVJHARKCZQRL-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176284775 1287923607 /nfs/dbraw/zinc/92/36/07/1287923607.db2.gz KASNGEHGKVWSKG-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001135371728 1287978775 /nfs/dbraw/zinc/97/87/75/1287978775.db2.gz IJVZJDCOHUJHTR-HZPDHXFCSA-N 2 0 349.906 2.516 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001176737080 1288087501 /nfs/dbraw/zinc/08/75/01/1288087501.db2.gz HGPGDJDNPUBISL-ROUUACIJSA-N 2 0 335.536 2.642 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001176737081 1288087977 /nfs/dbraw/zinc/08/79/77/1288087977.db2.gz HGPGDJDNPUBISL-ZWKOTPCHSA-N 2 0 335.536 2.642 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC2CCCC2)CC1 ZINC001176738145 1288088937 /nfs/dbraw/zinc/08/89/37/1288088937.db2.gz PCOVMPGNKYIGKB-SFHVURJKSA-N 2 0 347.547 2.786 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+][C@H](C)CCC=C)CC1 ZINC001176738342 1288089179 /nfs/dbraw/zinc/08/91/79/1288089179.db2.gz QTAOSQSXSXNUKJ-MOPGFXCFSA-N 2 0 347.547 2.951 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCCC)CC1 ZINC001176738239 1288089313 /nfs/dbraw/zinc/08/93/13/1288089313.db2.gz PUACUNGLRRHJKS-SFHVURJKSA-N 2 0 335.536 2.786 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCC=C)CC1 ZINC001176738227 1288089460 /nfs/dbraw/zinc/08/94/60/1288089460.db2.gz PTSPGZSBPKDJLG-SFHVURJKSA-N 2 0 333.520 2.562 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165727564 1312671340 /nfs/dbraw/zinc/67/13/40/1312671340.db2.gz DMNFUBXMHHOPOY-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176754830 1288120785 /nfs/dbraw/zinc/12/07/85/1288120785.db2.gz ZDFDWFZCZYINHT-RTBURBONSA-N 2 0 335.536 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177265977 1288368554 /nfs/dbraw/zinc/36/85/54/1288368554.db2.gz AZNTZHDSZMMKIS-KRWDZBQOSA-N 2 0 341.927 2.832 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001177317478 1288385733 /nfs/dbraw/zinc/38/57/33/1288385733.db2.gz XMJRKSWYXNOUIU-UHFFFAOYSA-N 2 0 347.547 2.883 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001177352765 1288415232 /nfs/dbraw/zinc/41/52/32/1288415232.db2.gz LDAGHSXOWBFWGT-UHFFFAOYSA-N 2 0 335.536 2.739 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001177416203 1288424874 /nfs/dbraw/zinc/42/48/74/1288424874.db2.gz VQRMHNYMTDVXIR-UHFFFAOYSA-N 2 0 349.563 2.986 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001177433440 1288438692 /nfs/dbraw/zinc/43/86/92/1288438692.db2.gz GBKLNUKWQSEMDR-FQEVSTJZSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902457 1288570275 /nfs/dbraw/zinc/57/02/75/1288570275.db2.gz SMCQFPPAEGSSCZ-SJORKVTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902454 1288570505 /nfs/dbraw/zinc/57/05/05/1288570505.db2.gz SMCQFPPAEGSSCZ-DLBZAZTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086803728 1288574244 /nfs/dbraw/zinc/57/42/44/1288574244.db2.gz WVVKGVNZTKVAJT-AZUAARDMSA-N 2 0 343.515 2.855 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490415 1288802731 /nfs/dbraw/zinc/80/27/31/1288802731.db2.gz NBFJUGVEUZQNEX-IBGZPJMESA-N 2 0 347.547 2.931 20 30 EFEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178617057 1288838997 /nfs/dbraw/zinc/83/89/97/1288838997.db2.gz BCLNQOXYOKLIPK-KRWDZBQOSA-N 2 0 329.504 2.899 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001178903173 1288976252 /nfs/dbraw/zinc/97/62/52/1288976252.db2.gz UUBYMYNTOMFPAV-UHFFFAOYSA-N 2 0 335.536 2.929 20 30 EFEDRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001179846607 1289284501 /nfs/dbraw/zinc/28/45/01/1289284501.db2.gz OXEJQWKSLCZFER-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001165892997 1312698663 /nfs/dbraw/zinc/69/86/63/1312698663.db2.gz FWPKMHINDHFEED-UHFFFAOYSA-N 2 0 333.520 2.539 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001180035421 1289390231 /nfs/dbraw/zinc/39/02/31/1289390231.db2.gz DMCKCHZAJZOIKF-LJQANCHMSA-N 2 0 335.536 2.931 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926857 1312705793 /nfs/dbraw/zinc/70/57/93/1312705793.db2.gz GZBZTTWZCAVCDG-INIZCTEOSA-N 2 0 341.927 2.735 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180203967 1289442758 /nfs/dbraw/zinc/44/27/58/1289442758.db2.gz FASURWOJEMLIFN-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180272729 1289474047 /nfs/dbraw/zinc/47/40/47/1289474047.db2.gz OIRBUMCCCVQPLB-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)N(C)C ZINC001180386571 1289502559 /nfs/dbraw/zinc/50/25/59/1289502559.db2.gz DUQKBUKZAZXWBI-IBGZPJMESA-N 2 0 346.519 2.917 20 30 EFEDRP C#CCOc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000873246015 1289678272 /nfs/dbraw/zinc/67/82/72/1289678272.db2.gz RMKYRXLITYRHFK-MRXNPFEDSA-N 2 0 336.439 2.676 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293308 1289707610 /nfs/dbraw/zinc/70/76/10/1289707610.db2.gz YYNNUWSPVMFTPU-VQIMIIECSA-N 2 0 328.456 2.508 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171061069 1289735736 /nfs/dbraw/zinc/73/57/36/1289735736.db2.gz QCEXPQNOJIUHDK-HUUCEWRRSA-N 2 0 335.895 2.683 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189362 1312742513 /nfs/dbraw/zinc/74/25/13/1312742513.db2.gz GPCDNYIDNHAQSJ-UHFFFAOYSA-N 2 0 326.444 2.790 20 30 EFEDRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000719925776 1289931628 /nfs/dbraw/zinc/93/16/28/1289931628.db2.gz PWVDWGJCFDYRDX-RTBURBONSA-N 2 0 342.487 2.521 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736225 1289938738 /nfs/dbraw/zinc/93/87/38/1289938738.db2.gz KITJDSFUUDOLTA-FUHIMQAGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114627211 1290046380 /nfs/dbraw/zinc/04/63/80/1290046380.db2.gz RZBOOWPZYZZKDE-IMBTUZDBSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182169652 1290100466 /nfs/dbraw/zinc/10/04/66/1290100466.db2.gz MHALEKIEFBSLMP-IMFGXOCKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2NC)CC1 ZINC001232675469 1312758880 /nfs/dbraw/zinc/75/88/80/1312758880.db2.gz OMRZPTDKPGCZLU-UHFFFAOYSA-N 2 0 328.504 2.520 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182978496 1290289665 /nfs/dbraw/zinc/28/96/65/1290289665.db2.gz QBZMXXAZIBFIQU-UYAOXDASSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183399157 1290339606 /nfs/dbraw/zinc/33/96/06/1290339606.db2.gz OABULRNBDVRTEX-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001183496900 1290355968 /nfs/dbraw/zinc/35/59/68/1290355968.db2.gz QCXWAUDQFHIELG-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184735618 1290507944 /nfs/dbraw/zinc/50/79/44/1290507944.db2.gz QAPOFUDIRPWLIG-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184882859 1290535480 /nfs/dbraw/zinc/53/54/80/1290535480.db2.gz OOYHIIVAWKBXMT-MOPGFXCFSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001184882756 1290535553 /nfs/dbraw/zinc/53/55/53/1290535553.db2.gz NZWFESMWGHHNCS-PKOBYXMFSA-N 2 0 343.515 2.665 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184882864 1290535748 /nfs/dbraw/zinc/53/57/48/1290535748.db2.gz OOYHIIVAWKBXMT-RTBURBONSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892115 1290538961 /nfs/dbraw/zinc/53/89/61/1290538961.db2.gz NCFZECPDRPXKCX-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184881782 1290545117 /nfs/dbraw/zinc/54/51/17/1290545117.db2.gz ADVFZFPHSJSWJM-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001185212772 1290620763 /nfs/dbraw/zinc/62/07/63/1290620763.db2.gz CDYGJSNRCNRBRW-ZWKOTPCHSA-N 2 0 344.503 2.691 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261912 1290627922 /nfs/dbraw/zinc/62/79/22/1290627922.db2.gz YXIYRLYMJBUNMY-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185517350 1290695903 /nfs/dbraw/zinc/69/59/03/1290695903.db2.gz QRIHLNWRLLVBOK-DLBZAZTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185546797 1290718773 /nfs/dbraw/zinc/71/87/73/1290718773.db2.gz DKFOXGXPSOHNSO-GOEBONIOSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001185770433 1290759404 /nfs/dbraw/zinc/75/94/04/1290759404.db2.gz HTTDRQCKGWCPMU-SJORKVTESA-N 2 0 347.503 2.995 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001185770431 1290759527 /nfs/dbraw/zinc/75/95/27/1290759527.db2.gz HTTDRQCKGWCPMU-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662516 1290784406 /nfs/dbraw/zinc/78/44/06/1290784406.db2.gz LNUDMDXLLOWQEN-PIIMJCKOSA-N 2 0 335.536 2.878 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597076 1290994901 /nfs/dbraw/zinc/99/49/01/1290994901.db2.gz FEHVJYQBFWQLTJ-LJQANCHMSA-N 2 0 347.547 2.692 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776471 1291019382 /nfs/dbraw/zinc/01/93/82/1291019382.db2.gz NXHCDPDIJLCZQU-QZTJIDSGSA-N 2 0 349.906 2.827 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233037 1291063142 /nfs/dbraw/zinc/06/31/42/1291063142.db2.gz ZHIZPRWGJKTWGV-OALUTQOASA-N 2 0 345.531 2.681 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186981660 1291068139 /nfs/dbraw/zinc/06/81/39/1291068139.db2.gz UPHMYLAGSGAMIC-VQIMIIECSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCN1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009055 1291105299 /nfs/dbraw/zinc/10/52/99/1291105299.db2.gz GDBNDLRLKIWHFK-JKSUJKDBSA-N 2 0 337.508 2.918 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188086045 1291308809 /nfs/dbraw/zinc/30/88/09/1291308809.db2.gz WVDRIXVQJFODGN-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664527 1291439940 /nfs/dbraw/zinc/43/99/40/1291439940.db2.gz MXISPJRQIQWSOV-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001114724526 1291557554 /nfs/dbraw/zinc/55/75/54/1291557554.db2.gz OKGGTUOKVLUXSS-VNTMZGSJSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127546 1291590119 /nfs/dbraw/zinc/59/01/19/1291590119.db2.gz XLFNSNHRUSODER-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(NC2(C(=O)OC)CC[NH2+]CC2)cc1 ZINC001166981724 1312875137 /nfs/dbraw/zinc/87/51/37/1312875137.db2.gz NEDVNBUQAVEERU-SFHVURJKSA-N 2 0 343.471 2.717 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550251 1291747618 /nfs/dbraw/zinc/74/76/18/1291747618.db2.gz PNWINBFRJZJWGK-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550250 1291747980 /nfs/dbraw/zinc/74/79/80/1291747980.db2.gz PNWINBFRJZJWGK-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612164 1291784258 /nfs/dbraw/zinc/78/42/58/1291784258.db2.gz ICSPOYVJQLWDQL-YSIASYRMSA-N 2 0 347.547 2.994 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC1 ZINC000957585873 1291806756 /nfs/dbraw/zinc/80/67/56/1291806756.db2.gz PLHSGHVCCHCQJY-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[N@@H+]1CCc2cc(C(=O)N(C)CC[NH+](CC)CC)[nH]c2C1 ZINC001277779959 1312881762 /nfs/dbraw/zinc/88/17/62/1312881762.db2.gz XGAVPNJILPSOEY-UHFFFAOYSA-N 2 0 346.519 2.753 20 30 EFEDRP C=CCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001277779993 1312881912 /nfs/dbraw/zinc/88/19/12/1312881912.db2.gz YIEPVRQBDTVUCH-KCITZHQASA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001277779985 1312882150 /nfs/dbraw/zinc/88/21/50/1312882150.db2.gz YAORPCMNNMFPML-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957597017 1291840979 /nfs/dbraw/zinc/84/09/79/1291840979.db2.gz MGGDCZYGDNXOQO-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623775 1312887600 /nfs/dbraw/zinc/88/76/00/1312887600.db2.gz GJEVNVXWJXYUTD-HKUYNNGSSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605899 1291860031 /nfs/dbraw/zinc/86/00/31/1291860031.db2.gz OUIYNEWIHDNARQ-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633731 1291929170 /nfs/dbraw/zinc/92/91/70/1291929170.db2.gz MKEDLWLFJUWEOO-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635994 1291934611 /nfs/dbraw/zinc/93/46/11/1291934611.db2.gz ROISGVGFMDAPDV-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049466107 1312890741 /nfs/dbraw/zinc/89/07/41/1312890741.db2.gz ZJIGYAJHNNDEJJ-IPMKNSEASA-N 2 0 333.520 2.891 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000957647479 1291959823 /nfs/dbraw/zinc/95/98/23/1291959823.db2.gz JLMOHUSVMAQFOJ-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317083 1292104755 /nfs/dbraw/zinc/10/47/55/1292104755.db2.gz CLUCGERMAXDJNL-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190445645 1292164812 /nfs/dbraw/zinc/16/48/12/1292164812.db2.gz ZJGIKFZPEHXGPJ-MSOLQXFVSA-N 2 0 341.515 2.945 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049479896 1312909218 /nfs/dbraw/zinc/90/92/18/1312909218.db2.gz CNMXWQRLEXXNIH-MANSERQUSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652821 1292266424 /nfs/dbraw/zinc/26/64/24/1292266424.db2.gz BEPHLGAHVWBTAG-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428326 1312922711 /nfs/dbraw/zinc/92/27/11/1312922711.db2.gz XXVGGYHKVAJPGE-DLBZAZTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016683771 1312924078 /nfs/dbraw/zinc/92/40/78/1312924078.db2.gz XNCTUDPHUDJEBP-GOSISDBHSA-N 2 0 345.531 2.799 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001016683773 1312924099 /nfs/dbraw/zinc/92/40/99/1312924099.db2.gz XNCTUDPHUDJEBP-SFHVURJKSA-N 2 0 345.531 2.799 20 30 EFEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001191010395 1292423816 /nfs/dbraw/zinc/42/38/16/1292423816.db2.gz LRCLUDHOXGNXEY-MJGOQNOKSA-N 2 0 346.519 2.949 20 30 EFEDRP CCCCCCCNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001191095988 1292478677 /nfs/dbraw/zinc/47/86/77/1292478677.db2.gz NLPZUZSGYAUCER-UHFFFAOYSA-N 2 0 328.545 2.872 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701649 1312934428 /nfs/dbraw/zinc/93/44/28/1312934428.db2.gz CIPAXHBLFWJKLU-ZWKOTPCHSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701648 1312934696 /nfs/dbraw/zinc/93/46/96/1312934696.db2.gz CIPAXHBLFWJKLU-ROUUACIJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191544119 1292563096 /nfs/dbraw/zinc/56/30/96/1292563096.db2.gz ZDMCYZRJHKAMLO-IBGZPJMESA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544072 1292563469 /nfs/dbraw/zinc/56/34/69/1292563469.db2.gz XQUCXQYZDSOUQZ-SFHVURJKSA-N 2 0 335.536 2.997 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203507577 1312941441 /nfs/dbraw/zinc/94/14/41/1312941441.db2.gz SXUMLPMDHGBMNM-QZTJIDSGSA-N 2 0 333.520 2.539 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203508573 1312941882 /nfs/dbraw/zinc/94/18/82/1312941882.db2.gz ZDYGIRCZLNVWAB-ROUUACIJSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191987008 1292728962 /nfs/dbraw/zinc/72/89/62/1292728962.db2.gz CAZNIPDJUMXVCT-WBVHZDCISA-N 2 0 333.476 2.842 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514428 1312950008 /nfs/dbraw/zinc/95/00/08/1312950008.db2.gz DXLUGSDWEBHMNT-XUVXKRRUSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540987 1312951261 /nfs/dbraw/zinc/95/12/61/1312951261.db2.gz ZGNYWTLWZPOQCM-ROUUACIJSA-N 2 0 333.520 2.702 20 30 EFEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903839 1292923777 /nfs/dbraw/zinc/92/37/77/1292923777.db2.gz NRCLJXGCIVSOCF-FUMNGEBKSA-N 2 0 343.515 2.528 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016793184 1312983005 /nfs/dbraw/zinc/98/30/05/1312983005.db2.gz GTRAQQSKTCJQIA-MRXNPFEDSA-N 2 0 331.460 2.502 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408515 1293294873 /nfs/dbraw/zinc/29/48/73/1293294873.db2.gz LWNNUPWUKHPTDE-AZUAARDMSA-N 2 0 329.488 2.572 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498021 1293326102 /nfs/dbraw/zinc/32/61/02/1293326102.db2.gz FDJAUFBTVLGHBQ-HZPDHXFCSA-N 2 0 330.476 2.649 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203743577 1313004212 /nfs/dbraw/zinc/00/42/12/1313004212.db2.gz SUORFUUAIZFDNT-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC001203758433 1313008228 /nfs/dbraw/zinc/00/82/28/1313008228.db2.gz YCIHDARQHSZNCW-NHCUHLMSSA-N 2 0 339.483 2.739 20 30 EFEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C#N)c1)C2 ZINC001203761494 1313008616 /nfs/dbraw/zinc/00/86/16/1313008616.db2.gz AIBKKBPVGQUWPL-RTWAWAEBSA-N 2 0 339.483 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC/C=C\CCC)C2)CC1 ZINC001194246545 1293569533 /nfs/dbraw/zinc/56/95/33/1293569533.db2.gz OMBCGWZOEQYMTA-AQWUKCDYSA-N 2 0 345.531 2.611 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783331 1313013731 /nfs/dbraw/zinc/01/37/31/1313013731.db2.gz ROQSBNMKAMNPTF-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860492 1313015039 /nfs/dbraw/zinc/01/50/39/1313015039.db2.gz IHTNZPIFLWQEST-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563881 1313024493 /nfs/dbraw/zinc/02/44/93/1313024493.db2.gz IJVWQIOZFKVZIP-ROUUACIJSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825812 1313025929 /nfs/dbraw/zinc/02/59/29/1313025929.db2.gz VTIIEZZTEAQUTE-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922984 1313044054 /nfs/dbraw/zinc/04/40/54/1313044054.db2.gz GTHPZZIQDRQFFW-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924774 1313044852 /nfs/dbraw/zinc/04/48/52/1313044852.db2.gz YWNWLJBXYAZZAT-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195901005 1294063175 /nfs/dbraw/zinc/06/31/75/1294063175.db2.gz UAJROMPCUKNVMX-KRWDZBQOSA-N 2 0 332.492 2.897 20 30 EFEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195873815 1294066939 /nfs/dbraw/zinc/06/69/39/1294066939.db2.gz MXKONZATSRNZSQ-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCN1C(=O)C2(CC[NH+](CCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC001273711892 1294130203 /nfs/dbraw/zinc/13/02/03/1294130203.db2.gz MBLIMVQBXRUDDY-LJQANCHMSA-N 2 0 341.499 2.790 20 30 EFEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C[C@H]4CCCO4)(C2)CCC3)cc1C#N ZINC001276433684 1313061069 /nfs/dbraw/zinc/06/10/69/1313061069.db2.gz OICLKEBPWILWJT-HSALFYBXSA-N 2 0 342.487 2.600 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196424494 1294242750 /nfs/dbraw/zinc/24/27/50/1294242750.db2.gz YSHLOCWDTFATFO-INIZCTEOSA-N 2 0 326.444 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596454 1313066688 /nfs/dbraw/zinc/06/66/88/1313066688.db2.gz WQPWMZLPUKXPOZ-OALUTQOASA-N 2 0 338.455 2.979 20 30 EFEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001276435965 1313068054 /nfs/dbraw/zinc/06/80/54/1313068054.db2.gz HPJMSTDNTIISQC-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000303771744 1294577321 /nfs/dbraw/zinc/57/73/21/1294577321.db2.gz CWQVSOXVDUCXJA-IRXDYDNUSA-N 2 0 346.519 2.746 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303774989 1294578401 /nfs/dbraw/zinc/57/84/01/1294578401.db2.gz GLOVHMYVJQKKHL-GOSISDBHSA-N 2 0 346.519 2.895 20 30 EFEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+](C)C ZINC000303778708 1294579658 /nfs/dbraw/zinc/57/96/58/1294579658.db2.gz JUCYZVAWJDMXCL-OAHLLOKOSA-N 2 0 334.464 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccc(C)cc1 ZINC000303779881 1294579850 /nfs/dbraw/zinc/57/98/50/1294579850.db2.gz KXWFRUUDDPVUOW-QGZVFWFLSA-N 2 0 334.533 2.617 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)c1 ZINC000303776971 1294580203 /nfs/dbraw/zinc/58/02/03/1294580203.db2.gz IEKAZKKHJLLFBZ-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303791534 1294582870 /nfs/dbraw/zinc/58/28/70/1294582870.db2.gz XOXYNHVPIDSMPW-OAHLLOKOSA-N 2 0 346.475 2.839 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000303792764 1294583232 /nfs/dbraw/zinc/58/32/32/1294583232.db2.gz YRWVSEVDRFRWLI-QGZVFWFLSA-N 2 0 346.519 2.892 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303791533 1294583342 /nfs/dbraw/zinc/58/33/42/1294583342.db2.gz XOXYNHVPIDSMPW-HNNXBMFYSA-N 2 0 346.475 2.839 20 30 EFEDRP C[C@@H]1CN(C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000303793323 1294583554 /nfs/dbraw/zinc/58/35/54/1294583554.db2.gz ZLOMKKMKAUAFHI-CALCHBBNSA-N 2 0 346.519 2.582 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303870723 1294593238 /nfs/dbraw/zinc/59/32/38/1294593238.db2.gz BJEJNNHWGWCBAR-BBWFWOEESA-N 2 0 346.519 2.604 20 30 EFEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000303869616 1294593878 /nfs/dbraw/zinc/59/38/78/1294593878.db2.gz DZZQZFDTMBSUTM-ZDUSSCGKSA-N 2 0 330.354 2.652 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000303879922 1294595311 /nfs/dbraw/zinc/59/53/11/1294595311.db2.gz GUVXGULYHHOTAZ-INIZCTEOSA-N 2 0 346.544 2.782 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303890790 1294597605 /nfs/dbraw/zinc/59/76/05/1294597605.db2.gz MQCHBNWERIDURH-ZACQAIPSSA-N 2 0 346.519 2.604 20 30 EFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303897973 1294598938 /nfs/dbraw/zinc/59/89/38/1294598938.db2.gz QXQMJILHDDGUJY-HDICACEKSA-N 2 0 330.520 2.892 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000303893013 1294599300 /nfs/dbraw/zinc/59/93/00/1294599300.db2.gz NZHDDPJUCHFZMF-ZIAGYGMSSA-N 2 0 334.464 2.693 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000303895359 1294599948 /nfs/dbraw/zinc/59/99/48/1294599948.db2.gz PJPUZWRJQDIRMG-GJZGRUSLSA-N 2 0 348.491 2.798 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303902473 1294600935 /nfs/dbraw/zinc/60/09/35/1294600935.db2.gz UBBQVYQFLKOYLR-OAHLLOKOSA-N 2 0 348.491 2.943 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@H](C)CC(C)C)CC2)CC1 ZINC001198236520 1294949565 /nfs/dbraw/zinc/94/95/65/1294949565.db2.gz NIBKHPBSCLSZOV-LJQANCHMSA-N 2 0 347.547 2.548 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001234402482 1313120328 /nfs/dbraw/zinc/12/03/28/1313120328.db2.gz LPLTYPSPONTSQE-DLBZAZTESA-N 2 0 332.492 2.896 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640240 1313122085 /nfs/dbraw/zinc/12/20/85/1313122085.db2.gz UMRUXALXXLIOPL-QZTJIDSGSA-N 2 0 333.520 2.892 20 30 EFEDRP CCCCCCC/C=C/C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276457664 1313127776 /nfs/dbraw/zinc/12/77/76/1313127776.db2.gz RWTZJTMQZPBRIC-WNGAPAKLSA-N 2 0 337.552 2.850 20 30 EFEDRP C=CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198894935 1295296777 /nfs/dbraw/zinc/29/67/77/1295296777.db2.gz MHVBCLJJNJSWLV-MSOLQXFVSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968539 1295366418 /nfs/dbraw/zinc/36/64/18/1295366418.db2.gz NLNPXVQCODIDLD-GOSISDBHSA-N 2 0 347.503 2.750 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1OC ZINC001198984316 1295375383 /nfs/dbraw/zinc/37/53/83/1295375383.db2.gz OIXWQODATLDFQJ-GOSISDBHSA-N 2 0 345.487 2.504 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000103338105 1295684870 /nfs/dbraw/zinc/68/48/70/1295684870.db2.gz WLVOQBZLRLREMU-OAHLLOKOSA-N 2 0 346.500 2.918 20 30 EFEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+](C)C ZINC000104161108 1295731900 /nfs/dbraw/zinc/73/19/00/1295731900.db2.gz QEBLKNBGWVGZJF-INIZCTEOSA-N 2 0 348.491 2.941 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000104162758 1295732199 /nfs/dbraw/zinc/73/21/99/1295732199.db2.gz OBULIMSBDSIUFT-INIZCTEOSA-N 2 0 346.544 2.925 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000304684765 1295732994 /nfs/dbraw/zinc/73/29/94/1295732994.db2.gz FXAZQRXHIVIGGN-MRXNPFEDSA-N 2 0 345.535 2.953 20 30 EFEDRP CCCC[N@H+](C)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304739110 1295746313 /nfs/dbraw/zinc/74/63/13/1295746313.db2.gz AZYNCUKJUKFPTC-UHFFFAOYSA-N 2 0 346.397 2.721 20 30 EFEDRP CCC(CC)(CNC(=[NH2+])N[C@@H](C)COC)[NH2+][C@@H](C)c1ccccc1 ZINC000304752209 1295748419 /nfs/dbraw/zinc/74/84/19/1295748419.db2.gz KALKXOLCFGIWNF-HOTGVXAUSA-N 2 0 334.508 2.835 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000304750820 1295748823 /nfs/dbraw/zinc/74/88/23/1295748823.db2.gz ISKMERGLTOPGQF-NVXWUHKLSA-N 2 0 332.492 2.577 20 30 EFEDRP CCOc1cc(Cl)ccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000305179470 1295966936 /nfs/dbraw/zinc/96/69/36/1295966936.db2.gz BPJLDJGJPSQMPT-HNNXBMFYSA-N 2 0 338.883 2.627 20 30 EFEDRP CCSCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277914480 1313213530 /nfs/dbraw/zinc/21/35/30/1313213530.db2.gz VJKAOWBQTVSLLA-HDICACEKSA-N 2 0 346.544 2.794 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC000903793807 1313224756 /nfs/dbraw/zinc/22/47/56/1313224756.db2.gz UODFSIAZFAUMEM-HXUWFJFHSA-N 2 0 335.451 2.584 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001275131429 1296238153 /nfs/dbraw/zinc/23/81/53/1296238153.db2.gz DONRBVNOJDGDDF-UHFFFAOYSA-N 2 0 334.467 2.879 20 30 EFEDRP C=CCCCCCCC[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205608 1313263557 /nfs/dbraw/zinc/26/35/57/1313263557.db2.gz OHRWIACPDBXLFP-UHFFFAOYSA-N 2 0 348.535 2.987 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318946 1313268907 /nfs/dbraw/zinc/26/89/07/1313268907.db2.gz WNXUFJUBKOGNFL-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1c1ccc(F)cc1 ZINC001205318402 1313269216 /nfs/dbraw/zinc/26/92/16/1313269216.db2.gz BTVGAKWJQQTRTM-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049767669 1313277898 /nfs/dbraw/zinc/27/78/98/1313277898.db2.gz QDRPDFVUXSNQEB-GUDVDZBRSA-N 2 0 333.520 2.891 20 30 EFEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001276242356 1296671716 /nfs/dbraw/zinc/67/17/16/1296671716.db2.gz KLVCNMPYRDEQDZ-UHFFFAOYSA-N 2 0 344.478 2.547 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205445898 1313290105 /nfs/dbraw/zinc/29/01/05/1313290105.db2.gz PJUKMMAKIJMSLA-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CC1 ZINC001235329578 1313290960 /nfs/dbraw/zinc/29/09/60/1313290960.db2.gz JEUNMDLLDZNPQG-YRIDSSQKSA-N 2 0 344.499 2.620 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960280777 1296697748 /nfs/dbraw/zinc/69/77/48/1296697748.db2.gz OCBWQIOCBWRQLH-RTBURBONSA-N 2 0 332.407 2.506 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452674 1313292199 /nfs/dbraw/zinc/29/21/99/1313292199.db2.gz NPBQMWRNUAEXEM-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464791 1313294535 /nfs/dbraw/zinc/29/45/35/1313294535.db2.gz XFDJKMGZYKFBNJ-IBGZPJMESA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464793 1313294892 /nfs/dbraw/zinc/29/48/92/1313294892.db2.gz XFDJKMGZYKFBNJ-LJQANCHMSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235339011 1313295839 /nfs/dbraw/zinc/29/58/39/1313295839.db2.gz WKQYDMPBCRWYMT-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201393643 1296762114 /nfs/dbraw/zinc/76/21/14/1296762114.db2.gz NACLFCHAZIBMDL-UHFFFAOYSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201379101 1296770593 /nfs/dbraw/zinc/77/05/93/1296770593.db2.gz WCNHQNIELKFQDK-KRWDZBQOSA-N 2 0 344.503 2.843 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440871 1296841700 /nfs/dbraw/zinc/84/17/00/1296841700.db2.gz NJGQODHYAOXNSH-UHFFFAOYSA-N 2 0 333.520 2.942 20 30 EFEDRP N#Cc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205558884 1313312843 /nfs/dbraw/zinc/31/28/43/1313312843.db2.gz KYTCHXLRDHYSFJ-OAHLLOKOSA-N 2 0 340.240 2.974 20 30 EFEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429085 1313319057 /nfs/dbraw/zinc/31/90/57/1313319057.db2.gz WVWRSAHKUBBXLB-OALUTQOASA-N 2 0 342.483 2.919 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807467 1313323286 /nfs/dbraw/zinc/32/32/86/1313323286.db2.gz SSMKBUOCFSNKHE-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)c(F)c3F)cc[nH+]2)CC1 ZINC001201667199 1296980215 /nfs/dbraw/zinc/98/02/15/1296980215.db2.gz NGNSQHCZLPZSAL-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205644608 1313329770 /nfs/dbraw/zinc/32/97/70/1313329770.db2.gz BUDKZGBBUQXZEJ-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3ccc(C(C)(C)C#N)nc3)cc[nH+]2)CC1 ZINC001201651391 1296998863 /nfs/dbraw/zinc/99/88/63/1296998863.db2.gz RXBULSODZPSAIH-UHFFFAOYSA-N 2 0 336.443 2.773 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205649605 1313331447 /nfs/dbraw/zinc/33/14/47/1313331447.db2.gz ZTQVTWCUFGPXEM-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP N#CCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277949553 1313337830 /nfs/dbraw/zinc/33/78/30/1313337830.db2.gz XEYUCCMRQCCFNW-UHFFFAOYSA-N 2 0 328.460 2.769 20 30 EFEDRP C=CCC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801679 1297090224 /nfs/dbraw/zinc/09/02/24/1297090224.db2.gz NCIDOWHUMBYKRF-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820903 1313342757 /nfs/dbraw/zinc/34/27/57/1313342757.db2.gz PKJIAOHPGHAKPJ-RBUKOAKNSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820902 1313342792 /nfs/dbraw/zinc/34/27/92/1313342792.db2.gz PKJIAOHPGHAKPJ-OALUTQOASA-N 2 0 333.520 2.748 20 30 EFEDRP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](CCCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277951669 1313345348 /nfs/dbraw/zinc/34/53/48/1313345348.db2.gz MGLGCKRWYXLHPH-HDICACEKSA-N 2 0 329.492 2.566 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205752039 1313350157 /nfs/dbraw/zinc/35/01/57/1313350157.db2.gz SYJAAPSWLGCCDN-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CCO2 ZINC001235608828 1313358756 /nfs/dbraw/zinc/35/87/56/1313358756.db2.gz HIOMVXSQILIDEN-PZJWPPBQSA-N 2 0 348.531 2.840 20 30 EFEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1CC3(C1)CC[NH2+]CC3)CCO2 ZINC001235630891 1313363041 /nfs/dbraw/zinc/36/30/41/1313363041.db2.gz HIOMVXSQILIDEN-TZIWHRDSSA-N 2 0 348.531 2.840 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835541 1313365796 /nfs/dbraw/zinc/36/57/96/1313365796.db2.gz JSHWHSSQRRRVKG-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049837742 1313369085 /nfs/dbraw/zinc/36/90/85/1313369085.db2.gz REMPXPIXSKZBBW-VAMGGRTRSA-N 2 0 345.531 2.730 20 30 EFEDRP N#CC1(c2ccccc2-c2cccc(N3CC[NH2+]CC3)c2)CC[NH2+]CC1 ZINC001205936025 1313377990 /nfs/dbraw/zinc/37/79/90/1313377990.db2.gz AQUZRASNIPAUOV-UHFFFAOYSA-N 2 0 346.478 2.908 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206007111 1313390271 /nfs/dbraw/zinc/39/02/71/1313390271.db2.gz ZBXPZXIJQGEDAL-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206282563 1313431245 /nfs/dbraw/zinc/43/12/45/1313431245.db2.gz VJCCYPBRQYGCCL-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CC1 ZINC001236020066 1313432058 /nfs/dbraw/zinc/43/20/58/1313432058.db2.gz DXKWGYLDWSAWOM-YRIDSSQKSA-N 2 0 344.499 2.620 20 30 EFEDRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236076559 1313438580 /nfs/dbraw/zinc/43/85/80/1313438580.db2.gz BOARYJZUZZHPLL-QHCPKHFHSA-N 2 0 345.490 2.694 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618673 1313441468 /nfs/dbraw/zinc/44/14/68/1313441468.db2.gz UIBLMVAHWPIZEI-OTWHNJEPSA-N 2 0 331.504 2.645 20 30 EFEDRP N#Cc1cccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC001236145520 1313446797 /nfs/dbraw/zinc/44/67/97/1313446797.db2.gz WVLZTHBLOGOUMD-UHFFFAOYSA-N 2 0 332.451 2.526 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439789 1298009082 /nfs/dbraw/zinc/00/90/82/1298009082.db2.gz VSZMTNKTGQENPC-MOPGFXCFSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006444100 1298144375 /nfs/dbraw/zinc/14/43/75/1298144375.db2.gz RLVFTVDSHBVPCB-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206549080 1313474209 /nfs/dbraw/zinc/47/42/09/1313474209.db2.gz UKFQMYONVOZBBI-IAGOWNOFSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913487 1313475442 /nfs/dbraw/zinc/47/54/42/1313475442.db2.gz YKFWJEBVOROSSN-RTBURBONSA-N 2 0 327.472 2.613 20 30 EFEDRP CCCCCCCC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399068 1313476481 /nfs/dbraw/zinc/47/64/81/1313476481.db2.gz LBCJDSSXRRZQAJ-UHFFFAOYSA-N 2 0 339.568 2.981 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913879 1313476703 /nfs/dbraw/zinc/47/67/03/1313476703.db2.gz JJACOIWBSRKABL-ZCNNSNEGSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914904 1313477818 /nfs/dbraw/zinc/47/78/18/1313477818.db2.gz SCIDXUPNNZZGEL-IPMKNSEASA-N 2 0 333.520 2.748 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156611 1298222931 /nfs/dbraw/zinc/22/29/31/1298222931.db2.gz LGTQAWKEXPQKAG-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199064 1298304746 /nfs/dbraw/zinc/30/47/46/1298304746.db2.gz JMHAJQMZZBCSPI-QZTJIDSGSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224123 1298358385 /nfs/dbraw/zinc/35/83/85/1298358385.db2.gz CXPCEWBTNRZQBW-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222661 1298358557 /nfs/dbraw/zinc/35/85/57/1298358557.db2.gz SHNZJZYIHHHARF-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234791 1298384358 /nfs/dbraw/zinc/38/43/58/1298384358.db2.gz XOYUEUVMZXMZNG-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206754020 1313502221 /nfs/dbraw/zinc/50/22/21/1313502221.db2.gz FJUDUDUHDCNNTQ-UHFFFAOYSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292534 1298509813 /nfs/dbraw/zinc/50/98/13/1298509813.db2.gz JREYCVPJCRQVRN-PMACEKPBSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865424 1313528093 /nfs/dbraw/zinc/52/80/93/1313528093.db2.gz OSEBTGXIHMVING-OAQYLSRUSA-N 2 0 343.515 2.868 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961365487 1298622076 /nfs/dbraw/zinc/62/20/76/1298622076.db2.gz DTNNGDBWZSJPDJ-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372295 1298636487 /nfs/dbraw/zinc/63/64/87/1298636487.db2.gz AVKAZQMIWOTQNL-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961375032 1298640696 /nfs/dbraw/zinc/64/06/96/1298640696.db2.gz NZXYPMXTBLXRFQ-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961377576 1298649891 /nfs/dbraw/zinc/64/98/91/1298649891.db2.gz XNZMUJYKAXSIGW-PMACEKPBSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961412629 1298707809 /nfs/dbraw/zinc/70/78/09/1298707809.db2.gz UCPHZSAGVCOZFE-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961435357 1298743951 /nfs/dbraw/zinc/74/39/51/1298743951.db2.gz MIPGKKOHZSBISV-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017835928 1313548255 /nfs/dbraw/zinc/54/82/55/1313548255.db2.gz VDKWHCCCNLWOGF-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001206934358 1313559556 /nfs/dbraw/zinc/55/95/56/1313559556.db2.gz HVVZTPCKKDFEBS-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CC#N)CC3)c(F)c2)CC1 ZINC001236938094 1313557043 /nfs/dbraw/zinc/55/70/43/1313557043.db2.gz JCVLMSDYDYVNAZ-UHFFFAOYSA-N 2 0 330.451 2.703 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206949280 1313567056 /nfs/dbraw/zinc/56/70/56/1313567056.db2.gz XRRILHRPLFSPQJ-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951278 1313568291 /nfs/dbraw/zinc/56/82/91/1313568291.db2.gz IVORAHOOSOQICQ-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000852101781 1299546808 /nfs/dbraw/zinc/54/68/08/1299546808.db2.gz SSPVYAJADFRFDI-IBGZPJMESA-N 2 0 345.512 2.565 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@H]2CC ZINC001207279765 1313651217 /nfs/dbraw/zinc/65/12/17/1313651217.db2.gz JMSWHDTVDYQAEN-PXNSSMCTSA-N 2 0 335.536 2.996 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(Cl)cc(C#N)c3)CC2)CC1 ZINC001237755514 1313702140 /nfs/dbraw/zinc/70/21/40/1313702140.db2.gz QEGYVSLKPUFOBZ-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313536 1300574004 /nfs/dbraw/zinc/57/40/04/1300574004.db2.gz GCUIHVRUMCYGAZ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344968 1300649438 /nfs/dbraw/zinc/64/94/38/1300649438.db2.gz BRWNZXAHMGRQSN-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348616 1300659377 /nfs/dbraw/zinc/65/93/77/1300659377.db2.gz ZOMNVAAKJDOAJW-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358194 1300679809 /nfs/dbraw/zinc/67/98/09/1300679809.db2.gz PCWNOXWQOREOTR-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358977 1300682789 /nfs/dbraw/zinc/68/27/89/1300682789.db2.gz ZOFMYQXQMADGCQ-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363872 1300693688 /nfs/dbraw/zinc/69/36/88/1300693688.db2.gz AETZGFZMDRHNFS-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364391 1300696061 /nfs/dbraw/zinc/69/60/61/1300696061.db2.gz BYGHOSPXUZHCEX-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384582 1300742735 /nfs/dbraw/zinc/74/27/35/1300742735.db2.gz VHAFAMHRZVEINK-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413252 1300796074 /nfs/dbraw/zinc/79/60/74/1300796074.db2.gz CXVOHAUYKXUQLD-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP N#Cc1ccc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278166112 1313735072 /nfs/dbraw/zinc/73/50/72/1313735072.db2.gz FCXRDGOGVNLZMU-OYRHEFFESA-N 2 0 349.482 2.668 20 30 EFEDRP CCN(CC)c1ccc(/C=[NH+]/CC2([NH+](C)C)CCOCC2)c(O)c1 ZINC000113771490 1301172746 /nfs/dbraw/zinc/17/27/46/1301172746.db2.gz SCCBXIQPZOCXMY-XSFVSMFZSA-N 2 0 333.476 2.768 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000963933453 1301492814 /nfs/dbraw/zinc/49/28/14/1301492814.db2.gz LKMYSCGRPSXOLK-FUSSNKQKSA-N 2 0 333.520 2.557 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000963946581 1301505178 /nfs/dbraw/zinc/50/51/78/1301505178.db2.gz GNXMLLZLPZJBFX-JWALYWQKSA-N 2 0 331.504 2.596 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784030 1313773933 /nfs/dbraw/zinc/77/39/33/1313773933.db2.gz BZUQVKLABJSPIQ-ZHALLVOQSA-N 2 0 344.503 2.699 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000964022020 1301609927 /nfs/dbraw/zinc/60/99/27/1301609927.db2.gz SEEMLUXNHZQYEO-UHFFFAOYSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001202502222 1301644592 /nfs/dbraw/zinc/64/45/92/1301644592.db2.gz BMJVJHSZXPKCGN-IBGZPJMESA-N 2 0 339.499 2.746 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000964154559 1301679038 /nfs/dbraw/zinc/67/90/38/1301679038.db2.gz WXVBPZZRBBOKBJ-CTWPCTMYSA-N 2 0 333.520 2.633 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCCCF)CC3)cc1C#N ZINC001278205149 1313787027 /nfs/dbraw/zinc/78/70/27/1313787027.db2.gz BBMDXDDGUGJGFV-UHFFFAOYSA-N 2 0 332.467 2.934 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110868 1313849759 /nfs/dbraw/zinc/84/97/59/1313849759.db2.gz WGQVPZBIZLGCNS-UYAOXDASSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110866 1313849456 /nfs/dbraw/zinc/84/94/56/1313849456.db2.gz WGQVPZBIZLGCNS-ICSRJNTNSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOCc1ncn2c1CN(CC1(C[NH+](C)C)CCCC1)CCC2 ZINC001208186434 1313864630 /nfs/dbraw/zinc/86/46/30/1313864630.db2.gz VJEVAIPNMMPVDU-UHFFFAOYSA-N 2 0 346.519 2.913 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000965093456 1302836069 /nfs/dbraw/zinc/83/60/69/1302836069.db2.gz OJMGFHZZYLPCLR-UHFFFAOYSA-N 2 0 341.499 2.607 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208331041 1313901047 /nfs/dbraw/zinc/90/10/47/1313901047.db2.gz JSCPRKPGTUEFIY-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000965813432 1303324874 /nfs/dbraw/zinc/32/48/74/1303324874.db2.gz FOPXTBTZVOXVJP-WZXTXQKWSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000965933249 1303466862 /nfs/dbraw/zinc/46/68/62/1303466862.db2.gz VOAMRASVZMXJRO-UHFFFAOYSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218966 1313914742 /nfs/dbraw/zinc/91/47/42/1313914742.db2.gz NUNSUKANIWESRA-AKHDSKFASA-N 2 0 331.504 2.691 20 30 EFEDRP C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001239251569 1313919231 /nfs/dbraw/zinc/91/92/31/1313919231.db2.gz CZEMLUFGCDKMBI-UHFFFAOYSA-N 2 0 346.519 2.973 20 30 EFEDRP N#Cc1cc(F)ccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000866703971 1303757514 /nfs/dbraw/zinc/75/75/14/1303757514.db2.gz QSFSXAFNHNNRQJ-UHFFFAOYSA-N 2 0 330.451 2.599 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC001037874919 1303980671 /nfs/dbraw/zinc/98/06/71/1303980671.db2.gz IVRLNCVCZJTWCJ-PBHICJAKSA-N 2 0 346.862 2.917 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CC ZINC001037874926 1303980932 /nfs/dbraw/zinc/98/09/32/1303980932.db2.gz IVRLNCVCZJTWCJ-YOEHRIQHSA-N 2 0 346.862 2.917 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563870 1313962225 /nfs/dbraw/zinc/96/22/25/1313962225.db2.gz GKTFOKNNFJWGDI-DOTOQJQBSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1ccnc1 ZINC001114898955 1304192815 /nfs/dbraw/zinc/19/28/15/1304192815.db2.gz JQPUEOKMTMZZDF-IMBTUZDBSA-N 2 0 330.476 2.627 20 30 EFEDRP C#CCOc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276576659 1314000829 /nfs/dbraw/zinc/00/08/29/1314000829.db2.gz LAAYOBRLHVAXPS-FQEVSTJZSA-N 2 0 328.456 2.625 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403703 1304951841 /nfs/dbraw/zinc/95/18/41/1304951841.db2.gz ZIABOZBLBFMEAL-FUHWJXTLSA-N 2 0 344.503 2.555 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423703 1304975079 /nfs/dbraw/zinc/97/50/79/1304975079.db2.gz IOJGVIGLURGRBD-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C[C@@H](c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1)N1CC[NH2+]CC1 ZINC001240360545 1314024848 /nfs/dbraw/zinc/02/48/48/1314024848.db2.gz OWUUMUZOGMHNPY-INIZCTEOSA-N 2 0 346.478 2.878 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001037955456 1305305259 /nfs/dbraw/zinc/30/52/59/1305305259.db2.gz BOHYOMZCKWLXQR-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP CCC[NH+](CCC)CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926782 1314048689 /nfs/dbraw/zinc/04/86/89/1314048689.db2.gz BLMWXZXFZDYYLY-UHFFFAOYSA-N 2 0 342.531 2.840 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1CC ZINC001037981409 1305576767 /nfs/dbraw/zinc/57/67/67/1305576767.db2.gz DXDLJSLZXOVZMV-IEBWSBKVSA-N 2 0 329.488 2.765 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCC1(O)CC[NH2+]CC1 ZINC001245984743 1314559135 /nfs/dbraw/zinc/55/91/35/1314559135.db2.gz YCUPNSCRBRLOOE-GOSISDBHSA-N 2 0 328.541 2.972 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001043452238 1305804627 /nfs/dbraw/zinc/80/46/27/1305804627.db2.gz DNLFHDHTEPQKEK-UHFFFAOYSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCCCC[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001209203717 1314114920 /nfs/dbraw/zinc/11/49/20/1314114920.db2.gz UTLJPIDZBUZJCD-UHFFFAOYSA-N 2 0 332.492 2.646 20 30 EFEDRP C=CCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209204041 1314115596 /nfs/dbraw/zinc/11/55/96/1314115596.db2.gz XYRVGJGOZVZKLK-UHFFFAOYSA-N 2 0 332.492 2.647 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419531 1306289476 /nfs/dbraw/zinc/28/94/76/1306289476.db2.gz USGQTWFCRBUGML-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209263408 1314128111 /nfs/dbraw/zinc/12/81/11/1314128111.db2.gz KZOLPZAWPDRMAG-SFTDATJTSA-N 2 0 330.516 2.860 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209264289 1314128343 /nfs/dbraw/zinc/12/83/43/1314128343.db2.gz ZPYKUTXBXHIHKH-LJQANCHMSA-N 2 0 327.472 2.550 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672416 1306554720 /nfs/dbraw/zinc/55/47/20/1306554720.db2.gz CGRYDEKLAWNGQR-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672417 1306554943 /nfs/dbraw/zinc/55/49/43/1306554943.db2.gz CGRYDEKLAWNGQR-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683221 1306564847 /nfs/dbraw/zinc/56/48/47/1306564847.db2.gz ZVMWQJSLRWPNBL-MJGOQNOKSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001044655639 1306695234 /nfs/dbraw/zinc/69/52/34/1306695234.db2.gz CINCUDBZQITNKG-UKRRQHHQSA-N 2 0 346.862 2.978 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044680202 1306711963 /nfs/dbraw/zinc/71/19/63/1306711963.db2.gz DUDSXKXTGQSVRS-HIFRSBDPSA-N 2 0 332.835 2.670 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887357 1306761339 /nfs/dbraw/zinc/76/13/39/1306761339.db2.gz BRGSMCSTHOWAFG-WOJBJXKFSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888640 1306764136 /nfs/dbraw/zinc/76/41/36/1306764136.db2.gz XMNVSSOUKXRMDC-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934531 1306814501 /nfs/dbraw/zinc/81/45/01/1306814501.db2.gz ZOYCZQIRMWLSKE-SFHVURJKSA-N 2 0 333.520 2.942 20 30 EFEDRP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955441 1306837122 /nfs/dbraw/zinc/83/71/22/1306837122.db2.gz VUOQXBVKQVWMCA-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=CCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209437495 1314163464 /nfs/dbraw/zinc/16/34/64/1314163464.db2.gz MKNXEILVOGHOIP-UHFFFAOYSA-N 2 0 332.492 2.647 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045475871 1307365819 /nfs/dbraw/zinc/36/58/19/1307365819.db2.gz VAXYAZOQYYWUMP-QZTJIDSGSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585202 1307448360 /nfs/dbraw/zinc/44/83/60/1307448360.db2.gz OXCMHVKBSSRNPV-MSOLQXFVSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001045646131 1307498337 /nfs/dbraw/zinc/49/83/37/1307498337.db2.gz DTLXDWBCHMEUHQ-UHFFFAOYSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001045651066 1307502875 /nfs/dbraw/zinc/50/28/75/1307502875.db2.gz ZXUAZTGWMJCVHR-UHFFFAOYSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209644146 1314208660 /nfs/dbraw/zinc/20/86/60/1314208660.db2.gz ZBJMVGJKRKRWPA-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938628 1307941991 /nfs/dbraw/zinc/94/19/91/1307941991.db2.gz HCHMRCXRISMXGP-QKNQBKEWSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278199 1307956112 /nfs/dbraw/zinc/95/61/12/1307956112.db2.gz VZSHXZFSZAVFCT-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943064 1307956949 /nfs/dbraw/zinc/95/69/49/1307956949.db2.gz FVNCWNCWQVERRN-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945553 1307965895 /nfs/dbraw/zinc/96/58/95/1307965895.db2.gz VUBKVFRAZURXSZ-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045946857 1307968062 /nfs/dbraw/zinc/96/80/62/1307968062.db2.gz BWRYKHDXZHTDBC-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045948728 1307974344 /nfs/dbraw/zinc/97/43/44/1307974344.db2.gz QLVVLBXJQYSASA-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949143 1307975263 /nfs/dbraw/zinc/97/52/63/1307975263.db2.gz YMSJTAQRZABQCN-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958661 1307999916 /nfs/dbraw/zinc/99/99/16/1307999916.db2.gz VTBNHQLZPNVCKO-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045962134 1308011471 /nfs/dbraw/zinc/01/14/71/1308011471.db2.gz XQGIHFHHXSIXOC-ZJOUEHCJSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045966977 1308023612 /nfs/dbraw/zinc/02/36/12/1308023612.db2.gz KMBFMIMUHVCAEH-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045966978 1308024144 /nfs/dbraw/zinc/02/41/44/1308024144.db2.gz KMBFMIMUHVCAEH-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976120 1308050546 /nfs/dbraw/zinc/05/05/46/1308050546.db2.gz RCINDEDDGZMPLF-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977283 1308055754 /nfs/dbraw/zinc/05/57/54/1308055754.db2.gz ABGKPKPZWLATTO-NRFANRHFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045980098 1308065475 /nfs/dbraw/zinc/06/54/75/1308065475.db2.gz QSMZXWIUNZLJQP-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982958 1308076866 /nfs/dbraw/zinc/07/68/66/1308076866.db2.gz HQUMOZFOCAUXGB-GOSISDBHSA-N 2 0 339.911 2.539 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986432 1308086836 /nfs/dbraw/zinc/08/68/36/1308086836.db2.gz QPVFMGMHEZWJHE-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986538 1308088582 /nfs/dbraw/zinc/08/85/82/1308088582.db2.gz TXPRVDAGQOUYDE-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001019279419 1314250854 /nfs/dbraw/zinc/25/08/54/1314250854.db2.gz AVMLNLRLLNEQFO-DOTOQJQBSA-N 2 0 339.911 2.727 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703212 1314311217 /nfs/dbraw/zinc/31/12/17/1314311217.db2.gz RGVXPKIVMJUJFF-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708489 1314315075 /nfs/dbraw/zinc/31/50/75/1314315075.db2.gz BNZROORUYJIIQV-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046938100 1309718324 /nfs/dbraw/zinc/71/83/24/1309718324.db2.gz OKYXADSFBCYTSE-HOTGVXAUSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046951142 1309749591 /nfs/dbraw/zinc/74/95/91/1309749591.db2.gz OWSBIDAAICYKHM-CQSZACIVSA-N 2 0 348.397 2.516 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614826 1314361002 /nfs/dbraw/zinc/36/10/02/1314361002.db2.gz JYSAEYPJSPACEZ-AZUAARDMSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614992 1314361124 /nfs/dbraw/zinc/36/11/24/1314361124.db2.gz JYSAEYPJSPACEZ-UYAOXDASSA-N 2 0 329.488 2.620 20 30 EFEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047244050 1310398934 /nfs/dbraw/zinc/39/89/34/1310398934.db2.gz PJGVSEAYLAHMSS-PMACEKPBSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047243997 1310399218 /nfs/dbraw/zinc/39/92/18/1310399218.db2.gz OPBXHLJDGVXANV-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047253505 1310424303 /nfs/dbraw/zinc/42/43/03/1310424303.db2.gz AJTWHDJQAGBCFO-VQTJNVASSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047253633 1310424527 /nfs/dbraw/zinc/42/45/27/1310424527.db2.gz FCWJCCMBPKKZHC-RBUKOAKNSA-N 2 0 335.536 2.709 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047254421 1310425970 /nfs/dbraw/zinc/42/59/70/1310425970.db2.gz PJGVSEAYLAHMSS-WOJBJXKFSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257635 1310432901 /nfs/dbraw/zinc/43/29/01/1310432901.db2.gz SMKRDJNBHOMFGH-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047258172 1310435429 /nfs/dbraw/zinc/43/54/29/1310435429.db2.gz WEMTWHPSLMKCOZ-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047264849 1310456752 /nfs/dbraw/zinc/45/67/52/1310456752.db2.gz VEBOUNGFZOKLGV-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047264848 1310456854 /nfs/dbraw/zinc/45/68/54/1310456854.db2.gz VEBOUNGFZOKLGV-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848235 1311042325 /nfs/dbraw/zinc/04/23/25/1311042325.db2.gz FVSKSHQVVKRXCX-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222071770 1311078405 /nfs/dbraw/zinc/07/84/05/1311078405.db2.gz COQBMSWCXNEQPQ-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001099490168 1311097224 /nfs/dbraw/zinc/09/72/24/1311097224.db2.gz QMTCGESUFOEAQA-NBYUQASBSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001099490167 1311097339 /nfs/dbraw/zinc/09/73/39/1311097339.db2.gz QMTCGESUFOEAQA-LEAZDLGRSA-N 2 0 345.531 2.606 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001276858298 1311211324 /nfs/dbraw/zinc/21/13/24/1311211324.db2.gz DYLXFQYAFXGKSD-OYRHEFFESA-N 2 0 340.515 2.572 20 30 EFEDRP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(F)c1C#N ZINC001276858563 1311212052 /nfs/dbraw/zinc/21/20/52/1311212052.db2.gz KKCILLHZLKSIPZ-GASCZTMLSA-N 2 0 330.451 2.537 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001223194862 1311229175 /nfs/dbraw/zinc/22/91/75/1311229175.db2.gz TYSONCWPIBMWPZ-OALUTQOASA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435448 1311241528 /nfs/dbraw/zinc/24/15/28/1311241528.db2.gz PLXAUAVGZNPSBP-GGPKGHCWSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489765 1311267909 /nfs/dbraw/zinc/26/79/09/1311267909.db2.gz VYDBHLPEVNHXDB-QRVBRYPASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223698227 1311293550 /nfs/dbraw/zinc/29/35/50/1311293550.db2.gz ZOMXQVVJJJUVMB-CEXWTWQISA-N 2 0 335.536 2.852 20 30 EFEDRP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901131 1311318551 /nfs/dbraw/zinc/31/85/51/1311318551.db2.gz RHNGQWKFWIBGOK-UXHICEINSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223984626 1311329235 /nfs/dbraw/zinc/32/92/35/1311329235.db2.gz HKHQAAINEFTUNK-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001224216068 1311361869 /nfs/dbraw/zinc/36/18/69/1311361869.db2.gz YNLXPGZZMTUYOS-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C#CCCC[NH+]1CCC([NH+]2CCC(C(=O)N(CC)C(C)C)CC2)CC1 ZINC001276980160 1311406185 /nfs/dbraw/zinc/40/61/85/1311406185.db2.gz SXEZIFGIYHNCHT-UHFFFAOYSA-N 2 0 347.547 2.833 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224560599 1311407216 /nfs/dbraw/zinc/40/72/16/1311407216.db2.gz WMJGPBMVOKRIHF-LJQANCHMSA-N 2 0 339.499 2.603 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCC(C)C)CC1 ZINC001158913965 1311415633 /nfs/dbraw/zinc/41/56/33/1311415633.db2.gz IAQJEKWYCPVPJK-HXUWFJFHSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913789 1311415704 /nfs/dbraw/zinc/41/57/04/1311415704.db2.gz DFVODYCSZOYHER-HXUWFJFHSA-N 2 0 341.499 2.698 20 30 EFEDRP N#Cc1c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)sc2c1CC[NH2+]C2 ZINC001159159971 1311463606 /nfs/dbraw/zinc/46/36/06/1311463606.db2.gz UTCZLPFABWUTGL-UHFFFAOYSA-N 2 0 335.436 2.568 20 30 EFEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225142869 1311481878 /nfs/dbraw/zinc/48/18/78/1311481878.db2.gz QQMHONFLOVEDFO-HXUWFJFHSA-N 2 0 341.499 2.531 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001225154971 1311484217 /nfs/dbraw/zinc/48/42/17/1311484217.db2.gz LBVSTZUICBAJOL-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167867 1311485337 /nfs/dbraw/zinc/48/53/37/1311485337.db2.gz DMPYMLJBDXBXBX-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001225563973 1311544267 /nfs/dbraw/zinc/54/42/67/1311544267.db2.gz OHUJJXAHKRQLIS-UHFFFAOYSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131471 1311650971 /nfs/dbraw/zinc/65/09/71/1311650971.db2.gz MZQNWQTVGNLFCY-RBUKOAKNSA-N 2 0 331.504 2.575 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359923 1311696276 /nfs/dbraw/zinc/69/62/76/1311696276.db2.gz GJQQJIQCVTXTCH-HXUWFJFHSA-N 2 0 343.515 2.555 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400453 1311703604 /nfs/dbraw/zinc/70/36/04/1311703604.db2.gz RHIXZFUOFSDQBF-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467249 1311716911 /nfs/dbraw/zinc/71/69/11/1311716911.db2.gz PUBVTIPQGVFYIO-OALUTQOASA-N 2 0 331.504 2.718 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767176 1311720037 /nfs/dbraw/zinc/72/00/37/1311720037.db2.gz SMJJRXAMXVJQIL-IPMKNSEASA-N 2 0 335.536 2.948 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499773 1311723169 /nfs/dbraw/zinc/72/31/69/1311723169.db2.gz ICMVVAQXJXVLCD-MJGOQNOKSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCCCCC[NH+]1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277160707 1311733355 /nfs/dbraw/zinc/73/33/55/1311733355.db2.gz VRCAPCZNJPAGJY-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559703 1311736945 /nfs/dbraw/zinc/73/69/45/1311736945.db2.gz OLUUTLSDHUSSHY-UHFFFAOYSA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028752 1311753992 /nfs/dbraw/zinc/75/39/92/1311753992.db2.gz LOEKCGGQQQLVTO-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C#C[C@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)C(C)C ZINC001227164566 1311770662 /nfs/dbraw/zinc/77/06/62/1311770662.db2.gz KGMAUPIWABGWEF-FQEVSTJZSA-N 3 0 345.531 2.908 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227184281 1311773318 /nfs/dbraw/zinc/77/33/18/1311773318.db2.gz IHLQILHPMVPHHL-QZTJIDSGSA-N 2 0 330.476 2.501 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227192682 1311775296 /nfs/dbraw/zinc/77/52/96/1311775296.db2.gz CFWSQKIOVPJBRY-RTBURBONSA-N 2 0 344.503 2.891 20 30 EFEDRP C=CC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160810660 1311786592 /nfs/dbraw/zinc/78/65/92/1311786592.db2.gz UGKVMIUAEUIUNM-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303018 1311790919 /nfs/dbraw/zinc/79/09/19/1311790919.db2.gz RRNHVPOPFWZUTG-QZTJIDSGSA-N 2 0 326.444 2.931 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856809 1311798109 /nfs/dbraw/zinc/79/81/09/1311798109.db2.gz RGEDFBBAQJWJLW-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020163 1311838848 /nfs/dbraw/zinc/83/88/48/1311838848.db2.gz DSSPPLQSOSGUBZ-QGZVFWFLSA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048532218 1311870315 /nfs/dbraw/zinc/87/03/15/1311870315.db2.gz VYWTZHZPVMFQAZ-HAGHYFMRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383037 1311874660 /nfs/dbraw/zinc/87/46/60/1311874660.db2.gz GAHDXPPYMBRROU-SFHVURJKSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444239 1311890884 /nfs/dbraw/zinc/89/08/84/1311890884.db2.gz AEVGPEODKPMRMC-RTBURBONSA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001228105158 1311899713 /nfs/dbraw/zinc/89/97/13/1311899713.db2.gz BNOLPSPTNAJTHF-UHFFFAOYSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048561784 1311907411 /nfs/dbraw/zinc/90/74/11/1311907411.db2.gz FKVXMQHQIJDNMV-FQBWVUSXSA-N 2 0 333.520 2.510 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001228151458 1311908106 /nfs/dbraw/zinc/90/81/06/1311908106.db2.gz VGBDLVZWBWOHGL-AQNXPRMDSA-N 2 0 345.531 2.824 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228207681 1311915347 /nfs/dbraw/zinc/91/53/47/1311915347.db2.gz YHYWHUJEWROLGR-IAGOWNOFSA-N 2 0 333.476 2.938 20 30 EFEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572230 1311919793 /nfs/dbraw/zinc/91/97/93/1311919793.db2.gz COFMLYRVJYZNPR-YRPNKDGESA-N 2 0 345.531 2.632 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704695 1311955266 /nfs/dbraw/zinc/95/52/66/1311955266.db2.gz GFAKQNKPXODZKM-RTBURBONSA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893876 1311997218 /nfs/dbraw/zinc/99/72/18/1311997218.db2.gz TTWVHLXBSXSEIF-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161951994 1312011431 /nfs/dbraw/zinc/01/14/31/1312011431.db2.gz ABXNYKJKSAANDS-LJQANCHMSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952334 1312011780 /nfs/dbraw/zinc/01/17/80/1312011780.db2.gz GPAILPUFEAJGJT-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161952975 1312012510 /nfs/dbraw/zinc/01/25/10/1312012510.db2.gz NPWJDCXDWJAEIZ-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902740457 1312067018 /nfs/dbraw/zinc/06/70/18/1312067018.db2.gz UWOSZYPZIWHQCL-PMACEKPBSA-N 2 0 328.504 2.871 20 30 EFEDRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1 ZINC000902750445 1312075636 /nfs/dbraw/zinc/07/56/36/1312075636.db2.gz IBRITFKZIUVERT-HXUWFJFHSA-N 2 0 349.482 2.946 20 30 EFEDRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1 ZINC000902750444 1312076067 /nfs/dbraw/zinc/07/60/67/1312076067.db2.gz IBRITFKZIUVERT-FQEVSTJZSA-N 2 0 349.482 2.946 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001229615523 1312120159 /nfs/dbraw/zinc/12/01/59/1312120159.db2.gz NSFYULUXWDNGDT-GUDVDZBRSA-N 2 0 333.520 2.681 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048821420 1312165294 /nfs/dbraw/zinc/16/52/94/1312165294.db2.gz ZLOHXJCRPCVIMW-HDICACEKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230017540 1312171793 /nfs/dbraw/zinc/17/17/93/1312171793.db2.gz ZXXYLQNASJIHOI-IBGZPJMESA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162841096 1312187733 /nfs/dbraw/zinc/18/77/33/1312187733.db2.gz LRTKEFMYAYGFBT-LJQANCHMSA-N 2 0 331.504 2.564 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001162906507 1312200678 /nfs/dbraw/zinc/20/06/78/1312200678.db2.gz MRZFSNCQUJWBNY-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001162919370 1312204100 /nfs/dbraw/zinc/20/41/00/1312204100.db2.gz QSOGLKWSIGJDFW-HXUWFJFHSA-N 2 0 345.531 2.810 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001162928832 1312206099 /nfs/dbraw/zinc/20/60/99/1312206099.db2.gz OYZYSYXVLSTAHX-LJQANCHMSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162934315 1312206577 /nfs/dbraw/zinc/20/65/77/1312206577.db2.gz AQHNRLRNULBTHA-FQEVSTJZSA-N 2 0 345.531 2.954 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256831 1312211400 /nfs/dbraw/zinc/21/14/00/1312211400.db2.gz BZBAZEUITJUCEK-HZPDHXFCSA-N 2 0 327.900 2.632 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977154 1312216722 /nfs/dbraw/zinc/21/67/22/1312216722.db2.gz HUFOKQIDTFTYGB-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001162982831 1312218387 /nfs/dbraw/zinc/21/83/87/1312218387.db2.gz QYUGCRZRYFNDLB-HXUWFJFHSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987697 1312219726 /nfs/dbraw/zinc/21/97/26/1312219726.db2.gz USFBYFZDQOJWND-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001163001906 1312223301 /nfs/dbraw/zinc/22/33/01/1312223301.db2.gz PZNALLWFLURCLQ-OALUTQOASA-N 2 0 343.515 2.706 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001163001540 1312223402 /nfs/dbraw/zinc/22/34/02/1312223402.db2.gz IVXWTNCAMIJVFU-UHFFFAOYSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081933 1312237080 /nfs/dbraw/zinc/23/70/80/1312237080.db2.gz NXFYWGOPUXELMD-RTBURBONSA-N 2 0 327.472 2.800 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001230537375 1312259853 /nfs/dbraw/zinc/25/98/53/1312259853.db2.gz FYWWRYJTNTXQSY-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163249066 1312273556 /nfs/dbraw/zinc/27/35/56/1312273556.db2.gz VEVSTUICMABEDB-QGZVFWFLSA-N 2 0 331.504 2.855 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610634 1312282086 /nfs/dbraw/zinc/28/20/86/1312282086.db2.gz FPYMELNDSLMVKR-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618445 1312286337 /nfs/dbraw/zinc/28/63/37/1312286337.db2.gz ORHAHYVHLZNVFA-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230621834 1312287985 /nfs/dbraw/zinc/28/79/85/1312287985.db2.gz HPPNFQMKJROIDR-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230783421 1312341533 /nfs/dbraw/zinc/34/15/33/1312341533.db2.gz IPTPWSUADLYDGI-LJQANCHMSA-N 2 0 346.519 2.696 20 30 EFEDRP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230784042 1312342396 /nfs/dbraw/zinc/34/23/96/1312342396.db2.gz WCXJJHLNTIZCLO-LJQANCHMSA-N 2 0 346.519 2.696 20 30 EFEDRP C=C(C)CC[N@@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829300 1312360849 /nfs/dbraw/zinc/36/08/49/1312360849.db2.gz DXXWQBQJPPXVII-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=CCC[C@H](C)[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835675 1312363194 /nfs/dbraw/zinc/36/31/94/1312363194.db2.gz RAURCBSHWQIEAJ-SFHVURJKSA-N 2 0 346.519 2.696 20 30 EFEDRP C=CCC[NH+](CCCNC(=O)CC[N@@H+](C)CCC)Cc1cccnc1 ZINC001230907035 1312388043 /nfs/dbraw/zinc/38/80/43/1312388043.db2.gz ZJXSSQVMPDNHGD-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556199 1312538663 /nfs/dbraw/zinc/53/86/63/1312538663.db2.gz SCPNMYMJFYBHKQ-LJQANCHMSA-N 2 0 347.547 2.951 20 30 EFEDRP C#Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1 ZINC001231655606 1312541652 /nfs/dbraw/zinc/54/16/52/1312541652.db2.gz SCPUCSITGHWVJE-VXKWHMMOSA-N 2 0 338.495 2.848 20 30 EFEDRP C#Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1 ZINC001231655607 1312541710 /nfs/dbraw/zinc/54/17/10/1312541710.db2.gz SCPUCSITGHWVJE-YADHBBJMSA-N 2 0 338.495 2.848 20 30 EFEDRP C#Cc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001231655976 1312542420 /nfs/dbraw/zinc/54/24/20/1312542420.db2.gz CYFSLWVFLHZOJB-UHFFFAOYSA-N 2 0 326.484 2.992 20 30 EFEDRP COC(C)(C)C[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277584604 1312584375 /nfs/dbraw/zinc/58/43/75/1312584375.db2.gz LUFULNSLECGEJA-UHFFFAOYSA-N 2 0 344.503 2.610 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052860882 1314428601 /nfs/dbraw/zinc/42/86/01/1314428601.db2.gz YYKOFOABLCVDPB-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952012 1314511226 /nfs/dbraw/zinc/51/12/26/1314511226.db2.gz AEGLJKSSCUPWPU-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958828 1314518258 /nfs/dbraw/zinc/51/82/58/1314518258.db2.gz PQTMOTYGRIWHPL-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967412 1314525353 /nfs/dbraw/zinc/52/53/53/1314525353.db2.gz HZGVPRPXCNBQOF-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245976090 1314557796 /nfs/dbraw/zinc/55/77/96/1314557796.db2.gz CRGGBRPVHUJFSN-INDMIFKZSA-N 2 0 326.525 2.702 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245980775 1314559509 /nfs/dbraw/zinc/55/95/09/1314559509.db2.gz CRGGBRPVHUJFSN-NCXUSEDFSA-N 2 0 326.525 2.702 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001245985865 1314559691 /nfs/dbraw/zinc/55/96/91/1314559691.db2.gz NDQDGBNLNQEDEG-ZWKOTPCHSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987469 1314559969 /nfs/dbraw/zinc/55/99/69/1314559969.db2.gz SCQGGDVIBCQQLM-QZTJIDSGSA-N 2 0 325.541 2.562 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001245990135 1314560869 /nfs/dbraw/zinc/56/08/69/1314560869.db2.gz PDPTTWQNWSMZPB-QRVBRYPASA-N 2 0 328.541 2.971 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001245991201 1314560949 /nfs/dbraw/zinc/56/09/49/1314560949.db2.gz UCUZFLMGZHHDMR-OALUTQOASA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997094 1314562650 /nfs/dbraw/zinc/56/26/50/1314562650.db2.gz UEZFEPXEQZIXKN-ROUUACIJSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCN1CCC([NH3+])CC1 ZINC001246010090 1314565877 /nfs/dbraw/zinc/56/58/77/1314565877.db2.gz WRACDQYPDRUYSA-IBGZPJMESA-N 2 0 327.557 2.891 20 30 EFEDRP C=CCCCCCC[C@H](O)C[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246068727 1314579092 /nfs/dbraw/zinc/57/90/92/1314579092.db2.gz JXLXDKRVPGXCPK-IBGZPJMESA-N 2 0 326.525 2.964 20 30 EFEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cc(C#N)c21 ZINC001246329326 1314610762 /nfs/dbraw/zinc/61/07/62/1314610762.db2.gz VANDRVUWJUYAPG-CKFHNAJUSA-N 2 0 338.455 2.834 20 30 EFEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329323 1314611367 /nfs/dbraw/zinc/61/13/67/1314611367.db2.gz VANDRVUWJUYAPG-BIENJYKASA-N 2 0 338.455 2.834 20 30 EFEDRP C[C@@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443376 1314629906 /nfs/dbraw/zinc/62/99/06/1314629906.db2.gz SJMGWABCKWSIDV-XLNTUCKNSA-N 3 0 326.488 2.771 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047039 1314631970 /nfs/dbraw/zinc/63/19/70/1314631970.db2.gz OZDCVVIYWTVHEY-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047042 1314632061 /nfs/dbraw/zinc/63/20/61/1314632061.db2.gz OZDCVVIYWTVHEY-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053126 1314642456 /nfs/dbraw/zinc/64/24/56/1314642456.db2.gz YWVJQBJDZMXYSO-RBUKOAKNSA-N 2 0 345.531 2.609 20 30 EFEDRP N#Cc1ccc(C2CCC([N@@H+]3CCC[C@](O)(C[NH3+])CC3)CC2)cc1 ZINC001246540409 1314645063 /nfs/dbraw/zinc/64/50/63/1314645063.db2.gz DVVRWEXYYMGVHL-SOAGJPPSSA-N 2 0 327.472 2.760 20 30 EFEDRP N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@](O)(C[NH3+])C3)CC2)cc1 ZINC001246561674 1314649053 /nfs/dbraw/zinc/64/90/53/1314649053.db2.gz SATRLLMSSSOKHG-MHJFOBGBSA-N 2 0 327.472 2.760 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@@H]2CC ZINC001246757437 1314678148 /nfs/dbraw/zinc/67/81/48/1314678148.db2.gz ITWHXTDIFMSZHP-BISRIHTFSA-N 2 0 331.504 2.691 20 30 EFEDRP CCCCCCCC[C@H](CCC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246824549 1314690224 /nfs/dbraw/zinc/69/02/24/1314690224.db2.gz YWVORMCKUAUTSY-FQEVSTJZSA-N 2 0 340.600 2.990 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094577 1314706387 /nfs/dbraw/zinc/70/63/87/1314706387.db2.gz GBNKHCYEHCKKHH-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCN[C@H](C#N)C2)c1 ZINC001246972865 1314719363 /nfs/dbraw/zinc/71/93/63/1314719363.db2.gz JWPJDLLTFDYAFG-MUGJNUQGSA-N 2 0 326.488 2.711 20 30 EFEDRP C=C1C[C@@H]2CC([N@H+]3CCC4(C[NH2+]C4)[C@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001247009194 1314730164 /nfs/dbraw/zinc/73/01/64/1314730164.db2.gz PMNNBWWNKCMCOR-WFFDWFOESA-N 2 0 332.488 2.596 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001215226715 1314802539 /nfs/dbraw/zinc/80/25/39/1314802539.db2.gz QOCXFVCREYNGBO-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP N#Cc1cccc(-c2noc([C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904488 1314863965 /nfs/dbraw/zinc/86/39/65/1314863965.db2.gz HFEWNMOGQFMVQN-INIZCTEOSA-N 2 0 337.427 2.540 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215977067 1314896108 /nfs/dbraw/zinc/89/61/08/1314896108.db2.gz CPAPGXTURIDMFN-FVQBIDKESA-N 2 0 329.916 2.542 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216842991 1315014474 /nfs/dbraw/zinc/01/44/74/1315014474.db2.gz QVSJQVSEZUFGEV-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846624 1315015075 /nfs/dbraw/zinc/01/50/75/1315015075.db2.gz QCUPHHCFBXUJIB-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038624008 1315049103 /nfs/dbraw/zinc/04/91/03/1315049103.db2.gz RQCNPGVIHJFYGN-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001054035776 1315198347 /nfs/dbraw/zinc/19/83/47/1315198347.db2.gz UVTUUNPZTPUTOD-PMACEKPBSA-N 2 0 341.499 2.590 20 30 EFEDRP CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)cc1 ZINC001218895398 1315256021 /nfs/dbraw/zinc/25/60/21/1315256021.db2.gz PCAYFIVEZBBOQG-GOSISDBHSA-N 2 0 336.439 2.823 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129237 1315337594 /nfs/dbraw/zinc/33/75/94/1315337594.db2.gz MYRODSLPEVPJRV-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054140788 1315355803 /nfs/dbraw/zinc/35/58/03/1315355803.db2.gz ZGTRATFEVSKQJH-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143711 1315361024 /nfs/dbraw/zinc/36/10/24/1315361024.db2.gz IMVCUTNRWMHPHM-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054152823 1315377551 /nfs/dbraw/zinc/37/75/51/1315377551.db2.gz HNOOIBFMZZUQIJ-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160117 1315387995 /nfs/dbraw/zinc/38/79/95/1315387995.db2.gz WBBUBSKHSBRMPH-IBGZPJMESA-N 2 0 331.504 2.505 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001252138875 1315417893 /nfs/dbraw/zinc/41/78/93/1315417893.db2.gz FMDDZMVULVLALO-HKUYNNGSSA-N 2 0 326.525 2.941 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054185235 1315426541 /nfs/dbraw/zinc/42/65/41/1315426541.db2.gz WFFWACXGJJLHSY-BJLQDIEVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220663300 1315438141 /nfs/dbraw/zinc/43/81/41/1315438141.db2.gz BSRLFXNKWJIKRU-AEFFLSMTSA-N 2 0 347.503 2.924 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054198009 1315443170 /nfs/dbraw/zinc/44/31/70/1315443170.db2.gz NIYRXRPYROZKPO-AEFFLSMTSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCOC[C@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001252466192 1315452994 /nfs/dbraw/zinc/45/29/94/1315452994.db2.gz NJIFXVNYSOLVFL-SEVLPDGMSA-N 2 0 344.499 2.660 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209010 1315458809 /nfs/dbraw/zinc/45/88/09/1315458809.db2.gz GHTCOSFIGUZQAQ-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209116 1315459236 /nfs/dbraw/zinc/45/92/36/1315459236.db2.gz JPWBEWBIDSWWFU-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209473 1315460253 /nfs/dbraw/zinc/46/02/53/1315460253.db2.gz QYQMCYOGXQDSSY-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC001221010636 1315470510 /nfs/dbraw/zinc/47/05/10/1315470510.db2.gz MSQHVBGIEKVKJI-RXVVDRJESA-N 2 0 341.499 2.712 20 30 EFEDRP C=CCC[C@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597198 1315473159 /nfs/dbraw/zinc/47/31/59/1315473159.db2.gz WDKKRBOUUPQCKV-ROUUACIJSA-N 2 0 348.487 2.662 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225843 1315483527 /nfs/dbraw/zinc/48/35/27/1315483527.db2.gz FZTGQAVVCHUHNJ-NRFANRHFSA-N 2 0 345.531 2.609 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226794 1315484791 /nfs/dbraw/zinc/48/47/91/1315484791.db2.gz ZRCYQXSANACRQU-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134703 1315519775 /nfs/dbraw/zinc/51/97/75/1315519775.db2.gz UNPKJGUQIBOGGU-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039136404 1315521828 /nfs/dbraw/zinc/52/18/28/1315521828.db2.gz JOUXJMZUDLUXAG-VQTJNVASSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136568 1315522839 /nfs/dbraw/zinc/52/28/39/1315522839.db2.gz AFCHPUMLLFFOLH-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136605 1315522897 /nfs/dbraw/zinc/52/28/97/1315522897.db2.gz BEBGUCYNQDGSLT-OALUTQOASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136564 1315522990 /nfs/dbraw/zinc/52/29/90/1315522990.db2.gz AFCHPUMLLFFOLH-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136606 1315523279 /nfs/dbraw/zinc/52/32/79/1315523279.db2.gz BEBGUCYNQDGSLT-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137406 1315523688 /nfs/dbraw/zinc/52/36/88/1315523688.db2.gz NVGFQTNODGBDAC-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140793 1315530136 /nfs/dbraw/zinc/53/01/36/1315530136.db2.gz JPUSSIUBIWGPST-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141010 1315531230 /nfs/dbraw/zinc/53/12/30/1315531230.db2.gz NAZAIVWWFGGHIH-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039143971 1315535753 /nfs/dbraw/zinc/53/57/53/1315535753.db2.gz DXPYVXLOSWXGOJ-KRWDZBQOSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560954 1315551613 /nfs/dbraw/zinc/55/16/13/1315551613.db2.gz QORHXLBQOOFLPE-NCXUSEDFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163586 1315562274 /nfs/dbraw/zinc/56/22/74/1315562274.db2.gz CWOFCVAGJFURRY-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221616598 1315564278 /nfs/dbraw/zinc/56/42/78/1315564278.db2.gz QUVRPQDUDWKRSO-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616923 1315564572 /nfs/dbraw/zinc/56/45/72/1315564572.db2.gz WIQDPXHDSCQFJR-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165299 1315565260 /nfs/dbraw/zinc/56/52/60/1315565260.db2.gz MDMXANJUPZDYQR-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC001039170229 1315574306 /nfs/dbraw/zinc/57/43/06/1315574306.db2.gz NJSLCRGGQKAWMN-CTNGQTDRSA-N 2 0 345.531 2.609 20 30 EFEDRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1C#N ZINC001278701208 1315576275 /nfs/dbraw/zinc/57/62/75/1315576275.db2.gz UQJOICKCXOSAIE-BGYRXZFFSA-N 2 0 349.482 2.934 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180348 1315587704 /nfs/dbraw/zinc/58/77/04/1315587704.db2.gz PJNBGQLSOPDVAX-MOPGFXCFSA-N 2 0 335.536 2.709 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182028 1315589769 /nfs/dbraw/zinc/58/97/69/1315589769.db2.gz HNYSMAXKNFUJAF-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204695 1315617343 /nfs/dbraw/zinc/61/73/43/1315617343.db2.gz AAJZIUOIENYCGV-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225742 1315646445 /nfs/dbraw/zinc/64/64/45/1315646445.db2.gz QVUIFXIQHRPQRI-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233890 1315657699 /nfs/dbraw/zinc/65/76/99/1315657699.db2.gz FUQNMWUTYAZKPN-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235516 1315659849 /nfs/dbraw/zinc/65/98/49/1315659849.db2.gz XZMHZBNXGWHYDQ-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243827 1315671968 /nfs/dbraw/zinc/67/19/68/1315671968.db2.gz WMCSSRCCGQXAKK-DLBZAZTESA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243714 1315672584 /nfs/dbraw/zinc/67/25/84/1315672584.db2.gz VWCPLCDERGOJOP-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250285 1315681331 /nfs/dbraw/zinc/68/13/31/1315681331.db2.gz NKEDYVPNRQGSIX-MJGOQNOKSA-N 2 0 344.503 2.632 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250288 1315681625 /nfs/dbraw/zinc/68/16/25/1315681625.db2.gz NKEDYVPNRQGSIX-PKOBYXMFSA-N 2 0 344.503 2.632 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251154 1315682234 /nfs/dbraw/zinc/68/22/34/1315682234.db2.gz SZHTZLAQTLQDNN-WMZOPIPTSA-N 2 0 330.476 2.540 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256919 1315687998 /nfs/dbraw/zinc/68/79/98/1315687998.db2.gz OSVNPVJZBQHRNL-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256924 1315688054 /nfs/dbraw/zinc/68/80/54/1315688054.db2.gz OSVNPVJZBQHRNL-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256923 1315688250 /nfs/dbraw/zinc/68/82/50/1315688250.db2.gz OSVNPVJZBQHRNL-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039284212 1315701474 /nfs/dbraw/zinc/70/14/74/1315701474.db2.gz IJLWZDSWKOZSIL-JLYLLQBASA-N 2 0 345.531 2.774 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039286266 1315702091 /nfs/dbraw/zinc/70/20/91/1315702091.db2.gz LMYJZGVRZBILBC-HRVKUGKESA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039287640 1315702771 /nfs/dbraw/zinc/70/27/71/1315702771.db2.gz MSWXKPGXBWPKFY-AYHJJNSGSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039288231 1315703076 /nfs/dbraw/zinc/70/30/76/1315703076.db2.gz WVVLIFAIOKALRT-NXEWRWPSSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039299223 1315707538 /nfs/dbraw/zinc/70/75/38/1315707538.db2.gz XHDLOZPRTMVNBB-MVCQKVDPSA-N 2 0 333.520 2.796 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254527984 1315719487 /nfs/dbraw/zinc/71/94/87/1315719487.db2.gz AGNFKZFZFGQGBO-QGZVFWFLSA-N 2 0 343.471 2.894 20 30 EFEDRP C[N@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254646887 1315734888 /nfs/dbraw/zinc/73/48/88/1315734888.db2.gz PSEDQFTUQBRKBD-CVEARBPZSA-N 2 0 338.496 2.505 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384726 1315754437 /nfs/dbraw/zinc/75/44/37/1315754437.db2.gz KWKVDTYURBAUJE-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039387170 1315755979 /nfs/dbraw/zinc/75/59/79/1315755979.db2.gz WDLLTQKSVBVJQK-QRVBRYPASA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039387171 1315756175 /nfs/dbraw/zinc/75/61/75/1315756175.db2.gz WDLLTQKSVBVJQK-QYZOEREBSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039386939 1315756422 /nfs/dbraw/zinc/75/64/22/1315756422.db2.gz LFYCHAJNEUQJFA-CEXWTWQISA-N 2 0 331.504 2.645 20 30 EFEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255110070 1315776966 /nfs/dbraw/zinc/77/69/66/1315776966.db2.gz YUKQGGYHWIRAJG-NRFANRHFSA-N 3 0 336.483 2.928 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039424060 1315782464 /nfs/dbraw/zinc/78/24/64/1315782464.db2.gz ZHDTWVOAKFYRPH-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458488 1315805937 /nfs/dbraw/zinc/80/59/37/1315805937.db2.gz YLOQLRKLFIRUAS-UXHICEINSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474720 1315817382 /nfs/dbraw/zinc/81/73/82/1315817382.db2.gz WTBSKECIUZBNET-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255678452 1315857142 /nfs/dbraw/zinc/85/71/42/1315857142.db2.gz GPTOQUIKQLTZEF-LMWLFIIJSA-N 2 0 334.504 2.828 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](C)CC[NH+](CC)CC)C2 ZINC001255944156 1315883083 /nfs/dbraw/zinc/88/30/83/1315883083.db2.gz SCHVMEATEDBAOI-SJLPKXTDSA-N 2 0 331.504 2.602 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](C)CC[NH+](CC)CC)C2 ZINC001255944157 1315883563 /nfs/dbraw/zinc/88/35/63/1315883563.db2.gz SCHVMEATEDBAOI-WMZOPIPTSA-N 2 0 331.504 2.602 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H](C)CC[NH+](CC)CC)CC2 ZINC001255955573 1315884688 /nfs/dbraw/zinc/88/46/88/1315884688.db2.gz BZUJSHNOVZNTLD-QGZVFWFLSA-N 2 0 337.508 2.827 20 30 EFEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H](NC(=O)C[NH+](C)C)CC3)C[C@H](C1)C2 ZINC001257890761 1316101292 /nfs/dbraw/zinc/10/12/92/1316101292.db2.gz ZOOHWUOEFYEVDH-MZEMSLAOSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202096 1316140185 /nfs/dbraw/zinc/14/01/85/1316140185.db2.gz PRIGENCCCRXKSO-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240853 1316160912 /nfs/dbraw/zinc/16/09/12/1316160912.db2.gz KACNOSAEDALYEE-FPOVZHCZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241692 1316161315 /nfs/dbraw/zinc/16/13/15/1316161315.db2.gz RCSXMMOHIMXJJY-TZIWHRDSSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241689 1316161483 /nfs/dbraw/zinc/16/14/83/1316161483.db2.gz RCSXMMOHIMXJJY-CTNGQTDRSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040244015 1316163374 /nfs/dbraw/zinc/16/33/74/1316163374.db2.gz FMLTWIIMBZHMHG-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258727805 1316173830 /nfs/dbraw/zinc/17/38/30/1316173830.db2.gz IUNCLXRNEXFMKF-RDGPPVDQSA-N 2 0 331.508 2.806 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258727984 1316173863 /nfs/dbraw/zinc/17/38/63/1316173863.db2.gz KFNYOVXOKFVAKC-VAMGGRTRSA-N 2 0 335.536 2.602 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264576 1316174145 /nfs/dbraw/zinc/17/41/45/1316174145.db2.gz PQUGKGTVNPTCEV-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275251 1316178892 /nfs/dbraw/zinc/17/88/92/1316178892.db2.gz JUZCXHJIMAMWOW-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276608 1316179735 /nfs/dbraw/zinc/17/97/35/1316179735.db2.gz NXENVYXGZASKRP-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040433180 1316263671 /nfs/dbraw/zinc/26/36/71/1316263671.db2.gz UHQZPBRIZHTYIW-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464489 1316280697 /nfs/dbraw/zinc/28/06/97/1316280697.db2.gz NFVRFYAYAFZVKT-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726597 1316360637 /nfs/dbraw/zinc/36/06/37/1316360637.db2.gz LUQMNEHGLGUAGQ-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733199 1316362868 /nfs/dbraw/zinc/36/28/68/1316362868.db2.gz QEJREQZTTUPOHC-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746079 1316365743 /nfs/dbraw/zinc/36/57/43/1316365743.db2.gz VNSVYTPFGSUEKM-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757017 1316368386 /nfs/dbraw/zinc/36/83/86/1316368386.db2.gz LPGSNOCPKXWZGW-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001040761438 1316369496 /nfs/dbraw/zinc/36/94/96/1316369496.db2.gz XSUABSWDZWSZSL-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882171 1316396403 /nfs/dbraw/zinc/39/64/03/1316396403.db2.gz ACSPWTZEVTULEW-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883262 1316397211 /nfs/dbraw/zinc/39/72/11/1316397211.db2.gz MCNUCSMQPLZSEP-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883263 1316397483 /nfs/dbraw/zinc/39/74/83/1316397483.db2.gz MCNUCSMQPLZSEP-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883265 1316397598 /nfs/dbraw/zinc/39/75/98/1316397598.db2.gz MCNUCSMQPLZSEP-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040902248 1316401743 /nfs/dbraw/zinc/40/17/43/1316401743.db2.gz SXTCGOGYXKXPTI-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cnc3C)C2)CC1 ZINC001040926556 1316405679 /nfs/dbraw/zinc/40/56/79/1316405679.db2.gz LGUYPQWPGGHDDQ-UHFFFAOYSA-N 2 0 330.476 2.541 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947683 1316409447 /nfs/dbraw/zinc/40/94/47/1316409447.db2.gz AOVLABHBJGQKBD-HDICACEKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953581 1316410180 /nfs/dbraw/zinc/41/01/80/1316410180.db2.gz PQXLBHFCHIRGSF-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886266 1316419850 /nfs/dbraw/zinc/41/98/50/1316419850.db2.gz MNZSYARWVCVMEY-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358457 1316527379 /nfs/dbraw/zinc/52/73/79/1316527379.db2.gz OKILEMNAPUHEPV-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358458 1316527393 /nfs/dbraw/zinc/52/73/93/1316527393.db2.gz OKILEMNAPUHEPV-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041444627 1316553534 /nfs/dbraw/zinc/55/35/34/1316553534.db2.gz CTTCVCGPKQUHQM-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587832 1316609744 /nfs/dbraw/zinc/60/97/44/1316609744.db2.gz SOAWDIKJFXRUPJ-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587811 1316609860 /nfs/dbraw/zinc/60/98/60/1316609860.db2.gz SIOIVEJVJNHVDX-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591186 1316611696 /nfs/dbraw/zinc/61/16/96/1316611696.db2.gz XSFNKJSSFPRDHX-FPOVZHCZSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723421 1316665791 /nfs/dbraw/zinc/66/57/91/1316665791.db2.gz HYSSHXNWEMORQN-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725486 1316668027 /nfs/dbraw/zinc/66/80/27/1316668027.db2.gz NKOGZHRWDWFGHJ-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769677 1316688833 /nfs/dbraw/zinc/68/88/33/1316688833.db2.gz SPPIIGWZUXIRTG-FQEVSTJZSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782236 1316696779 /nfs/dbraw/zinc/69/67/79/1316696779.db2.gz TWJWABNYUBZNSF-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851600 1316737191 /nfs/dbraw/zinc/73/71/91/1316737191.db2.gz JSFNLCGLNITZRO-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121258 1316893005 /nfs/dbraw/zinc/89/30/05/1316893005.db2.gz GAEPSTKJTJTUAN-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042122641 1316894873 /nfs/dbraw/zinc/89/48/73/1316894873.db2.gz ACPWCVRWUNDVJU-SJLPKXTDSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133168 1316900594 /nfs/dbraw/zinc/90/05/94/1316900594.db2.gz IPIYJMCIBOQMPU-LPHOPBHVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001042162164 1316921940 /nfs/dbraw/zinc/92/19/40/1316921940.db2.gz GRPLJAXHENWDBY-UYAOXDASSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270565 1317069519 /nfs/dbraw/zinc/06/95/19/1317069519.db2.gz PZJRTFJRERBFJR-QUCCMNQESA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042372932 1317230477 /nfs/dbraw/zinc/23/04/77/1317230477.db2.gz BJASZWCPFRXSQR-WMZOPIPTSA-N 2 0 345.487 2.844 20 30 EFEDRP C#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001279302051 1317230783 /nfs/dbraw/zinc/23/07/83/1317230783.db2.gz UJBJOYQVJPHUMV-SZPZYZBQSA-N 2 0 348.494 2.708 20 30 EFEDRP Cc1cncc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)c1 ZINC001279570902 1317304933 /nfs/dbraw/zinc/30/49/33/1317304933.db2.gz CIFZGCHTGXLTHP-UHFFFAOYSA-N 2 0 349.482 2.698 20 30 EFEDRP CC(C)[NH+](CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC001326156917 1329735224 /nfs/dbraw/zinc/73/52/24/1329735224.db2.gz TXFPHEWHIIEENZ-UHFFFAOYSA-N 2 0 330.476 2.985 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001341585772 1332269541 /nfs/dbraw/zinc/26/95/41/1332269541.db2.gz RPUOOWWGJDBICO-INIZCTEOSA-N 2 0 330.476 2.815 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001343560729 1332357835 /nfs/dbraw/zinc/35/78/35/1332357835.db2.gz OWNOTBZQKXKUMJ-HKUYNNGSSA-N 2 0 329.488 2.793 20 30 EFEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756702 1333446477 /nfs/dbraw/zinc/44/64/77/1333446477.db2.gz IMTRLGPFNLGQOI-LJQANCHMSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480304865 1333596869 /nfs/dbraw/zinc/59/68/69/1333596869.db2.gz NCJOBLXPIAPSIH-KRWDZBQOSA-N 2 0 349.906 2.943 20 30 EFEDRP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606723 1334191626 /nfs/dbraw/zinc/19/16/26/1334191626.db2.gz VUWACGRBNDAFPS-LJQANCHMSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606939 1334192085 /nfs/dbraw/zinc/19/20/85/1334192085.db2.gz ZHAODJGJWHEOOG-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200841418 1334651312 /nfs/dbraw/zinc/65/13/12/1334651312.db2.gz SJEHOKVKOSPNMM-SFHVURJKSA-N 2 0 341.515 2.993 20 30 EFEDRP C[NH+]=C(NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)NC1CC1 ZINC000849026808 1335046021 /nfs/dbraw/zinc/04/60/21/1335046021.db2.gz VYFBKJXPUUVYDE-IYBDPMFKSA-N 2 0 328.504 2.992 20 30 EFEDRP C[NH+]1CCC(CC[NH+]=C(NC[C@H]2CCCCO2)NC(C)(C)C)CC1 ZINC001356509272 1335046127 /nfs/dbraw/zinc/04/61/27/1335046127.db2.gz NZYXAIJSMDMXJO-QGZVFWFLSA-N 2 0 338.540 2.621 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849050394 1335057546 /nfs/dbraw/zinc/05/75/46/1335057546.db2.gz PUFUGVAGBIBYOQ-SFHVURJKSA-N 2 0 340.471 2.857 20 30 EFEDRP CCCC[NH+]=C(NCCNc1cc[nH+]cc1)NCc1ccc(C)cc1 ZINC000849064637 1335065722 /nfs/dbraw/zinc/06/57/22/1335065722.db2.gz UIMCKRIGPUGZQX-UHFFFAOYSA-N 2 0 339.487 2.759 20 30 EFEDRP [NH2+]=C(NCC#Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849099655 1335552023 /nfs/dbraw/zinc/55/20/23/1335552023.db2.gz BBBZZPDYXOVUTL-UHFFFAOYSA-N 2 0 346.478 2.817 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366421042 1337571769 /nfs/dbraw/zinc/57/17/69/1337571769.db2.gz BYPWLKKNXWALGV-HOTGVXAUSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001367663253 1338912555 /nfs/dbraw/zinc/91/25/55/1338912555.db2.gz RZHIFKHQFRNMDO-RHSMWYFYSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001368774358 1339699350 /nfs/dbraw/zinc/69/93/50/1339699350.db2.gz NOJSBHOACNWWSF-KRWDZBQOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001374571760 1342083921 /nfs/dbraw/zinc/08/39/21/1342083921.db2.gz RTJXMEXBVDBVRW-QZTJIDSGSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001376968049 1343996320 /nfs/dbraw/zinc/99/63/20/1343996320.db2.gz RQKYWNZJLVULQX-INIZCTEOSA-N 2 0 335.879 2.552 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001378822304 1345340609 /nfs/dbraw/zinc/34/06/09/1345340609.db2.gz AKNKEHWHYRZMAJ-HNNXBMFYSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001378918386 1345422246 /nfs/dbraw/zinc/42/22/46/1345422246.db2.gz IXNGUGJDYCBPFL-INIZCTEOSA-N 2 0 329.916 2.640 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379167894 1345638047 /nfs/dbraw/zinc/63/80/47/1345638047.db2.gz KFPWMFQOEVYMAW-LSDHHAIUSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001380672850 1347804287 /nfs/dbraw/zinc/80/42/87/1347804287.db2.gz FCWJBKUCPQUTFQ-YJBOKZPZSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001381989995 1348645973 /nfs/dbraw/zinc/64/59/73/1348645973.db2.gz UNIUAXNJBUNVLX-UHFFFAOYSA-N 2 0 341.927 2.928 20 30 EFEDRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382537390 1349004162 /nfs/dbraw/zinc/00/41/62/1349004162.db2.gz UFZQICYEFQZRHF-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001389752317 1353600263 /nfs/dbraw/zinc/60/02/63/1353600263.db2.gz BRGXRMYMLSPGOY-MRXNPFEDSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391303776 1355045464 /nfs/dbraw/zinc/04/54/64/1355045464.db2.gz BSHYFRJYMRIOIA-HNNXBMFYSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391361337 1355126226 /nfs/dbraw/zinc/12/62/26/1355126226.db2.gz XWXDMSQHVGMRSE-HNNXBMFYSA-N 2 0 346.862 2.789 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001392182375 1355835320 /nfs/dbraw/zinc/83/53/20/1355835320.db2.gz AYERYHCRTIQLLS-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001392186054 1355840564 /nfs/dbraw/zinc/84/05/64/1355840564.db2.gz PDPLMZBYGCKPMO-JKSUJKDBSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001392343911 1356009855 /nfs/dbraw/zinc/00/98/55/1356009855.db2.gz BZYUDMHJUUPZJG-SJORKVTESA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001402003847 1363322675 /nfs/dbraw/zinc/32/26/75/1363322675.db2.gz KPTHBGGKJVQADE-UHFFFAOYSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001393155773 1356660572 /nfs/dbraw/zinc/66/05/72/1356660572.db2.gz FFSKSAGNSGCLPP-KRWDZBQOSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001393402934 1356822316 /nfs/dbraw/zinc/82/23/16/1356822316.db2.gz QYERVRKLQZRQCX-BZUAXINKSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001394430576 1357809596 /nfs/dbraw/zinc/80/95/96/1357809596.db2.gz TVPYFJLLDKFGGP-INIZCTEOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060706 1387391185 /nfs/dbraw/zinc/39/11/85/1387391185.db2.gz SOMDBXJINRVAGX-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001397142683 1359702784 /nfs/dbraw/zinc/70/27/84/1359702784.db2.gz YHBWWVAUFJLKRX-ULQDDVLXSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192882 1360368662 /nfs/dbraw/zinc/36/86/62/1360368662.db2.gz ARMHGGTUDRHGRY-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398311201 1360456205 /nfs/dbraw/zinc/45/62/05/1360456205.db2.gz BVHMFHTZZFJBFO-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001398742839 1360757091 /nfs/dbraw/zinc/75/70/91/1360757091.db2.gz XPWKITCSLNINCE-QGZVFWFLSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001401303350 1362648668 /nfs/dbraw/zinc/64/86/68/1362648668.db2.gz BTGPMCXRLJQVIU-HNNXBMFYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001402446697 1363699023 /nfs/dbraw/zinc/69/90/23/1363699023.db2.gz ZJTIJFCPTQNHAV-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001402496070 1363738971 /nfs/dbraw/zinc/73/89/71/1363738971.db2.gz OSQHYBOAXIMOLL-BPLDGKMQSA-N 2 0 338.883 2.605 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001402615549 1363838551 /nfs/dbraw/zinc/83/85/51/1363838551.db2.gz PKMCNTALTKEDRT-KRWDZBQOSA-N 2 0 341.927 2.976 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771026 1364019048 /nfs/dbraw/zinc/01/90/48/1364019048.db2.gz CTPNUOZDVSKTFI-WBVHZDCISA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402809777 1364056871 /nfs/dbraw/zinc/05/68/71/1364056871.db2.gz CRLQVKYEVYKKKK-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001404512797 1365614925 /nfs/dbraw/zinc/61/49/25/1365614925.db2.gz SUCCBOCGCXPVTK-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1CC ZINC001406809136 1368083146 /nfs/dbraw/zinc/08/31/46/1368083146.db2.gz OAQNDEKGNHPWDV-JKSUJKDBSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001406998094 1368299695 /nfs/dbraw/zinc/29/96/95/1368299695.db2.gz BGQRSXNLOFBILA-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001407023145 1368338924 /nfs/dbraw/zinc/33/89/24/1368338924.db2.gz QVICFQIFVJBPJO-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174352 1368541377 /nfs/dbraw/zinc/54/13/77/1368541377.db2.gz QWPAHXHMWJNMDN-HZPDHXFCSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001407808227 1369259305 /nfs/dbraw/zinc/25/93/05/1369259305.db2.gz YXWYNRXRKJOCOK-UHFFFAOYSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001418746797 1374451401 /nfs/dbraw/zinc/45/14/01/1374451401.db2.gz OPYIFAIHOZXXBA-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001420945390 1377921592 /nfs/dbraw/zinc/92/15/92/1377921592.db2.gz NMFQCNLIVUDUNV-OAHLLOKOSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001421118867 1378150374 /nfs/dbraw/zinc/15/03/74/1378150374.db2.gz SHFQEMLWURDHJM-KRWDZBQOSA-N 2 0 349.906 2.737 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001421283395 1378423873 /nfs/dbraw/zinc/42/38/73/1378423873.db2.gz OUIQGMAJHCGIRE-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001421550217 1378795394 /nfs/dbraw/zinc/79/53/94/1378795394.db2.gz OITUJBKPTDALIP-DJIMGWMZSA-N 2 0 341.927 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001421580118 1378841993 /nfs/dbraw/zinc/84/19/93/1378841993.db2.gz RTFJMENJEUXMPH-WMLDXEAASA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001421624162 1378901174 /nfs/dbraw/zinc/90/11/74/1378901174.db2.gz FVPLNNSVUJSXHF-UHFFFAOYSA-N 2 0 339.911 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001438446702 1388608609 /nfs/dbraw/zinc/60/86/09/1388608609.db2.gz SQGSGGWLGNPKSU-UHFFFAOYSA-N 2 0 349.906 2.877 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001422031121 1379515807 /nfs/dbraw/zinc/51/58/07/1379515807.db2.gz PEHVBDXJOLATMP-WBVHZDCISA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001423465577 1381965071 /nfs/dbraw/zinc/96/50/71/1381965071.db2.gz UROYGTBYNLUFLM-AWEZNQCLSA-N 2 0 332.835 2.589 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001438747223 1388783177 /nfs/dbraw/zinc/78/31/77/1388783177.db2.gz MUTZHJRCDWVRDL-INIZCTEOSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001438761675 1388792569 /nfs/dbraw/zinc/79/25/69/1388792569.db2.gz DZQICZSZVQPKNB-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001438833085 1388849145 /nfs/dbraw/zinc/84/91/45/1388849145.db2.gz GXKVOWBOBLRAMB-QGZVFWFLSA-N 2 0 341.927 2.591 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001440313057 1389524596 /nfs/dbraw/zinc/52/45/96/1389524596.db2.gz NCOVXHZABYTUGA-JQHSSLGASA-N 2 0 349.906 2.916 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001440313054 1389524844 /nfs/dbraw/zinc/52/48/44/1389524844.db2.gz NCOVXHZABYTUGA-BPQIPLTHSA-N 2 0 349.906 2.916 20 30 EFEDRP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001440703002 1389826816 /nfs/dbraw/zinc/82/68/16/1389826816.db2.gz RSVRNTKLIHUPNK-MRXNPFEDSA-N 2 0 329.916 2.640 20 30 EFEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001494214095 1399218237 /nfs/dbraw/zinc/21/82/37/1399218237.db2.gz FQXMOARXHURSAD-UHFFFAOYSA-N 2 0 341.927 2.785 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494754774 1399456668 /nfs/dbraw/zinc/45/66/68/1399456668.db2.gz UCYGBEKHVWOLOB-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001495470154 1400007930 /nfs/dbraw/zinc/00/79/30/1400007930.db2.gz LLODVEHGPOHQMP-SHTZXODSSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001501092422 1403437358 /nfs/dbraw/zinc/43/73/58/1403437358.db2.gz UAMRZGFYZDBSPZ-WMZOPIPTSA-N 2 0 349.906 2.698 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC=C(C)C)CC1 ZINC000969155632 712942143 /nfs/dbraw/zinc/94/21/43/712942143.db2.gz CKEPNJJNVLFTTF-HXUWFJFHSA-N 2 0 345.531 2.659 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969783396 713261202 /nfs/dbraw/zinc/26/12/02/713261202.db2.gz SKMSJRSGRYMRRR-CQSZACIVSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128329 713462878 /nfs/dbraw/zinc/46/28/78/713462878.db2.gz WKYXVBXYJFAGJC-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138244 713478480 /nfs/dbraw/zinc/47/84/80/713478480.db2.gz VBJKEXPGOHMMGN-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723520 717923817 /nfs/dbraw/zinc/92/38/17/717923817.db2.gz WGQZWVGEHGQBJD-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970593211 713834327 /nfs/dbraw/zinc/83/43/27/713834327.db2.gz HQFUFLZEGRTVFP-MRXNPFEDSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604041 714164498 /nfs/dbraw/zinc/16/44/98/714164498.db2.gz AFJSPBKQYANXCF-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604040 714164593 /nfs/dbraw/zinc/16/45/93/714164593.db2.gz AFJSPBKQYANXCF-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)CN1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607871 714169590 /nfs/dbraw/zinc/16/95/90/714169590.db2.gz YBVAEOSTYBCPSI-RDJZCZTQSA-N 2 0 339.911 2.536 20 30 EFEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970953590 714177696 /nfs/dbraw/zinc/17/76/96/714177696.db2.gz HCZIFGAWIJDJHG-OAHLLOKOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634579 714212123 /nfs/dbraw/zinc/21/21/23/714212123.db2.gz CJZNTTXHSJIASA-QFBILLFUSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671918 714275508 /nfs/dbraw/zinc/27/55/08/714275508.db2.gz XHFJZHZQESQBAS-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700439 714333271 /nfs/dbraw/zinc/33/32/71/714333271.db2.gz PVIQCSWXGHIBSG-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701463 714335659 /nfs/dbraw/zinc/33/56/59/714335659.db2.gz ZBKXAQVZFJUZJK-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701465 714335759 /nfs/dbraw/zinc/33/57/59/714335759.db2.gz ZBKXAQVZFJUZJK-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739998 714403765 /nfs/dbraw/zinc/40/37/65/714403765.db2.gz PXULICSVHINRQP-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC000980251103 717980254 /nfs/dbraw/zinc/98/02/54/717980254.db2.gz FULBZSSOCAXMCA-YTQUADARSA-N 2 0 341.499 2.765 20 30 EFEDRP CC#CCN1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945263 715366240 /nfs/dbraw/zinc/36/62/40/715366240.db2.gz KAIQEADTSHHKBZ-OALUTQOASA-N 2 0 345.531 2.633 20 30 EFEDRP CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945266 715366567 /nfs/dbraw/zinc/36/65/67/715366567.db2.gz KAIQEADTSHHKBZ-RBUKOAKNSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000985458607 724409880 /nfs/dbraw/zinc/40/98/80/724409880.db2.gz FAPKORPIGQHPEF-MRXNPFEDSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000985456910 724405054 /nfs/dbraw/zinc/40/50/54/724405054.db2.gz KFFFSAXBSNYYFY-UHFFFAOYSA-N 2 0 335.517 2.922 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473594 715942155 /nfs/dbraw/zinc/94/21/55/715942155.db2.gz OUSSVQLQQAQZNX-SJORKVTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481089 715980517 /nfs/dbraw/zinc/98/05/17/715980517.db2.gz OZUKSFIMYYJNAJ-HNNXBMFYSA-N 2 0 332.835 2.623 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957053 716014516 /nfs/dbraw/zinc/01/45/16/716014516.db2.gz IHGDCNDAWVIXDJ-XHSDSOJGSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485983 716029028 /nfs/dbraw/zinc/02/90/28/716029028.db2.gz PLJBOQNYIHOMBE-HOTGVXAUSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507505 716097668 /nfs/dbraw/zinc/09/76/68/716097668.db2.gz OXDNGOGZLUMFTR-GOSISDBHSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977333284 716109544 /nfs/dbraw/zinc/10/95/44/716109544.db2.gz JRKDMKWSCFYPJL-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001023128505 716164915 /nfs/dbraw/zinc/16/49/15/716164915.db2.gz HTDSXGBITYZPGR-BGYRXZFFSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023152956 716175053 /nfs/dbraw/zinc/17/50/53/716175053.db2.gz DDKKJTMZMRULCN-OKILXGFUSA-N 2 0 339.867 2.724 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369899 716389146 /nfs/dbraw/zinc/38/91/46/716389146.db2.gz ICTJOIXYDNZUIE-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396247 716418941 /nfs/dbraw/zinc/41/89/41/716418941.db2.gz QOWKQDOLIIKRKL-OAHLLOKOSA-N 2 0 335.517 2.828 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396246 716418998 /nfs/dbraw/zinc/41/89/98/716418998.db2.gz QOWKQDOLIIKRKL-HNNXBMFYSA-N 2 0 335.517 2.828 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409978 716430220 /nfs/dbraw/zinc/43/02/20/716430220.db2.gz KHKRIQYFQCIYSE-RBUKOAKNSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414105 716439205 /nfs/dbraw/zinc/43/92/05/716439205.db2.gz MTZLCFIBZPPZJW-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978803236 716455872 /nfs/dbraw/zinc/45/58/72/716455872.db2.gz YBPBHXHQWLHREQ-AKHDSKFASA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455688 716494197 /nfs/dbraw/zinc/49/41/97/716494197.db2.gz OYWPYBKYVOXAOP-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694496 716549284 /nfs/dbraw/zinc/54/92/84/716549284.db2.gz AHSNATFUJLIUMC-SJORKVTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694574 716549676 /nfs/dbraw/zinc/54/96/76/716549676.db2.gz CUQTWIJYVLWIDT-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027574344 716694256 /nfs/dbraw/zinc/69/42/56/716694256.db2.gz PURSEANHGIQAMX-FQEVSTJZSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678181 716805686 /nfs/dbraw/zinc/80/56/86/716805686.db2.gz QSAZGAHKOVIJCU-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001023681136 716808684 /nfs/dbraw/zinc/80/86/84/716808684.db2.gz HDBLZXDUFZNKTF-KRWDZBQOSA-N 2 0 338.455 2.890 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149270 716853733 /nfs/dbraw/zinc/85/37/33/716853733.db2.gz VYVBAPMASQFIFR-FRYIKTPZSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601705 716916481 /nfs/dbraw/zinc/91/64/81/716916481.db2.gz GVBPUNJZOMIJMZ-SJORKVTESA-N 2 0 341.927 2.925 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980089195 717732544 /nfs/dbraw/zinc/73/25/44/717732544.db2.gz XJHSCEVMTZOXHS-FHWLQOOXSA-N 2 0 345.531 2.798 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441018 717739994 /nfs/dbraw/zinc/73/99/94/717739994.db2.gz XDHNFDGQIJFWEU-AZUAARDMSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441019 717740229 /nfs/dbraw/zinc/74/02/29/717740229.db2.gz XDHNFDGQIJFWEU-ICSRJNTNSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024486831 717810509 /nfs/dbraw/zinc/81/05/09/717810509.db2.gz JHANQFMBZXMEJF-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980181197 717848466 /nfs/dbraw/zinc/84/84/66/717848466.db2.gz XLULYOYIJDHXSN-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980181213 717848546 /nfs/dbraw/zinc/84/85/46/717848546.db2.gz XLULYOYIJDHXSN-OTWHNJEPSA-N 2 0 333.520 2.511 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000304751295 724473601 /nfs/dbraw/zinc/47/36/01/724473601.db2.gz JEDOWQRKVDDWET-UHFFFAOYSA-N 2 0 326.554 2.689 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181549 717849519 /nfs/dbraw/zinc/84/95/19/717849519.db2.gz DUAKXPLZNPDPIE-UFYCRDLUSA-N 2 0 341.499 2.765 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187668 717875910 /nfs/dbraw/zinc/87/59/10/717875910.db2.gz KGLODSWRJHNNMH-OTWHNJEPSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187565 717876159 /nfs/dbraw/zinc/87/61/59/717876159.db2.gz OZFQYDILOMGCOQ-FHWLQOOXSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024647974 718056228 /nfs/dbraw/zinc/05/62/28/718056228.db2.gz CHPAPIHBPVOCRA-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024645435 718057436 /nfs/dbraw/zinc/05/74/36/718057436.db2.gz ADLMOQVBPYZYCT-HZPDHXFCSA-N 2 0 330.476 2.767 20 30 EFEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751847 718134632 /nfs/dbraw/zinc/13/46/32/718134632.db2.gz LLWLARNTRASQPT-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168920 718163235 /nfs/dbraw/zinc/16/32/35/718163235.db2.gz LJUASHXEANOJEE-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811805 718175369 /nfs/dbraw/zinc/17/53/69/718175369.db2.gz ZSGKJEWQAZAZBR-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240354 718460092 /nfs/dbraw/zinc/46/00/92/718460092.db2.gz NPZRXTNMXRAGBX-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251860 718472743 /nfs/dbraw/zinc/47/27/43/718472743.db2.gz LKMWYBAXBQQECC-RBUKOAKNSA-N 2 0 338.455 2.979 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267296 718487521 /nfs/dbraw/zinc/48/75/21/718487521.db2.gz OBMNWTHOQGXQIC-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199515 718493811 /nfs/dbraw/zinc/49/38/11/718493811.db2.gz QPGTVNHPZBNMCE-GJZGRUSLSA-N 2 0 332.835 2.717 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049409 718508273 /nfs/dbraw/zinc/50/82/73/718508273.db2.gz RWMUHRADDXAPMW-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275235 718513424 /nfs/dbraw/zinc/51/34/24/718513424.db2.gz VAQMERSIKLTECL-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275650 718514381 /nfs/dbraw/zinc/51/43/81/718514381.db2.gz YADJFZQNXYSPIP-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275648 718514435 /nfs/dbraw/zinc/51/44/35/718514435.db2.gz YADJFZQNXYSPIP-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279943 718518182 /nfs/dbraw/zinc/51/81/82/718518182.db2.gz JHCCDPPCLLZMLO-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281450 718520043 /nfs/dbraw/zinc/52/00/43/718520043.db2.gz VGYGAXTZYOAKHM-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287646 718524037 /nfs/dbraw/zinc/52/40/37/718524037.db2.gz FNVAWIIYBOPJIT-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288917 718526464 /nfs/dbraw/zinc/52/64/64/718526464.db2.gz MQGPCKMQWUQHMN-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289760 718530014 /nfs/dbraw/zinc/53/00/14/718530014.db2.gz SBUDQHXDJVBNFX-MOPGFXCFSA-N 2 0 344.503 2.774 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294255 718536506 /nfs/dbraw/zinc/53/65/06/718536506.db2.gz YGXKPCCUTDIJSP-QZTJIDSGSA-N 2 0 330.476 2.682 20 30 EFEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238257 718543081 /nfs/dbraw/zinc/54/30/81/718543081.db2.gz HFKQOCRVNJIADR-ROUUACIJSA-N 2 0 329.488 2.607 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300766 718546858 /nfs/dbraw/zinc/54/68/58/718546858.db2.gz FCYPRTKDOKOZGN-RBUKOAKNSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001029917002 724522336 /nfs/dbraw/zinc/52/23/36/724522336.db2.gz GADMUDQCGVROON-VQTJNVASSA-N 2 0 341.499 2.760 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981447241 718727008 /nfs/dbraw/zinc/72/70/08/718727008.db2.gz JERUDTMTPYERLU-RTBURBONSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094447 718727510 /nfs/dbraw/zinc/72/75/10/718727510.db2.gz ZVAUIKTUTBUMSA-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981539810 718798641 /nfs/dbraw/zinc/79/86/41/718798641.db2.gz YLISTUYDASZDJN-ROUUACIJSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981539809 718798668 /nfs/dbraw/zinc/79/86/68/718798668.db2.gz YLISTUYDASZDJN-QZTJIDSGSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454293 718897769 /nfs/dbraw/zinc/89/77/69/718897769.db2.gz WZNNVPQUGOHUQP-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473209 718959474 /nfs/dbraw/zinc/95/94/74/718959474.db2.gz ARSGFRYAPXEJCZ-RDJZCZTQSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981764953 719012127 /nfs/dbraw/zinc/01/21/27/719012127.db2.gz LGNZQHZHVGQUBA-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029921201 724554172 /nfs/dbraw/zinc/55/41/72/724554172.db2.gz SIEALBJNMRUTBD-UXHICEINSA-N 2 0 341.499 2.617 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3CC)C2)C1 ZINC000981781187 719038888 /nfs/dbraw/zinc/03/88/88/719038888.db2.gz WOPNCQGHPIFESS-QGZVFWFLSA-N 2 0 344.503 2.897 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813563 719061792 /nfs/dbraw/zinc/06/17/92/719061792.db2.gz MMLYBVNGMPIGQN-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813958 719062880 /nfs/dbraw/zinc/06/28/80/719062880.db2.gz SGVQMADNTXSSSL-GOSISDBHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981810675 719070970 /nfs/dbraw/zinc/07/09/70/719070970.db2.gz XDTWRZRLIVMHOD-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)CN1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981823028 719083285 /nfs/dbraw/zinc/08/32/85/719083285.db2.gz XGMBXIYIJBYPPG-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557355 719123902 /nfs/dbraw/zinc/12/39/02/719123902.db2.gz GUCYBZOZDFNFNC-XLIONFOSSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560043 719131111 /nfs/dbraw/zinc/13/11/11/719131111.db2.gz ZKBSQEKQVJLNBQ-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000981861361 719139787 /nfs/dbraw/zinc/13/97/87/719139787.db2.gz NMIFWONNBCVHFC-UHFFFAOYSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981864712 719142750 /nfs/dbraw/zinc/14/27/50/719142750.db2.gz HDSPKMFFEBOSCN-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981865181 719143488 /nfs/dbraw/zinc/14/34/88/719143488.db2.gz NRYOWYIWSWAHER-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627682 719248573 /nfs/dbraw/zinc/24/85/73/719248573.db2.gz AWVSEDNQSOKNPZ-QUCCMNQESA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629319 719253511 /nfs/dbraw/zinc/25/35/11/719253511.db2.gz FSOYLICFVARAQH-ZWKOTPCHSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052544 719507174 /nfs/dbraw/zinc/50/71/74/719507174.db2.gz OYODVOZJFBJZNB-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062675 719516805 /nfs/dbraw/zinc/51/68/05/719516805.db2.gz BIFLOLUXVCPJHZ-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062644 719517047 /nfs/dbraw/zinc/51/70/47/719517047.db2.gz APEHLYYSBUZCSE-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062672 719517079 /nfs/dbraw/zinc/51/70/79/719517079.db2.gz BIFLOLUXVCPJHZ-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110458 719568536 /nfs/dbraw/zinc/56/85/36/719568536.db2.gz QFWSMKPXBRNKNA-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116801 719574314 /nfs/dbraw/zinc/57/43/14/719574314.db2.gz SUZNPKVPPJZIKG-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116796 719574445 /nfs/dbraw/zinc/57/44/45/719574445.db2.gz SUZNPKVPPJZIKG-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162323 719607012 /nfs/dbraw/zinc/60/70/12/719607012.db2.gz OHHRNGUIKHOJLQ-HDICACEKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163574 719608450 /nfs/dbraw/zinc/60/84/50/719608450.db2.gz HQTPWHWMJNSBFK-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275433 719772972 /nfs/dbraw/zinc/77/29/72/719772972.db2.gz GRHLUBIKXPBNLA-RLLQIKCJSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279610 719787917 /nfs/dbraw/zinc/78/79/17/719787917.db2.gz AYUNSYHUEVTZAW-UKAVVXHISA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295740 719836200 /nfs/dbraw/zinc/83/62/00/719836200.db2.gz CDDNTFJIASRDMA-NRSPTQNISA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295750 719837514 /nfs/dbraw/zinc/83/75/14/719837514.db2.gz CLCHEYQRPJFGGD-YSIASYRMSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295749 719837640 /nfs/dbraw/zinc/83/76/40/719837640.db2.gz CLCHEYQRPJFGGD-RLLQIKCJSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982307872 719881232 /nfs/dbraw/zinc/88/12/32/719881232.db2.gz DMRRHTXUMHQGOQ-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]12 ZINC001026298105 720175347 /nfs/dbraw/zinc/17/53/47/720175347.db2.gz KFZJXHUMTKVNIU-ATZDWAIDSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001026298108 720175357 /nfs/dbraw/zinc/17/53/57/720175357.db2.gz KFZJXHUMTKVNIU-ZYSHUDEJSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]12 ZINC001026303981 720189964 /nfs/dbraw/zinc/18/99/64/720189964.db2.gz IJBJOZYTISIPSY-HYVNUMGLSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001026313143 720213076 /nfs/dbraw/zinc/21/30/76/720213076.db2.gz HPVAAOIEHYOTIY-IAOVAPTHSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332883 720372565 /nfs/dbraw/zinc/37/25/65/720372565.db2.gz FSMICQNFEDUJGQ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343798 720398336 /nfs/dbraw/zinc/39/83/36/720398336.db2.gz RUGKKQSXVLSYQO-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001026378450 720434787 /nfs/dbraw/zinc/43/47/87/720434787.db2.gz XMUXRBCTGGUVHH-SLFFLAALSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001026391008 720468556 /nfs/dbraw/zinc/46/85/56/720468556.db2.gz AJYHEEBOTQXGOO-GBESFXJTSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001026503325 720678785 /nfs/dbraw/zinc/67/87/85/720678785.db2.gz SFRLHNKXSKOOHD-UYSNPLJNSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001026514020 720695890 /nfs/dbraw/zinc/69/58/90/720695890.db2.gz OMLOCDMMIVMZMP-UHFFFAOYSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001026534203 720720379 /nfs/dbraw/zinc/72/03/79/720720379.db2.gz XELJZFDKMIJSHP-JCYILVPMSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001026550335 720737840 /nfs/dbraw/zinc/73/78/40/720737840.db2.gz HLGBSFPYYSZQML-UHFFFAOYSA-N 2 0 339.867 2.724 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000894146367 720916229 /nfs/dbraw/zinc/91/62/29/720916229.db2.gz VKCPCYZJTXLEAP-IBGZPJMESA-N 2 0 346.906 2.864 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982598774 720932284 /nfs/dbraw/zinc/93/22/84/720932284.db2.gz KWKTYQKUSDMHPZ-YTQUADARSA-N 2 0 330.476 2.581 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616507 720950538 /nfs/dbraw/zinc/95/05/38/720950538.db2.gz DFMADDGKCYNWMJ-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641515 721033889 /nfs/dbraw/zinc/03/38/89/721033889.db2.gz NVJAFEWPBJCKKZ-JYAXBFRTSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641514 721034089 /nfs/dbraw/zinc/03/40/89/721034089.db2.gz NVJAFEWPBJCKKZ-IZZBFERCSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831474 721303701 /nfs/dbraw/zinc/30/37/01/721303701.db2.gz LXXYLMGXCTYSLC-BGYRXZFFSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974748802 721385244 /nfs/dbraw/zinc/38/52/44/721385244.db2.gz VTGRAAODLJWIRW-KRWDZBQOSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974742447 721392719 /nfs/dbraw/zinc/39/27/19/721392719.db2.gz PNNWTIMMWIWCQF-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974828533 721463029 /nfs/dbraw/zinc/46/30/29/721463029.db2.gz PIXUGLZQMFLVPH-KRWDZBQOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862403 721484239 /nfs/dbraw/zinc/48/42/39/721484239.db2.gz KAPAYQNZGPADCX-QZTJIDSGSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029012021 722632609 /nfs/dbraw/zinc/63/26/09/722632609.db2.gz GUJYWRJOYHNYKX-MRXNPFEDSA-N 2 0 333.476 2.749 20 30 EFEDRP CC[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000154634871 728832782 /nfs/dbraw/zinc/83/27/82/728832782.db2.gz HFJZZMLPFBWFNH-VQIMIIECSA-N 2 0 344.503 2.736 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000939313804 728866933 /nfs/dbraw/zinc/86/69/33/728866933.db2.gz JDUNNWOLNFGYSV-SUMWQHHRSA-N 2 0 335.879 2.551 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000985433124 724340944 /nfs/dbraw/zinc/34/09/44/724340944.db2.gz JHSVWYGWCXKECY-UHFFFAOYSA-N 2 0 346.862 2.932 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992153266 725566357 /nfs/dbraw/zinc/56/63/57/725566357.db2.gz UVAYDWDPQKLMHZ-CMKODMSKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992292933 725684227 /nfs/dbraw/zinc/68/42/27/725684227.db2.gz DTGHQNUNHMOBKP-QWFCFKBJSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992317669 725711129 /nfs/dbraw/zinc/71/11/29/725711129.db2.gz PCKPEUWPNFWTEM-QUCCMNQESA-N 2 0 327.472 2.661 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992399575 725777866 /nfs/dbraw/zinc/77/78/66/725777866.db2.gz CJLORTDYBUNOOD-CTNGQTDRSA-N 2 0 345.531 2.798 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151702630 725812161 /nfs/dbraw/zinc/81/21/61/725812161.db2.gz XSNKKMXKZNYPOT-BHIYHBOVSA-N 2 0 332.536 2.948 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992508330 725911574 /nfs/dbraw/zinc/91/15/74/725911574.db2.gz LUKKDBDMGFXCRN-UYAOXDASSA-N 2 0 327.472 2.661 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057816 726188492 /nfs/dbraw/zinc/18/84/92/726188492.db2.gz ZGJUYXBXWHTDCH-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC000992864530 726302711 /nfs/dbraw/zinc/30/27/11/726302711.db2.gz YQXNKMHZEFYHKI-RYQLBKOJSA-N 2 0 342.487 2.554 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC000992926437 726342581 /nfs/dbraw/zinc/34/25/81/726342581.db2.gz OFZMULDALDYDAN-XUVXKRRUSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993617016 727327140 /nfs/dbraw/zinc/32/71/40/727327140.db2.gz RUGRRFHOLFXAAI-MAUKXSAKSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993621306 727329227 /nfs/dbraw/zinc/32/92/27/727329227.db2.gz JTXYFFLMQPUUEC-QFBILLFUSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630189 727348478 /nfs/dbraw/zinc/34/84/78/727348478.db2.gz KNSXLVKKULWFSV-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993825294 727531386 /nfs/dbraw/zinc/53/13/86/727531386.db2.gz NHZGJMZEUGXHDI-VQIMIIECSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993825293 727531453 /nfs/dbraw/zinc/53/14/53/727531453.db2.gz NHZGJMZEUGXHDI-QFBILLFUSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994007534 727579055 /nfs/dbraw/zinc/57/90/55/727579055.db2.gz PMIJKUVITKADQR-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994007538 727579168 /nfs/dbraw/zinc/57/91/68/727579168.db2.gz PMIJKUVITKADQR-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012640 727579917 /nfs/dbraw/zinc/57/99/17/727579917.db2.gz VWOMLYFCWICMIV-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201933 727622063 /nfs/dbraw/zinc/62/20/63/727622063.db2.gz INOVZAWVTILCSZ-LPHOPBHVSA-N 2 0 333.520 2.654 20 30 EFEDRP COc1ccc(CNC(NC[C@H]2CCC[N@@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509215 727719681 /nfs/dbraw/zinc/71/96/81/727719681.db2.gz XQNWTGJOLJQTFX-MRXNPFEDSA-N 2 0 332.492 2.623 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994469459 727762752 /nfs/dbraw/zinc/76/27/52/727762752.db2.gz JIKXNVRTZZXMKU-WMZOPIPTSA-N 2 0 345.487 2.727 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489046 727769859 /nfs/dbraw/zinc/76/98/59/727769859.db2.gz SGZJOCOYTDCHIQ-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489049 727769901 /nfs/dbraw/zinc/76/99/01/727769901.db2.gz SGZJOCOYTDCHIQ-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493681 727770741 /nfs/dbraw/zinc/77/07/41/727770741.db2.gz FCIVEUSHRQDTFL-XLIONFOSSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493661 727770745 /nfs/dbraw/zinc/77/07/45/727770745.db2.gz FCIVEUSHRQDTFL-FXAWDEMLSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCc4nccn4C3)CCC[C@H]12 ZINC000991448503 727826505 /nfs/dbraw/zinc/82/65/05/727826505.db2.gz RRPWFNJISAZFPT-ABSDTBQOSA-N 2 0 342.487 2.525 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991468466 727877901 /nfs/dbraw/zinc/87/79/01/727877901.db2.gz CDIUPGBPIMTEJP-ICSRJNTNSA-N 2 0 338.455 2.946 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942174096 728343912 /nfs/dbraw/zinc/34/39/12/728343912.db2.gz UDJOMAGIUKFXKE-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829547 728529662 /nfs/dbraw/zinc/52/96/62/728529662.db2.gz PQKQPSSWDZLAPJ-OALUTQOASA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833081 728538351 /nfs/dbraw/zinc/53/83/51/728538351.db2.gz IUUBMGNZUSOYIN-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833082 728538503 /nfs/dbraw/zinc/53/85/03/728538503.db2.gz IUUBMGNZUSOYIN-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040911568 729104922 /nfs/dbraw/zinc/10/49/22/729104922.db2.gz GABLJTKIWSWZLX-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806957 729130144 /nfs/dbraw/zinc/13/01/44/729130144.db2.gz PWHFUZUAOVQTBH-CXAGYDPISA-N 2 0 335.879 2.551 20 30 EFEDRP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001574835735 1088113837 /nfs/dbraw/zinc/11/38/37/1088113837.db2.gz FLBGZMZBUCHIKO-RTBURBONSA-N 2 0 332.492 2.611 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849781 1088118872 /nfs/dbraw/zinc/11/88/72/1088118872.db2.gz QUTMHMMOCFHDNW-QZTJIDSGSA-N 2 0 349.906 2.968 20 30 EFEDRP C=CC[C@]1(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888357 1088139729 /nfs/dbraw/zinc/13/97/29/1088139729.db2.gz COWVGBLMFYYSKI-PZJWPPBQSA-N 2 0 341.499 2.808 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001574903979 1088147629 /nfs/dbraw/zinc/14/76/29/1088147629.db2.gz YVVBGQKPWFETQP-WDSOQIARSA-N 2 0 329.488 2.697 20 30 EFEDRP C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001578476992 1090382509 /nfs/dbraw/zinc/38/25/09/1090382509.db2.gz FINPMTVOFKERPT-UHFFFAOYSA-N 2 0 335.451 2.853 20 30 EFEDRP COc1cc(C#N)ccc1C[NH+]1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001579139129 1090524453 /nfs/dbraw/zinc/52/44/53/1090524453.db2.gz MIDQOONLAVXOTD-IBGZPJMESA-N 2 0 325.456 2.921 20 30 EFEDRP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580078382 1090766103 /nfs/dbraw/zinc/76/61/03/1090766103.db2.gz WMFPRMDCEOOFAA-CVEARBPZSA-N 2 0 328.416 2.678 20 30 EFEDRP N#Cc1cnc2ccccc2c1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001580081735 1090767086 /nfs/dbraw/zinc/76/70/86/1090767086.db2.gz PYGXFGUHWWXMIN-UHFFFAOYSA-N 2 0 349.482 2.618 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523330 1092569881 /nfs/dbraw/zinc/56/98/81/1092569881.db2.gz YROXVQRCJLORDE-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204898 1092693778 /nfs/dbraw/zinc/69/37/78/1092693778.db2.gz WKIDIBCBCFADCB-IRXDYDNUSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448193 1092754476 /nfs/dbraw/zinc/75/44/76/1092754476.db2.gz QESYUXWPXBAYKM-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC001075450941 1092922672 /nfs/dbraw/zinc/92/26/72/1092922672.db2.gz IKMGNAGEKKJUDE-QGZVFWFLSA-N 2 0 344.503 2.869 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104420437 1092926784 /nfs/dbraw/zinc/92/67/84/1092926784.db2.gz PDVDLRWTSDBHNA-UKRRQHHQSA-N 2 0 346.862 2.775 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075453772 1093038797 /nfs/dbraw/zinc/03/87/97/1093038797.db2.gz AUAHHBWXJGSXIW-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211557536 1093122726 /nfs/dbraw/zinc/12/27/26/1093122726.db2.gz VGGMTBZIFAOOBU-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211560371 1093152324 /nfs/dbraw/zinc/15/23/24/1093152324.db2.gz GCUSIAOEPLQOGX-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112515107 1093195996 /nfs/dbraw/zinc/19/59/96/1093195996.db2.gz VJUSGBWMJVXQLU-DYXWJJEUSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461923 1093334847 /nfs/dbraw/zinc/33/48/47/1093334847.db2.gz WTZCBOWNLCCILY-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625472 1094453699 /nfs/dbraw/zinc/45/36/99/1094453699.db2.gz IHHWKYFRSUUTOO-RBUKOAKNSA-N 2 0 343.515 2.877 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667647 1094570188 /nfs/dbraw/zinc/57/01/88/1094570188.db2.gz UMWYGABCMJVFEI-OIISXLGYSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001112518375 1094586776 /nfs/dbraw/zinc/58/67/76/1094586776.db2.gz GJSBACHTVNRTMQ-PXNSSMCTSA-N 2 0 345.487 2.749 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001112528514 1094646922 /nfs/dbraw/zinc/64/69/22/1094646922.db2.gz GCFSOADCJBBSLR-NSHGMRRFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529883 1094761595 /nfs/dbraw/zinc/76/15/95/1094761595.db2.gz TUGVGQRRRNJTSB-HBFSDRIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481506820 1094990613 /nfs/dbraw/zinc/99/06/13/1094990613.db2.gz LEHWWDMHDNXDGK-KRWDZBQOSA-N 2 0 341.927 2.785 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@H]21 ZINC001087293158 1095026139 /nfs/dbraw/zinc/02/61/39/1095026139.db2.gz ZGEFLMKLIKDHRE-OLMNPRSZSA-N 2 0 338.455 2.968 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301915 1095141892 /nfs/dbraw/zinc/14/18/92/1095141892.db2.gz KKULCTHXCXZXFM-GUDVDZBRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001087303206 1095160753 /nfs/dbraw/zinc/16/07/53/1095160753.db2.gz HYESMLRGRHDTAK-NZSAHSFTSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087307117 1095196828 /nfs/dbraw/zinc/19/68/28/1095196828.db2.gz UICOPCYIGXLROI-MISYRCLQSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309219 1095234460 /nfs/dbraw/zinc/23/44/60/1095234460.db2.gz CPQXCGSAULVGDF-RLLQIKCJSA-N 2 0 347.547 2.900 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167694149 1095651571 /nfs/dbraw/zinc/65/15/71/1095651571.db2.gz DNGXHKMVWNWJPR-SFHVURJKSA-N 2 0 333.520 2.540 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167705945 1096092075 /nfs/dbraw/zinc/09/20/75/1096092075.db2.gz RONORCGUGGASSZ-UHFFFAOYSA-N 2 0 333.520 2.561 20 30 EFEDRP C[Si](C)(C)C#Cc1cc(Cl)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878531 1096130984 /nfs/dbraw/zinc/13/09/84/1096130984.db2.gz UADFDMLBTKJYHO-UHFFFAOYSA-N 2 0 337.931 2.639 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H](CCC[NH3+])C(=O)OC)cc1 ZINC001167902246 1096377743 /nfs/dbraw/zinc/37/77/43/1096377743.db2.gz VLCPAMAJNUTWKV-MSOLQXFVSA-N 2 0 331.460 2.702 20 30 EFEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481752314 1096533368 /nfs/dbraw/zinc/53/33/68/1096533368.db2.gz ZMFYAWMUUTVSCM-INIZCTEOSA-N 2 0 327.900 2.538 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481752315 1096533468 /nfs/dbraw/zinc/53/34/68/1096533468.db2.gz ZMFYAWMUUTVSCM-MRXNPFEDSA-N 2 0 327.900 2.538 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001481960145 1097009728 /nfs/dbraw/zinc/00/97/28/1097009728.db2.gz BKQIUYLGWCSQBM-RHSMWYFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832790 1098712792 /nfs/dbraw/zinc/71/27/92/1098712792.db2.gz UDMNDMOSOZCGRR-NVXWUHKLSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104896365 1098932244 /nfs/dbraw/zinc/93/22/44/1098932244.db2.gz VVLCSLOJPDNFKV-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167737430 1098973736 /nfs/dbraw/zinc/97/37/36/1098973736.db2.gz SWGRYLGVTSCKJT-GOSISDBHSA-N 2 0 335.536 2.951 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924083 1099047096 /nfs/dbraw/zinc/04/70/96/1099047096.db2.gz FWZMJQMRYDHLQB-GDBMZVCRSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115560152 1099346467 /nfs/dbraw/zinc/34/64/67/1099346467.db2.gz SQIZNWQPLYMZFB-MRXNPFEDSA-N 2 0 327.488 2.651 20 30 EFEDRP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010512 1099357914 /nfs/dbraw/zinc/35/79/14/1099357914.db2.gz OQBPCKSCZKYYDO-GUDVDZBRSA-N 2 0 337.552 2.983 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742713 1099507331 /nfs/dbraw/zinc/50/73/31/1099507331.db2.gz UNCSRBROZCMALH-ZWKOTPCHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742712 1099507343 /nfs/dbraw/zinc/50/73/43/1099507343.db2.gz UNCSRBROZCMALH-ROUUACIJSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105066958 1099547369 /nfs/dbraw/zinc/54/73/69/1099547369.db2.gz HKQXXJAUNYVBDF-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675398 1099762243 /nfs/dbraw/zinc/76/22/43/1099762243.db2.gz QDBYTBNJYSZBAM-ZCNNSNEGSA-N 2 0 343.515 2.877 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573034 1100540533 /nfs/dbraw/zinc/54/05/33/1100540533.db2.gz QRUFHUDDVFVDRY-NZSAHSFTSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395790 1100559249 /nfs/dbraw/zinc/55/92/49/1100559249.db2.gz FMDKYJZKNCUDOP-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396655 1100586803 /nfs/dbraw/zinc/58/68/03/1100586803.db2.gz RPIQXRRKLUFQNE-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087659832 1100639801 /nfs/dbraw/zinc/63/98/01/1100639801.db2.gz DGRUWBGCMOGRDT-ZWKOTPCHSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671716 1100652797 /nfs/dbraw/zinc/65/27/97/1100652797.db2.gz MNNHUARZELBMHN-VQTJNVASSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698403 1100677635 /nfs/dbraw/zinc/67/76/35/1100677635.db2.gz VYBRYELYPXTEBE-IPMKNSEASA-N 2 0 333.520 2.939 20 30 EFEDRP C#CCOCCOCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031523 1100934617 /nfs/dbraw/zinc/93/46/17/1100934617.db2.gz ZPSYHDASXNKDRS-OALUTQOASA-N 2 0 344.499 2.684 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087963813 1101089501 /nfs/dbraw/zinc/08/95/01/1101089501.db2.gz IRRMUDIBJXAOLZ-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001482477896 1101142383 /nfs/dbraw/zinc/14/23/83/1101142383.db2.gz DLIGSDSEHCWZKZ-RDJZCZTQSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994087 1101164322 /nfs/dbraw/zinc/16/43/22/1101164322.db2.gz QMYGMIRLKXZXGS-HBFSDRIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993694 1101167135 /nfs/dbraw/zinc/16/71/35/1101167135.db2.gz YRAKYVDVYPADDP-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010288 1101189433 /nfs/dbraw/zinc/18/94/33/1101189433.db2.gz OYETVGJDPLPDBD-MOPGFXCFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078523 1101386283 /nfs/dbraw/zinc/38/62/83/1101386283.db2.gz KXWMQAHMPIWPKO-HBFSDRIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385652 1101391960 /nfs/dbraw/zinc/39/19/60/1101391960.db2.gz MKRNLCJSDVLZCY-INIZCTEOSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129811 1101622904 /nfs/dbraw/zinc/62/29/04/1101622904.db2.gz HKHMRAWSFGARQG-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129960 1101623433 /nfs/dbraw/zinc/62/34/33/1101623433.db2.gz OKQCWVURICXNDP-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088212857 1101891896 /nfs/dbraw/zinc/89/18/96/1101891896.db2.gz WTDVBCLIJOIEOY-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256652 1102363290 /nfs/dbraw/zinc/36/32/90/1102363290.db2.gz JWZQBQUNANWAMD-KURKYZTESA-N 2 0 341.515 2.707 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001104257858 1102364670 /nfs/dbraw/zinc/36/46/70/1102364670.db2.gz GSXXPCHWTHRLBO-HZPDHXFCSA-N 2 0 347.528 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cn2ccnc2C(C)C)CC1 ZINC001167351507 1102821293 /nfs/dbraw/zinc/82/12/93/1102821293.db2.gz CZYSAMBMFCGEOX-UHFFFAOYSA-N 2 0 338.883 2.635 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001088314777 1102866599 /nfs/dbraw/zinc/86/65/99/1102866599.db2.gz GSCBPLZRLLZOBS-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399127 1103425825 /nfs/dbraw/zinc/42/58/25/1103425825.db2.gz BLYQUSGLQRWBDW-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101522138 1104143089 /nfs/dbraw/zinc/14/30/89/1104143089.db2.gz OAHIGZSVGGEITN-INIZCTEOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569069 1104588477 /nfs/dbraw/zinc/58/84/77/1104588477.db2.gz GBMKIINOVRAXGF-AOIWGVFYSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230267 1105686789 /nfs/dbraw/zinc/68/67/89/1105686789.db2.gz ANPDAOJVFKGGMX-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517381 1105863699 /nfs/dbraw/zinc/86/36/99/1105863699.db2.gz BCPVXCZFYOPJFC-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518087 1105864762 /nfs/dbraw/zinc/86/47/62/1105864762.db2.gz QKCBDEAVWNHVHY-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542075 1105899731 /nfs/dbraw/zinc/89/97/31/1105899731.db2.gz OMMQNIPQAVRQBR-LJQANCHMSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105564214 1105934279 /nfs/dbraw/zinc/93/42/79/1105934279.db2.gz XZDBNVMOSYWDDG-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(Cl)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001105560631 1105937684 /nfs/dbraw/zinc/93/76/84/1105937684.db2.gz AKKMSKGWDCOPIX-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574872 1105960691 /nfs/dbraw/zinc/96/06/91/1105960691.db2.gz KRDIWHMRMXJTSL-SFHVURJKSA-N 2 0 345.531 2.799 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575202 1105962599 /nfs/dbraw/zinc/96/25/99/1105962599.db2.gz UTPPRRPUZXRDDB-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576896 1105965392 /nfs/dbraw/zinc/96/53/92/1105965392.db2.gz NTIPIRZKUZUVPE-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577508 1105966070 /nfs/dbraw/zinc/96/60/70/1105966070.db2.gz WGGOTBIGDLCEES-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577507 1105966221 /nfs/dbraw/zinc/96/62/21/1105966221.db2.gz WGGOTBIGDLCEES-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989448730 1106177184 /nfs/dbraw/zinc/17/71/84/1106177184.db2.gz WUPUHOGIBMVPJC-QFBILLFUSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CCCN(C(=O)[C@](C)(c2ccccc2)N(C)C)CC1 ZINC000989459525 1106289064 /nfs/dbraw/zinc/28/90/64/1106289064.db2.gz XPMBDLORWVWGFA-FQEVSTJZSA-N 2 0 329.488 2.574 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241314 1106488411 /nfs/dbraw/zinc/48/84/11/1106488411.db2.gz NEEBJIKMLARJPA-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319775 1106687992 /nfs/dbraw/zinc/68/79/92/1106687992.db2.gz XXWICLPRTWJIFF-NTFDOXNWSA-N 2 0 336.520 2.933 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000989845710 1106709527 /nfs/dbraw/zinc/70/95/27/1106709527.db2.gz YROOAJNKNKJRJV-CVEARBPZSA-N 2 0 333.476 2.890 20 30 EFEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1CC[NH+](C2CC2)CC1 ZINC000086483170 1106720686 /nfs/dbraw/zinc/72/06/86/1106720686.db2.gz CPMGBACHEYFHIP-UHFFFAOYSA-N 2 0 349.548 2.732 20 30 EFEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCC([NH+](C)C)CC1)CCO2 ZINC001168323155 1106728264 /nfs/dbraw/zinc/72/82/64/1106728264.db2.gz SGGMJCFPHMMVEQ-YNIZLOQISA-N 2 0 336.520 2.933 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1C[NH3+])C(C)C ZINC000904663816 1108102273 /nfs/dbraw/zinc/10/22/73/1108102273.db2.gz DEEDVFWKYWDFNK-GOSISDBHSA-N 2 0 330.476 2.965 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036649 1108608070 /nfs/dbraw/zinc/60/80/70/1108608070.db2.gz XJFAWHYQNVXQKP-ACBHZAAOSA-N 2 0 335.536 2.948 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658879 1108624683 /nfs/dbraw/zinc/62/46/83/1108624683.db2.gz JXVQGXOIQVFJHE-YFVAEKQCSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001112468277 1108718340 /nfs/dbraw/zinc/71/83/40/1108718340.db2.gz CAQZQCSAMHBNCD-PXNSSMCTSA-N 2 0 338.455 2.742 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769975 1108726461 /nfs/dbraw/zinc/72/64/61/1108726461.db2.gz QKUDFJGHJCSQKG-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309917 1111397401 /nfs/dbraw/zinc/39/74/01/1111397401.db2.gz HHSLGBBVRPCLPD-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106347467 1111450385 /nfs/dbraw/zinc/45/03/85/1111450385.db2.gz ZNGKMCYUONAOMD-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106477964 1111568748 /nfs/dbraw/zinc/56/87/48/1111568748.db2.gz VCIZBASUYSBTLI-QRQLOZEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106482978 1111570104 /nfs/dbraw/zinc/57/01/04/1111570104.db2.gz QTPHIDGHQHCVTO-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479828 1111570536 /nfs/dbraw/zinc/57/05/36/1111570536.db2.gz SIFOEKLCQULHBH-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574253 1111641264 /nfs/dbraw/zinc/64/12/64/1111641264.db2.gz CZDHXVTVFUCWQE-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574250 1111641366 /nfs/dbraw/zinc/64/13/66/1111641366.db2.gz CZDHXVTVFUCWQE-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660662 1111706167 /nfs/dbraw/zinc/70/61/67/1111706167.db2.gz WLXJXGZIUYMYFA-BMFZPTHFSA-N 2 0 329.916 2.543 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667938 1111712090 /nfs/dbraw/zinc/71/20/90/1111712090.db2.gz CYZBSDMLYOUWRA-KZNAEPCWSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728775 1111770466 /nfs/dbraw/zinc/77/04/66/1111770466.db2.gz QNPPHFBRRISFFT-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310448 1112008582 /nfs/dbraw/zinc/00/85/82/1112008582.db2.gz MTOQWYQPCDQTHM-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386070 1112049536 /nfs/dbraw/zinc/04/95/36/1112049536.db2.gz MKPVWUNSFWZNKJ-ROUUACIJSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386305 1112050106 /nfs/dbraw/zinc/05/01/06/1112050106.db2.gz OHKOKHJPEXABHN-ZWKOTPCHSA-N 2 0 333.520 2.511 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428499 1112119742 /nfs/dbraw/zinc/11/97/42/1112119742.db2.gz YPPXYSBLCOOIMM-MOPGFXCFSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089431070 1112123403 /nfs/dbraw/zinc/12/34/03/1112123403.db2.gz YEOYTKGJTHULSS-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089440566 1112148586 /nfs/dbraw/zinc/14/85/86/1112148586.db2.gz BFAWVEYUMVZFCP-HNNXBMFYSA-N 2 0 338.883 2.551 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443165 1112152291 /nfs/dbraw/zinc/15/22/91/1112152291.db2.gz YQABBZNOSNWISK-INIZCTEOSA-N 2 0 326.444 2.741 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473519 1112200734 /nfs/dbraw/zinc/20/07/34/1112200734.db2.gz YKJYELFROZYSDK-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486535 1112221502 /nfs/dbraw/zinc/22/15/02/1112221502.db2.gz ACGMLMTZSZQOCS-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509886 1112259983 /nfs/dbraw/zinc/25/99/83/1112259983.db2.gz KHTIORLFDUYLLB-RBUKOAKNSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089537446 1112276709 /nfs/dbraw/zinc/27/67/09/1112276709.db2.gz MKEDUDBNBSPKQO-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642221 1112435782 /nfs/dbraw/zinc/43/57/82/1112435782.db2.gz FNCFJLDCKTZYRE-KZNAEPCWSA-N 2 0 335.536 2.900 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650081 1112474957 /nfs/dbraw/zinc/47/49/57/1112474957.db2.gz UFKDSXJQKUGCOU-RBUKOAKNSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001483914752 1112556330 /nfs/dbraw/zinc/55/63/30/1112556330.db2.gz RALXJICLZXBSPZ-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089663659 1112607301 /nfs/dbraw/zinc/60/73/01/1112607301.db2.gz RSHRIMYXFOBJEJ-RTBURBONSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722642 1112950443 /nfs/dbraw/zinc/95/04/43/1112950443.db2.gz BVUITVMLTHADQZ-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001089726789 1112965246 /nfs/dbraw/zinc/96/52/46/1112965246.db2.gz RBWYWIRZCCXVEL-XLIONFOSSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001484822559 1117757610 /nfs/dbraw/zinc/75/76/10/1117757610.db2.gz GSWRDMTWBPSXOE-WOJBJXKFSA-N 2 0 343.515 2.836 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001485243566 1118174959 /nfs/dbraw/zinc/17/49/59/1118174959.db2.gz XWYRJBMKAVRWDE-UHFFFAOYSA-N 2 0 341.927 2.974 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CCC1 ZINC000183834520 1118786260 /nfs/dbraw/zinc/78/62/60/1118786260.db2.gz HSGNLWUJDFNKJW-INIZCTEOSA-N 2 0 344.503 2.506 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435469 1118803538 /nfs/dbraw/zinc/80/35/38/1118803538.db2.gz LTUIDDHQLJNPPW-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517692 1118917877 /nfs/dbraw/zinc/91/78/77/1118917877.db2.gz DTYLWGWZVAUKOM-QAPCUYQASA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942529957 1118930845 /nfs/dbraw/zinc/93/08/45/1118930845.db2.gz OFORLHKJPPXEHM-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581434 1118989619 /nfs/dbraw/zinc/98/96/19/1118989619.db2.gz GQUCUGYJQXMETL-NVXWUHKLSA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942722893 1119086694 /nfs/dbraw/zinc/08/66/94/1119086694.db2.gz PQNGBDQAYXSGFI-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514428 1119529426 /nfs/dbraw/zinc/52/94/26/1119529426.db2.gz CEXPQNGMBFOXIK-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943875591 1119766102 /nfs/dbraw/zinc/76/61/02/1119766102.db2.gz FBQUSAKFGMGYPL-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875571 1119766205 /nfs/dbraw/zinc/76/62/05/1119766205.db2.gz DTGHDUHETSWDRC-VQIMIIECSA-N 2 0 338.455 2.889 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180111 1120649076 /nfs/dbraw/zinc/64/90/76/1120649076.db2.gz KOIGVJIHCICAFQ-MJGOQNOKSA-N 2 0 347.547 2.594 20 30 EFEDRP CC[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000181476918 529489763 /nfs/dbraw/zinc/48/97/63/529489763.db2.gz YHNUMXFDWARPHU-NRFANRHFSA-N 2 0 340.515 2.987 20 30 EFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859759 234355840 /nfs/dbraw/zinc/35/58/40/234355840.db2.gz VSURJESLWGEGBG-SFTDATJTSA-N 2 0 340.515 2.985 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262428721 240351024 /nfs/dbraw/zinc/35/10/24/240351024.db2.gz SCTKZVAZPLHCMZ-XUVXKRRUSA-N 2 0 340.515 2.753 20 30 EFEDRP C[NH+]=C(NCC1([NH+]2CCC(OC)CC2)CCCC1)NC1CCCC1 ZINC000262482898 240357300 /nfs/dbraw/zinc/35/73/00/240357300.db2.gz VKQDJIYWADWCGQ-UHFFFAOYSA-N 2 0 336.524 2.518 20 30 EFEDRP CC/[NH+]=C(/N(C)C)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262483517 240357391 /nfs/dbraw/zinc/35/73/91/240357391.db2.gz SBAYHOUULVGOAT-GOBJLOIFSA-N 2 0 328.504 2.912 20 30 EFEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)([NH+](C)C)C1 ZINC000262563934 240360478 /nfs/dbraw/zinc/36/04/78/240360478.db2.gz XFYVDJXCAGAPNI-OXFYSEKESA-N 2 0 344.503 2.925 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000072725496 216300588 /nfs/dbraw/zinc/30/05/88/216300588.db2.gz WKRJYYXFYMPFOI-SFHVURJKSA-N 2 0 328.460 2.693 20 30 EFEDRP C=CC[N@@H+](CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000191760367 240005719 /nfs/dbraw/zinc/00/57/19/240005719.db2.gz KZPNMPLQOZMNAF-UHFFFAOYSA-N 2 0 331.504 2.851 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000192706001 240059358 /nfs/dbraw/zinc/05/93/58/240059358.db2.gz XOWJEFJPZJQWGB-WOJBJXKFSA-N 2 0 326.488 2.606 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000248369456 240288923 /nfs/dbraw/zinc/28/89/23/240288923.db2.gz WHDANPRKEFUCNJ-DLBZAZTESA-N 2 0 346.544 2.628 20 30 EFEDRP C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261937205 240329911 /nfs/dbraw/zinc/32/99/11/240329911.db2.gz CRINEPFXJGVLFW-SUMWQHHRSA-N 2 0 340.471 2.889 20 30 EFEDRP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262016426 240343155 /nfs/dbraw/zinc/34/31/55/240343155.db2.gz XTVILPIYQVIBMO-GXFFZTMASA-N 2 0 326.897 2.549 20 30 EFEDRP C[NH+]=C(NCc1cccc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262805037 240370108 /nfs/dbraw/zinc/37/01/08/240370108.db2.gz WLGMPOMUMMFTPJ-LJQANCHMSA-N 2 0 334.467 2.861 20 30 EFEDRP C[NH+]=C(NC[C@H](C)Sc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262792715 240370659 /nfs/dbraw/zinc/37/06/59/240370659.db2.gz OQBRIUWOZCUTES-IRXDYDNUSA-N 2 0 344.528 2.689 20 30 EFEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC[C@H](C)C1 ZINC000262826255 240372793 /nfs/dbraw/zinc/37/27/93/240372793.db2.gz ZRUFFHAEIBAQQI-INIZCTEOSA-N 2 0 338.540 2.573 20 30 EFEDRP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264063812 240399907 /nfs/dbraw/zinc/39/99/07/240399907.db2.gz AIYTUYXENYMULG-IBGZPJMESA-N 2 0 328.504 2.598 20 30 EFEDRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000329200637 241323048 /nfs/dbraw/zinc/32/30/48/241323048.db2.gz VKIRVRZCIHCILX-UHOFOFEASA-N 2 0 344.463 2.793 20 30 EFEDRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000329200635 241325188 /nfs/dbraw/zinc/32/51/88/241325188.db2.gz VKIRVRZCIHCILX-RCBQFDQVSA-N 2 0 344.463 2.793 20 30 EFEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354428544 241998309 /nfs/dbraw/zinc/99/83/09/241998309.db2.gz LGXGPZARNXZQAY-KRWDZBQOSA-N 2 0 342.487 2.595 20 30 EFEDRP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358519781 242123370 /nfs/dbraw/zinc/12/33/70/242123370.db2.gz SSHDZNCFIFNRTB-UHFFFAOYSA-N 2 0 345.512 2.979 20 30 EFEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000442708339 250103751 /nfs/dbraw/zinc/10/37/51/250103751.db2.gz FYQUBVVILRTBKB-LEWJYISDSA-N 2 0 340.515 2.866 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442709588 250105204 /nfs/dbraw/zinc/10/52/04/250105204.db2.gz OQZIASXRMOSJCO-XLIONFOSSA-N 2 0 326.488 2.606 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442709585 250105491 /nfs/dbraw/zinc/10/54/91/250105491.db2.gz OQZIASXRMOSJCO-PXNSSMCTSA-N 2 0 326.488 2.606 20 30 EFEDRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000450246066 251312886 /nfs/dbraw/zinc/31/28/86/251312886.db2.gz ZTRJBEDBJJMNBM-OAQYLSRUSA-N 2 0 340.515 2.939 20 30 EFEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000118868148 221198685 /nfs/dbraw/zinc/19/86/85/221198685.db2.gz IWGFWNPYEJZUOQ-UHFFFAOYSA-N 2 0 328.460 2.551 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000344171354 145384614 /nfs/dbraw/zinc/38/46/14/145384614.db2.gz RKAAPALOSMGZQI-GOSISDBHSA-N 2 0 328.504 2.969 20 30 EFEDRP CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+](CC)CC ZINC000359598179 148135019 /nfs/dbraw/zinc/13/50/19/148135019.db2.gz UWJFMTREMFWYKE-LJQANCHMSA-N 2 0 344.503 2.569 20 30 EFEDRP Cn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1C#N ZINC000359726885 148173678 /nfs/dbraw/zinc/17/36/78/148173678.db2.gz YLLSGWUNFLJSDL-UHFFFAOYSA-N 2 0 338.455 2.661 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289337 149117253 /nfs/dbraw/zinc/11/72/53/149117253.db2.gz JJAMIYGWJXFCCE-SFTDATJTSA-N 2 0 338.499 2.739 20 30 EFEDRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248190 151307747 /nfs/dbraw/zinc/30/77/47/151307747.db2.gz AKSUWCIBYMGSJS-DYESRHJHSA-N 2 0 334.467 2.996 20 30 EFEDRP N#Cc1cccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423108096 270027900 /nfs/dbraw/zinc/02/79/00/270027900.db2.gz SRQAVHAPJKBYBV-CTNGQTDRSA-N 2 0 333.435 2.946 20 30 EFEDRP N#Cc1cccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423108098 270028171 /nfs/dbraw/zinc/02/81/71/270028171.db2.gz SRQAVHAPJKBYBV-PZJWPPBQSA-N 2 0 333.435 2.946 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850147 267179202 /nfs/dbraw/zinc/17/92/02/267179202.db2.gz IOONTUKDGPXEFZ-YSSFQJQWSA-N 2 0 327.472 2.977 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850140 267179655 /nfs/dbraw/zinc/17/96/55/267179655.db2.gz IOONTUKDGPXEFZ-CWFSZBLJSA-N 2 0 327.472 2.977 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138765 290393348 /nfs/dbraw/zinc/39/33/48/290393348.db2.gz UVHDVZLVZLPXIN-LPHOPBHVSA-N 2 0 342.487 2.698 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(F)c1 ZINC000580639814 324202676 /nfs/dbraw/zinc/20/26/76/324202676.db2.gz NWVADPJWGWTJLB-TVXGVJEUSA-N 2 0 328.435 2.539 20 30 EFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571506 473223419 /nfs/dbraw/zinc/22/34/19/473223419.db2.gz MITDOARRCVONEX-QGZVFWFLSA-N 2 0 328.460 2.551 20 30 EFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633642 473236776 /nfs/dbraw/zinc/23/67/76/473236776.db2.gz JHIXFOQKNKQYQM-SFHVURJKSA-N 2 0 340.471 2.551 20 30 EFEDRP CC(C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083030751 473315881 /nfs/dbraw/zinc/31/58/81/473315881.db2.gz FGTCSMAHNMSCGR-DLBZAZTESA-N 2 0 330.476 2.535 20 30 EFEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031833 473316247 /nfs/dbraw/zinc/31/62/47/473316247.db2.gz FYNMSRWVRCHVPD-SJLPKXTDSA-N 2 0 344.503 2.927 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC000083033999 473317721 /nfs/dbraw/zinc/31/77/21/473317721.db2.gz NSJRHBUANNMSID-NVXWUHKLSA-N 2 0 330.476 2.535 20 30 EFEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000071185239 472543288 /nfs/dbraw/zinc/54/32/88/472543288.db2.gz HSRXAUKVPGYRBL-UHFFFAOYSA-N 2 0 340.471 2.695 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132894210 472761348 /nfs/dbraw/zinc/76/13/48/472761348.db2.gz OBHDHDKFPHUISM-MSOLQXFVSA-N 2 0 342.483 2.850 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000106257083 472835439 /nfs/dbraw/zinc/83/54/39/472835439.db2.gz LZVTUHHXFBEZNM-UHFFFAOYSA-N 2 0 344.503 2.588 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000106329211 472841188 /nfs/dbraw/zinc/84/11/88/472841188.db2.gz URVBBIIGIZNUCZ-KRWDZBQOSA-N 2 0 336.524 2.591 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043475 472847478 /nfs/dbraw/zinc/84/74/78/472847478.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 2 0 326.488 2.953 20 30 EFEDRP C[C@H]1C[NH+](CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000158103583 472893661 /nfs/dbraw/zinc/89/36/61/472893661.db2.gz LSTQQAFQMDDOPF-ROUUACIJSA-N 2 0 344.474 2.998 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000048783005 472909818 /nfs/dbraw/zinc/90/98/18/472909818.db2.gz HXDYLBBDUCUZSC-UHFFFAOYSA-N 2 0 334.467 2.595 20 30 EFEDRP N#Cc1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134860318 472978734 /nfs/dbraw/zinc/97/87/34/472978734.db2.gz SRQVQBDSIVHEMS-YLJYHZDGSA-N 2 0 325.456 2.886 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160158007 473092372 /nfs/dbraw/zinc/09/23/72/473092372.db2.gz HBMBVPJPKBWBAI-FXRXJOCMSA-N 2 0 344.478 2.984 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+](C)C1CC1 ZINC000160713505 473165272 /nfs/dbraw/zinc/16/52/72/473165272.db2.gz MDADYSJQZZMRMZ-JTQLQIEISA-N 2 0 330.354 2.795 20 30 EFEDRP C=CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111256994 473200375 /nfs/dbraw/zinc/20/03/75/473200375.db2.gz VIVZRRYYJYXWQT-FXAWDEMLSA-N 2 0 341.499 2.664 20 30 EFEDRP C=CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111257000 473200417 /nfs/dbraw/zinc/20/04/17/473200417.db2.gz VIVZRRYYJYXWQT-XLIONFOSSA-N 2 0 341.499 2.664 20 30 EFEDRP C=CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111256996 473200590 /nfs/dbraw/zinc/20/05/90/473200590.db2.gz VIVZRRYYJYXWQT-YLJYHZDGSA-N 2 0 341.499 2.664 20 30 EFEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087201 473439141 /nfs/dbraw/zinc/43/91/41/473439141.db2.gz SNBLWSIHGBYWAB-CYBMUJFWSA-N 2 0 343.302 2.952 20 30 EFEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000127644774 473635897 /nfs/dbraw/zinc/63/58/97/473635897.db2.gz LLBKRFFNFZQKOB-IBGZPJMESA-N 2 0 340.515 2.700 20 30 EFEDRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000192727277 473713955 /nfs/dbraw/zinc/71/39/55/473713955.db2.gz LQPLJQVSLXSDAT-UHFFFAOYSA-N 2 0 340.515 2.939 20 30 EFEDRP Cn1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180075537 473792481 /nfs/dbraw/zinc/79/24/81/473792481.db2.gz UTLWQYMLYUGNRA-UHFFFAOYSA-N 2 0 337.471 2.732 20 30 EFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180113380 473802422 /nfs/dbraw/zinc/80/24/22/473802422.db2.gz CTQFJXOXPMZMRM-QGZVFWFLSA-N 2 0 337.471 2.780 20 30 EFEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000269426700 473809372 /nfs/dbraw/zinc/80/93/72/473809372.db2.gz NQTOUKNEIVQYBO-UHFFFAOYSA-N 2 0 341.430 2.970 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c(F)c1 ZINC000269456830 473816458 /nfs/dbraw/zinc/81/64/58/473816458.db2.gz XCGAQQZAKJPKBV-UHFFFAOYSA-N 2 0 339.414 2.819 20 30 EFEDRP COc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281812567 473845827 /nfs/dbraw/zinc/84/58/27/473845827.db2.gz WDMDYQVLIACQJJ-HOTGVXAUSA-N 2 0 331.460 2.546 20 30 EFEDRP C#CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000274584084 473882604 /nfs/dbraw/zinc/88/26/04/473882604.db2.gz IFOBEVJNLSSXBP-NHCUHLMSSA-N 2 0 349.478 2.760 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646288 473928394 /nfs/dbraw/zinc/92/83/94/473928394.db2.gz LGUMQFAESXWNHG-IERDGZPVSA-N 2 0 335.451 2.976 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000264087048 473949395 /nfs/dbraw/zinc/94/93/95/473949395.db2.gz JWRBECVBOIEUPW-UHFFFAOYSA-N 2 0 332.492 2.612 20 30 EFEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264115348 473950562 /nfs/dbraw/zinc/95/05/62/473950562.db2.gz PTEMBAZNFDVAEJ-UHFFFAOYSA-N 2 0 332.370 2.900 20 30 EFEDRP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106926 473950611 /nfs/dbraw/zinc/95/06/11/473950611.db2.gz PVYNGSGROLVFDS-MNOVXSKESA-N 2 0 329.275 2.910 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264467294 474003941 /nfs/dbraw/zinc/00/39/41/474003941.db2.gz HSANAIWJEIUOBE-UHFFFAOYSA-N 2 0 341.499 2.665 20 30 EFEDRP N#Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000182048959 474088535 /nfs/dbraw/zinc/08/85/35/474088535.db2.gz JPKNZHTYGQMJOQ-UHFFFAOYSA-N 2 0 339.439 2.958 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000275513387 474216151 /nfs/dbraw/zinc/21/61/51/474216151.db2.gz DCAUTKYHJUDVEX-UHFFFAOYSA-N 2 0 330.354 2.796 20 30 EFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248758533 474428220 /nfs/dbraw/zinc/42/82/20/474428220.db2.gz DAAGJEBNWNBPPJ-AHRSYUTCSA-N 2 0 327.472 2.815 20 30 EFEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000290424859 474570521 /nfs/dbraw/zinc/57/05/21/474570521.db2.gz RGBHVJPZUBATEX-UHFFFAOYSA-N 2 0 334.463 2.914 20 30 EFEDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746884 474594713 /nfs/dbraw/zinc/59/47/13/474594713.db2.gz KLPGANVMBFCTIJ-SFHVURJKSA-N 2 0 344.503 2.627 20 30 EFEDRP C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864098 474597133 /nfs/dbraw/zinc/59/71/33/474597133.db2.gz USLDNLGAVVYKDA-IERDGZPVSA-N 2 0 335.451 2.628 20 30 EFEDRP CCN(CC)C(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267295212 474640654 /nfs/dbraw/zinc/64/06/54/474640654.db2.gz JHHHHLSKUZNUED-UHFFFAOYSA-N 2 0 346.519 2.714 20 30 EFEDRP C=C(C)CNC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267373829 474664170 /nfs/dbraw/zinc/66/41/70/474664170.db2.gz UAOQTBORYZLWPU-UHFFFAOYSA-N 2 0 344.503 2.538 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000267388162 474666282 /nfs/dbraw/zinc/66/62/82/474666282.db2.gz VPZUVUMYCWRZCI-UHFFFAOYSA-N 2 0 345.535 2.564 20 30 EFEDRP CC1CC[NH+](CCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000267544141 474674106 /nfs/dbraw/zinc/67/41/06/474674106.db2.gz ZGNFQKBJQCREII-UHFFFAOYSA-N 2 0 346.475 2.506 20 30 EFEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267824734 474681870 /nfs/dbraw/zinc/68/18/70/474681870.db2.gz AUTAEMXBUPQAIM-INIZCTEOSA-N 2 0 332.492 2.649 20 30 EFEDRP Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000278537514 474687473 /nfs/dbraw/zinc/68/74/73/474687473.db2.gz WNMSRMUVIWDBLI-UHFFFAOYSA-N 2 0 349.482 2.923 20 30 EFEDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278719733 474794755 /nfs/dbraw/zinc/79/47/55/474794755.db2.gz MCVIVNHQUMMKLJ-PXNSSMCTSA-N 2 0 328.504 2.873 20 30 EFEDRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000273240349 474798380 /nfs/dbraw/zinc/79/83/80/474798380.db2.gz QCTNZRYNCHVODR-MRXNPFEDSA-N 2 0 344.503 2.615 20 30 EFEDRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278869205 474884997 /nfs/dbraw/zinc/88/49/97/474884997.db2.gz WWBLYWQNRRFBIN-HXUWFJFHSA-N 2 0 349.482 2.946 20 30 EFEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345149800 474938838 /nfs/dbraw/zinc/93/88/38/474938838.db2.gz ZADRNPCLJGZASN-MRXNPFEDSA-N 2 0 342.487 2.569 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C(C)C ZINC000279012874 474955720 /nfs/dbraw/zinc/95/57/20/474955720.db2.gz LSMSPJDHKNXABI-IBGZPJMESA-N 2 0 333.520 2.676 20 30 EFEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268962784 475098327 /nfs/dbraw/zinc/09/83/27/475098327.db2.gz JOEVWJDODWDZNX-LEWJYISDSA-N 2 0 342.483 2.556 20 30 EFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677481 475654587 /nfs/dbraw/zinc/65/45/87/475654587.db2.gz HGONOPZFVWLJCL-IRXDYDNUSA-N 2 0 337.427 2.524 20 30 EFEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000348834920 475870803 /nfs/dbraw/zinc/87/08/03/475870803.db2.gz RVZOUZKEIWZQJX-UHFFFAOYSA-N 2 0 340.515 2.602 20 30 EFEDRP C=CCOc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1OC ZINC000346843283 475905163 /nfs/dbraw/zinc/90/51/63/475905163.db2.gz XXMRMMKNUGNKCP-UHFFFAOYSA-N 2 0 334.460 2.590 20 30 EFEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000340601531 476141610 /nfs/dbraw/zinc/14/16/10/476141610.db2.gz SUVPKRCPPGZVGI-KRWDZBQOSA-N 2 0 348.535 2.771 20 30 EFEDRP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350922598 476314241 /nfs/dbraw/zinc/31/42/41/476314241.db2.gz VUCHFJNNTNREAO-GNZRSQJKSA-N 2 0 348.535 2.579 20 30 EFEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655234 476331134 /nfs/dbraw/zinc/33/11/34/476331134.db2.gz CNDCDBMSCXDZEU-OAQYLSRUSA-N 2 0 340.515 2.941 20 30 EFEDRP C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000360838876 476420263 /nfs/dbraw/zinc/42/02/63/476420263.db2.gz VUZPHDOFRMTMTA-DYESRHJHSA-N 2 0 340.515 2.799 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415135532 476909307 /nfs/dbraw/zinc/90/93/07/476909307.db2.gz WTFYABDNYCHJMC-VQTJNVASSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370651481 476916142 /nfs/dbraw/zinc/91/61/42/476916142.db2.gz QIABBXQQGCPIAJ-GOSISDBHSA-N 2 0 341.499 2.665 20 30 EFEDRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000370704679 476943395 /nfs/dbraw/zinc/94/33/95/476943395.db2.gz ANYWGQSTIQGHAY-UHFFFAOYSA-N 2 0 346.500 2.756 20 30 EFEDRP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423218986 476967524 /nfs/dbraw/zinc/96/75/24/476967524.db2.gz SWMJMEMSLXDMGV-VQIMIIECSA-N 2 0 326.488 2.500 20 30 EFEDRP C[C@@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000423351338 477002597 /nfs/dbraw/zinc/00/25/97/477002597.db2.gz YVDIHGYSEGSAEB-HXUWFJFHSA-N 2 0 326.488 2.502 20 30 EFEDRP C=CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371336178 477252740 /nfs/dbraw/zinc/25/27/40/477252740.db2.gz NYJZRCKZVRUCMW-FQEVSTJZSA-N 2 0 343.515 2.852 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000424130758 477301645 /nfs/dbraw/zinc/30/16/45/477301645.db2.gz HTZQUGDCCODVDN-IAGOWNOFSA-N 2 0 348.878 2.614 20 30 EFEDRP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2)CC1 ZINC000424131717 477303388 /nfs/dbraw/zinc/30/33/88/477303388.db2.gz JQNZWAFOSHYXBF-RTBURBONSA-N 2 0 342.487 2.597 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142475 477306087 /nfs/dbraw/zinc/30/60/87/477306087.db2.gz YHJQCOMXABQZTJ-QFBILLFUSA-N 2 0 342.487 2.556 20 30 EFEDRP C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCC1)c1ccccc1 ZINC000424149880 477310081 /nfs/dbraw/zinc/31/00/81/477310081.db2.gz XSTIHVGSVOLMBC-FUHWJXTLSA-N 2 0 342.487 2.787 20 30 EFEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000435743473 477364464 /nfs/dbraw/zinc/36/44/64/477364464.db2.gz ACTRAJNZECJEIJ-TZIWHRDSSA-N 2 0 343.515 2.899 20 30 EFEDRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449331061 477548776 /nfs/dbraw/zinc/54/87/76/477548776.db2.gz WXNPZEZFIALBHE-UHFFFAOYSA-N 2 0 330.476 2.974 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000377013248 477601988 /nfs/dbraw/zinc/60/19/88/477601988.db2.gz JACMEUJDWQRDET-UHFFFAOYSA-N 2 0 331.435 2.632 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420328886 477698921 /nfs/dbraw/zinc/69/89/21/477698921.db2.gz NHIRRSAGIUTXMK-ROUUACIJSA-N 2 0 329.488 2.795 20 30 EFEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000437574124 477719858 /nfs/dbraw/zinc/71/98/58/477719858.db2.gz BXAZMEREUBUSLL-UHFFFAOYSA-N 2 0 345.487 2.890 20 30 EFEDRP C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000372420005 477795822 /nfs/dbraw/zinc/79/58/22/477795822.db2.gz FRJGXOYTHUFOHW-AZUAARDMSA-N 2 0 341.499 2.631 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821061 477886973 /nfs/dbraw/zinc/88/69/73/477886973.db2.gz RDJDSSXRWSQCBM-MAUKXSAKSA-N 2 0 328.460 2.691 20 30 EFEDRP C=CCC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000438973766 477913644 /nfs/dbraw/zinc/91/36/44/477913644.db2.gz AMRJQZAOCFJGCB-FQEVSTJZSA-N 2 0 328.504 2.928 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)CC(C)C)CC1 ZINC000517341930 478080844 /nfs/dbraw/zinc/08/08/44/478080844.db2.gz YTAHLWUKHSACTK-UHFFFAOYSA-N 2 0 338.540 2.646 20 30 EFEDRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1C#N ZINC000488326194 478138997 /nfs/dbraw/zinc/13/89/97/478138997.db2.gz LECDGHOOICTPNH-UHFFFAOYSA-N 2 0 340.515 2.716 20 30 EFEDRP C#CC[NH+]1CCC(c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)CC1 ZINC000491288167 478498169 /nfs/dbraw/zinc/49/81/69/478498169.db2.gz QISPJLKXLXRJRS-UHFFFAOYSA-N 2 0 342.418 2.750 20 30 EFEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572052 478583026 /nfs/dbraw/zinc/58/30/26/478583026.db2.gz IRCDMDBSHUXWIA-HVFKPGDCSA-N 2 0 343.471 2.590 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000563710058 478621945 /nfs/dbraw/zinc/62/19/45/478621945.db2.gz XSNHZTPWHNJOHL-FQEVSTJZSA-N 2 0 344.499 2.619 20 30 EFEDRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595297091 478719886 /nfs/dbraw/zinc/71/98/86/478719886.db2.gz BCCUGGIEDTTXFQ-RTBURBONSA-N 2 0 340.515 2.591 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565489267 479020239 /nfs/dbraw/zinc/02/02/39/479020239.db2.gz REKVKQXEUYILCV-IBGZPJMESA-N 2 0 341.499 2.665 20 30 EFEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000584166907 479036552 /nfs/dbraw/zinc/03/65/52/479036552.db2.gz PGVPSEHRDZWCQY-UAGQMJEPSA-N 2 0 330.451 2.644 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316032 479037934 /nfs/dbraw/zinc/03/79/34/479037934.db2.gz XSRJYWZDJPBPOJ-HFTRVMKXSA-N 2 0 330.451 2.644 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000567776314 479114452 /nfs/dbraw/zinc/11/44/52/479114452.db2.gz WZNWWWOZZIBQDE-UXHICEINSA-N 2 0 341.499 2.688 20 30 EFEDRP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000598993506 479118134 /nfs/dbraw/zinc/11/81/34/479118134.db2.gz CUTJKQIXIJZYBI-QGZVFWFLSA-N 2 0 337.471 2.780 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000611392870 479367255 /nfs/dbraw/zinc/36/72/55/479367255.db2.gz RJAVYUVVVMRPBE-AZUAARDMSA-N 2 0 327.472 2.762 20 30 EFEDRP C[C@@H](CCC#N)C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000602508244 479373374 /nfs/dbraw/zinc/37/33/74/479373374.db2.gz LJVYQVFPWJSNPU-ICSRJNTNSA-N 2 0 328.504 2.895 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602515800 479377485 /nfs/dbraw/zinc/37/74/85/479377485.db2.gz YDRLTVCMOPZVFU-GOSISDBHSA-N 2 0 328.504 2.854 20 30 EFEDRP C[C@@H](CCC#N)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602660519 479454499 /nfs/dbraw/zinc/45/44/99/479454499.db2.gz DWMXHGLWDAWLDP-IBGZPJMESA-N 2 0 328.504 2.676 20 30 EFEDRP C[C@H](CCC#N)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665647 479460787 /nfs/dbraw/zinc/46/07/87/479460787.db2.gz WNTAIQUQIIKZQJ-TZIWHRDSSA-N 2 0 340.515 2.818 20 30 EFEDRP CN1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000618561372 479493315 /nfs/dbraw/zinc/49/33/15/479493315.db2.gz BDOGWPDGCQXOCU-IXDOHACOSA-N 2 0 332.517 2.709 20 30 EFEDRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000593912126 479505516 /nfs/dbraw/zinc/50/55/16/479505516.db2.gz ASUGCZJKXMJGRK-IMBTUZDBSA-N 2 0 342.487 2.517 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000614403100 480296899 /nfs/dbraw/zinc/29/68/99/480296899.db2.gz COWZMHJZEBJLTI-UHFFFAOYSA-N 2 0 340.515 2.857 20 30 EFEDRP C=C[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638985551 480925362 /nfs/dbraw/zinc/92/53/62/480925362.db2.gz KSJNNZDOLINOQM-INIZCTEOSA-N 2 0 336.439 2.790 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)C(C)C ZINC000667732714 481770431 /nfs/dbraw/zinc/77/04/31/481770431.db2.gz QAVGMFOWMZQUCX-GOSISDBHSA-N 2 0 330.476 2.965 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662678527 481930616 /nfs/dbraw/zinc/93/06/16/481930616.db2.gz GTQKZVBDFHHTGA-SJLPKXTDSA-N 2 0 335.517 2.946 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)C(C)C ZINC000662683399 481931576 /nfs/dbraw/zinc/93/15/76/481931576.db2.gz ZAWQXITXCIQTLR-FQEVSTJZSA-N 2 0 341.499 2.761 20 30 EFEDRP C=CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000661242511 482387568 /nfs/dbraw/zinc/38/75/68/482387568.db2.gz BLYYGOYZHJXGTG-SJORKVTESA-N 2 0 331.460 2.537 20 30 EFEDRP CCC[N@H+](CC)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181849195 521608513 /nfs/dbraw/zinc/60/85/13/521608513.db2.gz GGZPVZNJGHEWFV-UHFFFAOYSA-N 2 0 328.504 2.844 20 30 EFEDRP C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000181534857 524736255 /nfs/dbraw/zinc/73/62/55/524736255.db2.gz RTQQTARAIMTCOD-SFHVURJKSA-N 2 0 340.515 2.844 20 30 EFEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@@H](C)O1 ZINC000120611164 524936999 /nfs/dbraw/zinc/93/69/99/524936999.db2.gz GAJQIMQBMLOPAU-HUUCEWRRSA-N 2 0 333.501 2.941 20 30 EFEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170912501 528152602 /nfs/dbraw/zinc/15/26/02/528152602.db2.gz HYXDFKSLHMARCN-UHFFFAOYSA-N 2 0 341.459 2.729 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000181155559 528664810 /nfs/dbraw/zinc/66/48/10/528664810.db2.gz BEUPYTQVAVMCBO-YLJYHZDGSA-N 2 0 345.487 2.664 20 30 EFEDRP CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+](CC)CC ZINC000359598177 535400250 /nfs/dbraw/zinc/40/02/50/535400250.db2.gz UWJFMTREMFWYKE-IBGZPJMESA-N 2 0 344.503 2.569 20 30 EFEDRP C#CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000769207343 577344486 /nfs/dbraw/zinc/34/44/86/577344486.db2.gz SBBLLKPQTPAART-UHFFFAOYSA-N 2 0 342.483 2.633 20 30 EFEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001752211342 1249360303 /nfs/dbraw/zinc/36/03/03/1249360303.db2.gz ARUVDRNVRCCOLJ-GOSISDBHSA-N 2 0 327.488 2.603 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211695095 1249676482 /nfs/dbraw/zinc/67/64/82/1249676482.db2.gz KFEYZNMSDQOPBI-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001752707222 1250832408 /nfs/dbraw/zinc/83/24/08/1250832408.db2.gz MVHLMPHUSCNTDO-PMACEKPBSA-N 2 0 347.547 2.835 20 30 EFEDRP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000719925775 1251377111 /nfs/dbraw/zinc/37/71/11/1251377111.db2.gz PWVDWGJCFDYRDX-RBUKOAKNSA-N 2 0 342.487 2.521 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752813925 1251465590 /nfs/dbraw/zinc/46/55/90/1251465590.db2.gz BWDGZVQRFFZBKL-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089685868 1252171918 /nfs/dbraw/zinc/17/19/18/1252171918.db2.gz GEKZKTZHLXALLG-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689117 1252200666 /nfs/dbraw/zinc/20/06/66/1252200666.db2.gz AQZWLDKSDKPDIJ-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC=C)CC1 ZINC001089735904 1252342078 /nfs/dbraw/zinc/34/20/78/1252342078.db2.gz QMQPLNUCPMJTEF-LJQANCHMSA-N 2 0 345.531 2.515 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332459 1253180361 /nfs/dbraw/zinc/18/03/61/1253180361.db2.gz CGBABADETGRPFE-SJLPKXTDSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945333736 1253183235 /nfs/dbraw/zinc/18/32/35/1253183235.db2.gz KIFFWXULDXNFKB-RDJZCZTQSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583494 1254467029 /nfs/dbraw/zinc/46/70/29/1254467029.db2.gz SITRJKCIHLCDKI-MRXNPFEDSA-N 2 0 339.911 2.680 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001006231855 1265928105 /nfs/dbraw/zinc/92/81/05/1265928105.db2.gz DNFMWUHGEQAZLC-UHFFFAOYSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190643 1255065479 /nfs/dbraw/zinc/06/54/79/1255065479.db2.gz MJVXNZQFCYCQLC-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000996667845 1255689163 /nfs/dbraw/zinc/68/91/63/1255689163.db2.gz FHEILJAVQUYSAZ-QGZVFWFLSA-N 2 0 339.911 2.727 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC000996672297 1255720639 /nfs/dbraw/zinc/72/06/39/1255720639.db2.gz DLBXILPKCWABNT-QZTJIDSGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996676437 1255725559 /nfs/dbraw/zinc/72/55/59/1255725559.db2.gz NGSQGEYPMVZPIW-HZPDHXFCSA-N 2 0 341.927 2.686 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107409327 1255757864 /nfs/dbraw/zinc/75/78/64/1255757864.db2.gz QBFGXGUBRBPBAI-WIYYLYMNSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435817 1255811981 /nfs/dbraw/zinc/81/19/81/1255811981.db2.gz BHDCFGKXAFAHRT-SFHLNBCPSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107436154 1255812299 /nfs/dbraw/zinc/81/22/99/1255812299.db2.gz OGWAISOWCQCEJH-QKNQBKEWSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1)C1CCCC1 ZINC001098820236 1255817627 /nfs/dbraw/zinc/81/76/27/1255817627.db2.gz HBPKKRDGEUCTJG-ICSRJNTNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442610 1255832019 /nfs/dbraw/zinc/83/20/19/1255832019.db2.gz GMGKXYCTZGAQIQ-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485109 1255951818 /nfs/dbraw/zinc/95/18/18/1255951818.db2.gz KDEGPTRIBQAOFE-SFHLNBCPSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107533990 1256069867 /nfs/dbraw/zinc/06/98/67/1256069867.db2.gz QVSSYCFWAUNOHV-QWFCFKBJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546688 1256104721 /nfs/dbraw/zinc/10/47/21/1256104721.db2.gz LTDNOZCYZGSGQR-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609264 1256287527 /nfs/dbraw/zinc/28/75/27/1256287527.db2.gz LNLMIFLOIQTYTL-QWFCFKBJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3ccccc3)N(C)C)CCC[C@@H]12 ZINC001107646736 1256371639 /nfs/dbraw/zinc/37/16/39/1256371639.db2.gz TUFZQMUBOBRIQU-SVFBPWRDSA-N 2 0 341.499 2.836 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997140819 1257055106 /nfs/dbraw/zinc/05/51/06/1257055106.db2.gz WRTGUVIGHZWJCH-XLIONFOSSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406096 1257125978 /nfs/dbraw/zinc/12/59/78/1257125978.db2.gz VUBKLJULYYJYGU-WDSOQIARSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997344464 1257404014 /nfs/dbraw/zinc/40/40/14/1257404014.db2.gz CIZBCNWBPBBHPI-MRXNPFEDSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673923 1266116617 /nfs/dbraw/zinc/11/66/17/1266116617.db2.gz LZLBTGIXFWDSCN-MRXNPFEDSA-N 2 0 341.927 2.926 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CC=C(C)C)CC2)CC1 ZINC000997433465 1257578882 /nfs/dbraw/zinc/57/88/82/1257578882.db2.gz HNAOITJJTPVKDZ-GOSISDBHSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538872 1258267119 /nfs/dbraw/zinc/26/71/19/1258267119.db2.gz WOWABOIHWDFOOO-OALUTQOASA-N 2 0 341.499 2.656 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997747171 1258343076 /nfs/dbraw/zinc/34/30/76/1258343076.db2.gz FOFRGISLNHBCPU-KRWDZBQOSA-N 2 0 343.515 2.807 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005618 1258934955 /nfs/dbraw/zinc/93/49/55/1258934955.db2.gz QTCSENBYWXAFMT-OALUTQOASA-N 2 0 333.520 2.586 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006668 1258937938 /nfs/dbraw/zinc/93/79/38/1258937938.db2.gz LTTYMORXGRNPGH-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020289 1258971142 /nfs/dbraw/zinc/97/11/42/1258971142.db2.gz CDWQENZQGHARQI-PMACEKPBSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021702 1258974760 /nfs/dbraw/zinc/97/47/60/1258974760.db2.gz HBZPOMDEXLYVMM-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998090845 1259097216 /nfs/dbraw/zinc/09/72/16/1259097216.db2.gz BOAYRVNPUYPUPE-WOJBJXKFSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998098276 1259107336 /nfs/dbraw/zinc/10/73/36/1259107336.db2.gz OJWIVPWRFPADEL-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102191 1259113520 /nfs/dbraw/zinc/11/35/20/1259113520.db2.gz LHSDOIAUTDRSQJ-PMACEKPBSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998162030 1259175225 /nfs/dbraw/zinc/17/52/25/1259175225.db2.gz AFNZYPIIVAOCTO-LJQANCHMSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998176081 1259195697 /nfs/dbraw/zinc/19/56/97/1259195697.db2.gz HMZVFJBEFNQJET-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC000998842803 1260014921 /nfs/dbraw/zinc/01/49/21/1260014921.db2.gz CVGLIXYPCPPMPC-UHFFFAOYSA-N 2 0 341.908 2.755 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901549 1260072060 /nfs/dbraw/zinc/07/20/60/1260072060.db2.gz MXGKBFUCNUFUOI-PCKAHOCUSA-N 2 0 327.900 2.581 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999159378 1260266643 /nfs/dbraw/zinc/26/66/43/1260266643.db2.gz ADMJINWJSUZVOQ-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001112539998 1260402925 /nfs/dbraw/zinc/40/29/25/1260402925.db2.gz ALFACKMXCPVBJD-HBFSDRIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000999504320 1260693905 /nfs/dbraw/zinc/69/39/05/1260693905.db2.gz ZCGFBLJHSLXFFW-QQFBHYJXSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000999555015 1260732176 /nfs/dbraw/zinc/73/21/76/1260732176.db2.gz FWXMWXWKBOEHHX-OAHLLOKOSA-N 2 0 341.927 2.973 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023146 1261281954 /nfs/dbraw/zinc/28/19/54/1261281954.db2.gz UCUSUWXXMSURSM-IEBWSBKVSA-N 2 0 341.540 2.504 20 30 EFEDRP N#Cc1cc(F)ccc1N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923415463 1261629214 /nfs/dbraw/zinc/62/92/14/1261629214.db2.gz QCUQOQUYWQWZOO-QNBRMCRTSA-N 2 0 342.462 2.740 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902715 1261691108 /nfs/dbraw/zinc/69/11/08/1261691108.db2.gz WMSYODZVQGGGRK-QGFMHUBQSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078663956 1262148276 /nfs/dbraw/zinc/14/82/76/1262148276.db2.gz WUPDJSLQJTWKNI-MSOLQXFVSA-N 2 0 338.455 2.849 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670029 1262154717 /nfs/dbraw/zinc/15/47/17/1262154717.db2.gz CTRVUGJNRBUYMU-CVEARBPZSA-N 2 0 344.846 2.717 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078823547 1262410904 /nfs/dbraw/zinc/41/09/04/1262410904.db2.gz QDJOZSLRBCCSLB-ROUUACIJSA-N 2 0 345.487 2.938 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084600867 1264065511 /nfs/dbraw/zinc/06/55/11/1264065511.db2.gz IATXMYKFWXUEFH-NZSAHSFTSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853539 1264539652 /nfs/dbraw/zinc/53/96/52/1264539652.db2.gz XWNNQIPDFLXWJJ-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049705 1265030049 /nfs/dbraw/zinc/03/00/49/1265030049.db2.gz SXGZGXUBKSGCGL-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101204 1265143513 /nfs/dbraw/zinc/14/35/13/1265143513.db2.gz GIRCLOQTAWCABE-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101423 1265144651 /nfs/dbraw/zinc/14/46/51/1265144651.db2.gz JPESGIGNLRWORY-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083105 1266451297 /nfs/dbraw/zinc/45/12/97/1266451297.db2.gz XKTQBSCLZJWDKO-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592613 1266586910 /nfs/dbraw/zinc/58/69/10/1266586910.db2.gz SVBJJBWPAIMHQU-KDURUIRLSA-N 2 0 347.547 2.997 20 30 EFEDRP C[NH+]1CCN(C(=[NH2+])Nc2c(Cl)nc(Cl)c(C#N)c2Cl)CC1 ZINC001168735026 1266826916 /nfs/dbraw/zinc/82/69/16/1266826916.db2.gz GAOFFIZFBPEEAL-UHFFFAOYSA-N 2 0 347.637 2.508 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004444629 1267015957 /nfs/dbraw/zinc/01/59/57/1267015957.db2.gz YZULDHBJGJHRIZ-BHIYHBOVSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001085284646 1267018296 /nfs/dbraw/zinc/01/82/96/1267018296.db2.gz FSZJQKLASDWELG-BRWVUGGUSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004446164 1267021000 /nfs/dbraw/zinc/02/10/00/1267021000.db2.gz CUSPMZNPIHVAIN-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004448786 1267030956 /nfs/dbraw/zinc/03/09/56/1267030956.db2.gz FRALDRAZECBONO-RLLQIKCJSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456326 1267083713 /nfs/dbraw/zinc/08/37/13/1267083713.db2.gz DLUMMOMSMFJEKK-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004463429 1267088846 /nfs/dbraw/zinc/08/88/46/1267088846.db2.gz KCTWHRCAWFELPB-OALUTQOASA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004459431 1267098304 /nfs/dbraw/zinc/09/83/04/1267098304.db2.gz QQQHVWQDCTYVJZ-IBGZPJMESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004460536 1267100350 /nfs/dbraw/zinc/10/03/50/1267100350.db2.gz ZUDDLZZVYYIJOA-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004509845 1267207761 /nfs/dbraw/zinc/20/77/61/1267207761.db2.gz ZKSZFAGYMUCPIH-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623776 1267219364 /nfs/dbraw/zinc/21/93/64/1267219364.db2.gz QTWSGHVGZAQFJN-NSHGMRRFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004549421 1267275354 /nfs/dbraw/zinc/27/53/54/1267275354.db2.gz ZBOOISUMRKUSAW-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595430 1267361499 /nfs/dbraw/zinc/36/14/99/1267361499.db2.gz HCROAUGUCKDRQK-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595370 1267361993 /nfs/dbraw/zinc/36/19/93/1267361993.db2.gz GCHAAKCEKDNAHN-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148089 1267398130 /nfs/dbraw/zinc/39/81/30/1267398130.db2.gz BOICOQDJZVKPIT-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004619012 1267414487 /nfs/dbraw/zinc/41/44/87/1267414487.db2.gz ZEFQKASEAGJYGV-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619030 1267414790 /nfs/dbraw/zinc/41/47/90/1267414790.db2.gz JKQDJMFPMNEGTP-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642404 1267447998 /nfs/dbraw/zinc/44/79/98/1267447998.db2.gz IDTHSQATYLMXTQ-ZGXWSNOMSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642401 1267448388 /nfs/dbraw/zinc/44/83/88/1267448388.db2.gz IDTHSQATYLMXTQ-IYWMVGAKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657896 1267576867 /nfs/dbraw/zinc/57/68/67/1267576867.db2.gz XGZDGXRNAPUZFP-ZCNNSNEGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662805 1267625480 /nfs/dbraw/zinc/62/54/80/1267625480.db2.gz OZQNDFHTTFCEBA-HDICACEKSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100896 1267666064 /nfs/dbraw/zinc/66/60/64/1267666064.db2.gz IWCXQTJFYIMTSM-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CN1CCC2(CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100991 1267668321 /nfs/dbraw/zinc/66/83/21/1267668321.db2.gz KHLPGHNOAGBJJS-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710434 1267754422 /nfs/dbraw/zinc/75/44/22/1267754422.db2.gz NBPGHNZWYFKWPY-KDURUIRLSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085648697 1268133520 /nfs/dbraw/zinc/13/35/20/1268133520.db2.gz TYSOTOPSSRCATL-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781750 1268503280 /nfs/dbraw/zinc/50/32/80/1268503280.db2.gz DMZLFFZHHBKTQJ-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779097 1268505673 /nfs/dbraw/zinc/50/56/73/1268505673.db2.gz GHIRZRBQKFDUBO-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297587 1268687797 /nfs/dbraw/zinc/68/77/97/1268687797.db2.gz PKTIHLFUQCZSCX-GOSISDBHSA-N 2 0 329.488 2.513 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108221121 1269051024 /nfs/dbraw/zinc/05/10/24/1269051024.db2.gz UCUSUWXXMSURSM-HKUYNNGSSA-N 2 0 341.540 2.504 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684538 1269792431 /nfs/dbraw/zinc/79/24/31/1269792431.db2.gz LDQVKPGYUWCSSO-QGZVFWFLSA-N 2 0 335.879 2.647 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086106965 1269997890 /nfs/dbraw/zinc/99/78/90/1269997890.db2.gz GAZFDHMUWWDXRM-HLLBOEOZSA-N 2 0 339.911 2.630 20 30 EFEDRP COC(=O)C1(C)CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001168773130 1270138736 /nfs/dbraw/zinc/13/87/36/1270138736.db2.gz YPDKEOFERFGPDN-UHFFFAOYSA-N 2 0 331.460 2.775 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989961 1270783051 /nfs/dbraw/zinc/78/30/51/1270783051.db2.gz RIJXRBIHDCQQCH-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034015269 1270835165 /nfs/dbraw/zinc/83/51/65/1270835165.db2.gz HFBLLJNJWMENFK-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034044674 1270954486 /nfs/dbraw/zinc/95/44/86/1270954486.db2.gz CYGYIIGDQUOEED-LJQANCHMSA-N 2 0 347.547 2.691 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001752942209 1271218314 /nfs/dbraw/zinc/21/83/14/1271218314.db2.gz ZAZNNNTVTSWKIZ-MJGOQNOKSA-N 2 0 335.536 2.737 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210745 1271364399 /nfs/dbraw/zinc/36/43/99/1271364399.db2.gz JIYSHOITGAKHQO-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034250252 1271426686 /nfs/dbraw/zinc/42/66/86/1271426686.db2.gz RIVUKCLDSMNQOF-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329349 1271669527 /nfs/dbraw/zinc/66/95/27/1271669527.db2.gz GYBNGBZYJXYBCA-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332550 1271677709 /nfs/dbraw/zinc/67/77/09/1271677709.db2.gz ZRQQVCLTVFAHMR-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367695 1271755157 /nfs/dbraw/zinc/75/51/57/1271755157.db2.gz HEBKDIZFYAPZLJ-UYAOXDASSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406210 1271866320 /nfs/dbraw/zinc/86/63/20/1271866320.db2.gz YILHSFUYFCJOJO-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034480731 1272085676 /nfs/dbraw/zinc/08/56/76/1272085676.db2.gz NBSQIDIVVSPSJI-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001034672179 1272500617 /nfs/dbraw/zinc/50/06/17/1272500617.db2.gz OMLOCDMMIVMZMP-WKILWMFISA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001034698525 1272652825 /nfs/dbraw/zinc/65/28/25/1272652825.db2.gz NQNAHMHVGMOBGH-WGSAOQKQSA-N 2 0 343.515 2.997 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CCN(C1CC[NH+](CC)CC1)CC2 ZINC001169244270 1272767064 /nfs/dbraw/zinc/76/70/64/1272767064.db2.gz KRRVKOALMMEOLF-UHFFFAOYSA-N 2 0 349.519 2.971 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001034742199 1272779568 /nfs/dbraw/zinc/77/95/68/1272779568.db2.gz QBADFZUASZKVAN-WTGUMLROSA-N 2 0 341.499 2.535 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001034754316 1272831715 /nfs/dbraw/zinc/83/17/15/1272831715.db2.gz ZPAWUPUZXWCJPI-QAETUUGQSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001034776891 1272929519 /nfs/dbraw/zinc/92/95/19/1272929519.db2.gz KVWOYKZBTDXMNG-QAETUUGQSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(C)CN1CCC2(CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273137683 1273003629 /nfs/dbraw/zinc/00/36/29/1273003629.db2.gz VMCHYYNTMUXTHJ-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687701 1273361666 /nfs/dbraw/zinc/36/16/66/1273361666.db2.gz IAOIFZCTCTWRDT-KSZLIROESA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3nccn31)C2 ZINC001108728104 1273416513 /nfs/dbraw/zinc/41/65/13/1273416513.db2.gz YILPYFVGKJRGQI-BBWFWOEESA-N 2 0 338.455 2.883 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3nccn31)C2 ZINC001108728105 1273416792 /nfs/dbraw/zinc/41/67/92/1273416792.db2.gz YILPYFVGKJRGQI-ULQDDVLXSA-N 2 0 338.455 2.883 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001108798867 1273491733 /nfs/dbraw/zinc/49/17/33/1273491733.db2.gz IBSDQVVTSBKJBZ-ULQDDVLXSA-N 2 0 342.487 2.697 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086530279 1273736986 /nfs/dbraw/zinc/73/69/86/1273736986.db2.gz POCLEROIXJGBQB-BRWVUGGUSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197409 1273762749 /nfs/dbraw/zinc/76/27/49/1273762749.db2.gz MNMZYVAJDPSZIY-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199969 1273769569 /nfs/dbraw/zinc/76/95/69/1273769569.db2.gz SKAHNOYZTMHXDK-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035201268 1273771503 /nfs/dbraw/zinc/77/15/03/1273771503.db2.gz TVIFDPVNEKOJIQ-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035201097 1273772660 /nfs/dbraw/zinc/77/26/60/1273772660.db2.gz FJTUKQOXWXGOTG-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035193002 1273812083 /nfs/dbraw/zinc/81/20/83/1273812083.db2.gz SQYBENAGTWUSGL-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035195796 1273822305 /nfs/dbraw/zinc/82/23/05/1273822305.db2.gz KJJPYNBQDMCTEM-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215606 1273873832 /nfs/dbraw/zinc/87/38/32/1273873832.db2.gz JHZVPVCLLMNKTM-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233549 1273883892 /nfs/dbraw/zinc/88/38/92/1273883892.db2.gz IFQYHUVIARWGBA-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233507 1273884788 /nfs/dbraw/zinc/88/47/88/1273884788.db2.gz GAFWHDDDOPELEB-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233991 1273886585 /nfs/dbraw/zinc/88/65/85/1273886585.db2.gz RLONJEQMAUJAQQ-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236773 1273898391 /nfs/dbraw/zinc/89/83/91/1273898391.db2.gz CUBAFOZWDDWPBI-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035239117 1273904881 /nfs/dbraw/zinc/90/48/81/1273904881.db2.gz DDOBNKGFECWZMT-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035245304 1273918668 /nfs/dbraw/zinc/91/86/68/1273918668.db2.gz MEIWLWNPSOOTJA-UHFFFAOYSA-N 2 0 342.487 2.652 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cnc1C)CC2 ZINC001035249766 1273932098 /nfs/dbraw/zinc/93/20/98/1273932098.db2.gz CQXWMZVAUUREOZ-UHFFFAOYSA-N 2 0 330.476 2.541 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109405851 1274250290 /nfs/dbraw/zinc/25/02/90/1274250290.db2.gz DRRXPPMQNLBMBW-XWSJACJDSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035705132 1274382630 /nfs/dbraw/zinc/38/26/30/1274382630.db2.gz VHRUWMKAGUOFDE-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035718256 1274388559 /nfs/dbraw/zinc/38/85/59/1274388559.db2.gz AHFXHLFBBVWYTF-UHFFFAOYSA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035719805 1274404760 /nfs/dbraw/zinc/40/47/60/1274404760.db2.gz AYZSUOFODUJYOQ-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035725223 1274412687 /nfs/dbraw/zinc/41/26/87/1274412687.db2.gz JCTQNVUZFBUQDI-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035737102 1274428621 /nfs/dbraw/zinc/42/86/21/1274428621.db2.gz SVOUFHAKRDFUIL-UHFFFAOYSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035756106 1274440950 /nfs/dbraw/zinc/44/09/50/1274440950.db2.gz XNWDCWMJLHGOIM-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826971 1274519763 /nfs/dbraw/zinc/51/97/63/1274519763.db2.gz ZMCLXIFCFHMBHB-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035815127 1274548661 /nfs/dbraw/zinc/54/86/61/1274548661.db2.gz YPWGGSUZMSCEQT-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035834402 1274571046 /nfs/dbraw/zinc/57/10/46/1274571046.db2.gz HGAQOUNKXMAJCX-UHFFFAOYSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836110 1274573504 /nfs/dbraw/zinc/57/35/04/1274573504.db2.gz GHXUOJUQTYEMEH-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836878 1274574114 /nfs/dbraw/zinc/57/41/14/1274574114.db2.gz OPEPIHDETXJLSX-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837020 1274574261 /nfs/dbraw/zinc/57/42/61/1274574261.db2.gz FDXVTZASLWDZGN-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035856957 1274606499 /nfs/dbraw/zinc/60/64/99/1274606499.db2.gz GSMOJVJNOXQHNL-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035859690 1274612942 /nfs/dbraw/zinc/61/29/42/1274612942.db2.gz WSGMMRSPMTUFCX-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879927 1274760666 /nfs/dbraw/zinc/76/06/66/1274760666.db2.gz SDDKBGWGSVXDGN-RDGPPVDQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036093533 1275013561 /nfs/dbraw/zinc/01/35/61/1275013561.db2.gz LXCRLLULDRQLPZ-LRDDRELGSA-N 2 0 332.835 2.527 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547724 1275114063 /nfs/dbraw/zinc/11/40/63/1275114063.db2.gz MBDBQGFLZPYSCD-BJLQDIEVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548782 1275129550 /nfs/dbraw/zinc/12/95/50/1275129550.db2.gz RIOBRBZKPCKZDD-HBFSDRIKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563461 1275187628 /nfs/dbraw/zinc/18/76/28/1275187628.db2.gz WNBVQYDYTNLQRP-HBFSDRIKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564302 1275193132 /nfs/dbraw/zinc/19/31/32/1275193132.db2.gz NMVACNNWDGUMJN-JXFKEZNVSA-N 2 0 342.487 2.556 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585512 1275309838 /nfs/dbraw/zinc/30/98/38/1275309838.db2.gz BZRXMJPUJFYRHK-ZJOUEHCJSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586433 1275312357 /nfs/dbraw/zinc/31/23/57/1275312357.db2.gz YUMHJRGHEBBAEW-HBFSDRIKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001036302546 1275383700 /nfs/dbraw/zinc/38/37/00/1275383700.db2.gz JIJUAGIGOWBIFQ-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001036302550 1275384168 /nfs/dbraw/zinc/38/41/68/1275384168.db2.gz JIJUAGIGOWBIFQ-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001036304871 1275388383 /nfs/dbraw/zinc/38/83/83/1275388383.db2.gz RINWGCOXARFSHI-KDOFPFPSSA-N 2 0 349.906 2.941 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855134 1276111417 /nfs/dbraw/zinc/11/14/17/1276111417.db2.gz LTTYPTDYEVAMRC-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170878730 1276321610 /nfs/dbraw/zinc/32/16/10/1276321610.db2.gz QCMAOOPEXMOIOL-HRCADAONSA-N 2 0 329.916 2.734 20 30 EFEDRP C=CC[C@@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccncc1 ZINC000817893892 1276362678 /nfs/dbraw/zinc/36/26/78/1276362678.db2.gz HHVHRXNAPCGWNF-DOTOQJQBSA-N 2 0 331.460 2.610 20 30 EFEDRP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000817914953 1276375525 /nfs/dbraw/zinc/37/55/25/1276375525.db2.gz DMUFJDDAJHHSIS-NQIIRXRSSA-N 2 0 349.434 2.912 20 30 EFEDRP N#CCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919995 1276378525 /nfs/dbraw/zinc/37/85/25/1276378525.db2.gz YCLIZKMDQCXFNS-PZJWPPBQSA-N 2 0 349.434 2.934 20 30 EFEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000817934725 1276381656 /nfs/dbraw/zinc/38/16/56/1276381656.db2.gz BSTAESWQAFEDEA-INIZCTEOSA-N 2 0 337.895 2.764 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000818943075 1276554921 /nfs/dbraw/zinc/55/49/21/1276554921.db2.gz OXBDLVWIBYWNAF-OAQYLSRUSA-N 2 0 335.451 2.977 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013484 1276755055 /nfs/dbraw/zinc/75/50/55/1276755055.db2.gz NLYFONPWEJFYBF-RUYXUALKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859166 1276786100 /nfs/dbraw/zinc/78/61/00/1276786100.db2.gz MAOJQSTXZBIZFY-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174960178 1287268613 /nfs/dbraw/zinc/26/86/13/1287268613.db2.gz FGSSTZRKHVTZSM-CQSZACIVSA-N 2 0 348.329 2.501 20 30 EFEDRP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+](C)C ZINC001174962189 1287269698 /nfs/dbraw/zinc/26/96/98/1287269698.db2.gz QSDPXOYBLDJBAP-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005988435 1277304650 /nfs/dbraw/zinc/30/46/50/1277304650.db2.gz VQXBNMMNPDLGJW-IBGZPJMESA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113247840 1277372206 /nfs/dbraw/zinc/37/22/06/1277372206.db2.gz IKVQDNWVTQCSNL-IBGZPJMESA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113520306 1277992966 /nfs/dbraw/zinc/99/29/66/1277992966.db2.gz WSBSNDKAPVLJDK-KRWDZBQOSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001113536649 1278018387 /nfs/dbraw/zinc/01/83/87/1278018387.db2.gz YECAOLAAIPVLFW-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C(#CC[N@@H+]1CC[C@@H](c2ccccn2)C1)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000792880298 1279233457 /nfs/dbraw/zinc/23/34/57/1279233457.db2.gz CVDBTABBCGOWHA-BGYRXZFFSA-N 2 0 346.478 2.759 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265554 1287384966 /nfs/dbraw/zinc/38/49/66/1287384966.db2.gz ZTGLSNJGSNOYFR-GOSISDBHSA-N 2 0 343.515 2.692 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114287399 1280128812 /nfs/dbraw/zinc/12/88/12/1280128812.db2.gz KNKQAHOTZPZADA-WNRNVDISSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001206246485 1287405830 /nfs/dbraw/zinc/40/58/30/1287405830.db2.gz YUJGEORDGHGYBJ-MRXNPFEDSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958805 1287419357 /nfs/dbraw/zinc/41/93/57/1287419357.db2.gz GHQXKEKUOKYKEW-JKSUJKDBSA-N 2 0 341.459 2.720 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742888 1281260264 /nfs/dbraw/zinc/26/02/64/1281260264.db2.gz SIWDKEYPHDLIFO-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170784271 1287486091 /nfs/dbraw/zinc/48/60/91/1287486091.db2.gz HRYZUHVDNMWXCB-RBUKOAKNSA-N 2 0 347.547 2.929 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147841438 1281314830 /nfs/dbraw/zinc/31/48/30/1281314830.db2.gz LJCWIKMCTUTACH-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148291628 1281496332 /nfs/dbraw/zinc/49/63/32/1281496332.db2.gz ATGNRGDZXSQISO-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477110 1281568502 /nfs/dbraw/zinc/56/85/02/1281568502.db2.gz IQXWHRNBVIVWAT-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148524910 1281582390 /nfs/dbraw/zinc/58/23/90/1281582390.db2.gz VQOCBLHKDNKSQP-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839250 1281779862 /nfs/dbraw/zinc/77/98/62/1281779862.db2.gz ODWPWDHDZCGQAS-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785801 1287528568 /nfs/dbraw/zinc/52/85/68/1287528568.db2.gz OHGNQOOCVKFTPT-MOPGFXCFSA-N 2 0 347.547 2.929 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110189006 1287529146 /nfs/dbraw/zinc/52/91/46/1287529146.db2.gz ZTYJDPGRJJLNRH-QYZOEREBSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086920879 1281930446 /nfs/dbraw/zinc/93/04/46/1281930446.db2.gz AROSFBBVUOONQK-RTBURBONSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086920876 1281930572 /nfs/dbraw/zinc/93/05/72/1281930572.db2.gz AROSFBBVUOONQK-MOPGFXCFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941235 1281969610 /nfs/dbraw/zinc/96/96/10/1281969610.db2.gz NVMIHTZWXFJOJZ-GOSISDBHSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928150 1281989700 /nfs/dbraw/zinc/98/97/00/1281989700.db2.gz WPQXSODELVMYSK-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086933952 1282007584 /nfs/dbraw/zinc/00/75/84/1282007584.db2.gz BRLLMFXOQDATFD-HKUYNNGSSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001086951644 1282014616 /nfs/dbraw/zinc/01/46/16/1282014616.db2.gz LQKZLUZCLZZXFS-GOSISDBHSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086955970 1282024472 /nfs/dbraw/zinc/02/44/72/1282024472.db2.gz ARRDTTPPESDQIW-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957362 1282029149 /nfs/dbraw/zinc/02/91/49/1282029149.db2.gz KWECPGYOBALDSV-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086957981 1282030416 /nfs/dbraw/zinc/03/04/16/1282030416.db2.gz ABEWJRPIWDKTCE-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879782 1282211793 /nfs/dbraw/zinc/21/17/93/1282211793.db2.gz RRBVIAISBGVAOE-SBHAEUEKSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092158007 1282428064 /nfs/dbraw/zinc/42/80/64/1282428064.db2.gz ZKHDQMXVSBGOKH-CTNGQTDRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303139 1282549488 /nfs/dbraw/zinc/54/94/88/1282549488.db2.gz VAIMQSOXVIEDQH-DYXWJJEUSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874786 1287596871 /nfs/dbraw/zinc/59/68/71/1287596871.db2.gz WFMWVUDXJFJTLQ-INIZCTEOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102061 1287598880 /nfs/dbraw/zinc/59/88/80/1287598880.db2.gz WFUPSRCOMKQETR-IAGOWNOFSA-N 2 0 331.504 2.853 20 30 EFEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141144 1283066140 /nfs/dbraw/zinc/06/61/40/1283066140.db2.gz OKROYEDZMQPPRF-IRXDYDNUSA-N 2 0 333.520 2.632 20 30 EFEDRP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132142182 1283067407 /nfs/dbraw/zinc/06/74/07/1283067407.db2.gz YZCMTBSXYNTRRM-DLBZAZTESA-N 2 0 333.520 2.632 20 30 EFEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206092 1283155942 /nfs/dbraw/zinc/15/59/42/1283155942.db2.gz DQKLLJNYIZNZNI-ROUUACIJSA-N 2 0 333.520 2.633 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093025055 1283165354 /nfs/dbraw/zinc/16/53/54/1283165354.db2.gz OUVBPZJOHMKEFN-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093024636 1283165929 /nfs/dbraw/zinc/16/59/29/1283165929.db2.gz BLLKXJWMUOMFNQ-OIISXLGYSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036717701 1283223774 /nfs/dbraw/zinc/22/37/74/1283223774.db2.gz ZUOWSADULDYTPZ-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093093326 1283253327 /nfs/dbraw/zinc/25/33/27/1283253327.db2.gz BUGODKAPZVYJQR-RHSMWYFYSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243340 1283489916 /nfs/dbraw/zinc/48/99/16/1283489916.db2.gz GKCXKMFBJCUCAL-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419992 1283512799 /nfs/dbraw/zinc/51/27/99/1283512799.db2.gz LKISORJQMVJKLJ-RBUKOAKNSA-N 2 0 335.536 2.881 20 30 EFEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419991 1283514760 /nfs/dbraw/zinc/51/47/60/1283514760.db2.gz LKISORJQMVJKLJ-OALUTQOASA-N 2 0 335.536 2.881 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426215 1283552339 /nfs/dbraw/zinc/55/23/39/1283552339.db2.gz UCMYZEWWHBITEM-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773779 1283554738 /nfs/dbraw/zinc/55/47/38/1283554738.db2.gz SVIGVVUCPGVWQI-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC/C=C\CC)C2)CC1 ZINC001132518640 1283777518 /nfs/dbraw/zinc/77/75/18/1283777518.db2.gz MBUNGTBRALHSIV-CWHLKURSSA-N 2 0 345.531 2.657 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093371652 1283808417 /nfs/dbraw/zinc/80/84/17/1283808417.db2.gz AMFANZCPEAUADU-RTBURBONSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093371989 1283809192 /nfs/dbraw/zinc/80/91/92/1283809192.db2.gz XSOKUDBIYAYKFH-BHIYHBOVSA-N 2 0 345.531 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379675 1283840074 /nfs/dbraw/zinc/84/00/74/1283840074.db2.gz FYCLTMXLORKAEO-RBUKOAKNSA-N 2 0 347.547 2.996 20 30 EFEDRP C[C@H](C#N)OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062586 1284012747 /nfs/dbraw/zinc/01/27/47/1284012747.db2.gz ONIDTVNKKWDLCK-HOJAQTOUSA-N 2 0 327.472 2.902 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835065 1284148723 /nfs/dbraw/zinc/14/87/23/1284148723.db2.gz UDFMGQZUJYFGGP-ROUUACIJSA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836514 1284154154 /nfs/dbraw/zinc/15/41/54/1284154154.db2.gz RPOMQROQWGIIIN-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836513 1284155261 /nfs/dbraw/zinc/15/52/61/1284155261.db2.gz RPOMQROQWGIIIN-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132823662 1284334515 /nfs/dbraw/zinc/33/45/15/1284334515.db2.gz KBSDKZONBXTBBL-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859932 1284339750 /nfs/dbraw/zinc/33/97/50/1284339750.db2.gz XXRUINQCAOFYEP-OALUTQOASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086696379 1284440102 /nfs/dbraw/zinc/44/01/02/1284440102.db2.gz HLQZSTJUSMFWRS-RCCFBDPRSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867465 1284441050 /nfs/dbraw/zinc/44/10/50/1284441050.db2.gz VPLNLMONNDZTTJ-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112002 1287713964 /nfs/dbraw/zinc/71/39/64/1287713964.db2.gz LRBXLRFOANQLGO-RXVVDRJESA-N 2 0 343.515 2.751 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001176112604 1287714474 /nfs/dbraw/zinc/71/44/74/1287714474.db2.gz WTVFUCOMKCMENC-RBUKOAKNSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132932334 1284485244 /nfs/dbraw/zinc/48/52/44/1284485244.db2.gz ILMGWWOLIZGYJO-ROUUACIJSA-N 2 0 344.503 2.558 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132932648 1284485337 /nfs/dbraw/zinc/48/53/37/1284485337.db2.gz KOWNKXLUWVOPAK-ZFWWWQNUSA-N 2 0 329.916 2.543 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132942211 1284499264 /nfs/dbraw/zinc/49/92/64/1284499264.db2.gz YILKODKXYXJXFS-IAGOWNOFSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120218 1287717359 /nfs/dbraw/zinc/71/73/59/1287717359.db2.gz KZTXJVQANBHKOF-IEBWSBKVSA-N 2 0 329.488 2.577 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953552 1284534676 /nfs/dbraw/zinc/53/46/76/1284534676.db2.gz GIAVDMMTXDVZLY-WBVHZDCISA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132955668 1284537778 /nfs/dbraw/zinc/53/77/78/1284537778.db2.gz UFNAUJDTJPCISJ-FUHWJXTLSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132955536 1284538176 /nfs/dbraw/zinc/53/81/76/1284538176.db2.gz SVTBFPKRLWOMGL-DOTOQJQBSA-N 2 0 326.444 2.598 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133015100 1284623643 /nfs/dbraw/zinc/62/36/43/1284623643.db2.gz AIJMWLVFIVMDPN-RBUKOAKNSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133017045 1284626452 /nfs/dbraw/zinc/62/64/52/1284626452.db2.gz SMPUZGKUKMUZSR-MSOLQXFVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133063701 1284730026 /nfs/dbraw/zinc/73/00/26/1284730026.db2.gz GFPNBGBTLUJOQI-FUHWJXTLSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133065217 1284731234 /nfs/dbraw/zinc/73/12/34/1284731234.db2.gz VEIQGARVIJAEDB-WBVHZDCISA-N 2 0 333.476 2.605 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001133116915 1284821915 /nfs/dbraw/zinc/82/19/15/1284821915.db2.gz CWCIGTDNYQBVLP-PXNSSMCTSA-N 2 0 343.515 2.665 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185668 1284952593 /nfs/dbraw/zinc/95/25/93/1284952593.db2.gz HBFQPCBMEPYFDZ-OALUTQOASA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417193 1285043992 /nfs/dbraw/zinc/04/39/92/1285043992.db2.gz MEXFQBIWFPFBAU-QKNQBKEWSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133250086 1285054259 /nfs/dbraw/zinc/05/42/59/1285054259.db2.gz PNYYLGBEWBZNQA-XLIONFOSSA-N 2 0 347.547 2.759 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133237419 1285062598 /nfs/dbraw/zinc/06/25/98/1285062598.db2.gz CSOLVCMRVXVTLY-VQTJNVASSA-N 2 0 349.563 2.986 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133314196 1285196911 /nfs/dbraw/zinc/19/69/11/1285196911.db2.gz MGCRILQPUJQIPL-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333998 1285209854 /nfs/dbraw/zinc/20/98/54/1285209854.db2.gz PPGDHEOKRCQYJF-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133336818 1285214121 /nfs/dbraw/zinc/21/41/21/1285214121.db2.gz GBULPOXNAVAJRL-QFBILLFUSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337435 1285214899 /nfs/dbraw/zinc/21/48/99/1285214899.db2.gz NRPVLUMZGXGQSY-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001133355163 1285250229 /nfs/dbraw/zinc/25/02/29/1285250229.db2.gz VVLWFBFQONAEQF-IRXDYDNUSA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133358475 1285255185 /nfs/dbraw/zinc/25/51/85/1285255185.db2.gz ALGXNBKSUBZQIO-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001133398379 1285316019 /nfs/dbraw/zinc/31/60/19/1285316019.db2.gz SUEYVIWDLFEICG-GOSISDBHSA-N 2 0 349.906 2.784 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001133395932 1285340379 /nfs/dbraw/zinc/34/03/79/1285340379.db2.gz IZBNZHJAJONFKT-CRAIPNDOSA-N 2 0 349.906 2.784 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133404027 1285355435 /nfs/dbraw/zinc/35/54/35/1285355435.db2.gz VEQDLYZDFNIQFW-UHFFFAOYSA-N 2 0 337.895 2.786 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133405774 1285358805 /nfs/dbraw/zinc/35/88/05/1285358805.db2.gz POXKJBYFIPEKTD-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001133407825 1285368649 /nfs/dbraw/zinc/36/86/49/1285368649.db2.gz PDRRSVXVRRFGDZ-QGZVFWFLSA-N 2 0 349.906 2.786 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903102 1285385114 /nfs/dbraw/zinc/38/51/14/1285385114.db2.gz VOPCOCFVGGXIQZ-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585401 1285418587 /nfs/dbraw/zinc/41/85/87/1285418587.db2.gz VCHHUDSNZOLODV-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161478 1285500470 /nfs/dbraw/zinc/50/04/70/1285500470.db2.gz GVTRSEUASRHHPE-YDZRNGNQSA-N 2 0 333.520 2.795 20 30 EFEDRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001171509420 1285618158 /nfs/dbraw/zinc/61/81/58/1285618158.db2.gz PNADWIWKQZOTBQ-QFBILLFUSA-N 2 0 344.503 2.663 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001172300803 1286088429 /nfs/dbraw/zinc/08/84/29/1286088429.db2.gz ZZMKZJVSWCMTJK-QGZVFWFLSA-N 2 0 341.499 2.970 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001172298784 1286111804 /nfs/dbraw/zinc/11/18/04/1286111804.db2.gz FYELPDWKYARRDP-QGZVFWFLSA-N 2 0 334.467 2.920 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179133798 1289052477 /nfs/dbraw/zinc/05/24/77/1289052477.db2.gz AOWNLPFCFJYDOO-UHFFFAOYSA-N 2 0 335.536 2.788 20 30 EFEDRP C=CC[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179133792 1289053049 /nfs/dbraw/zinc/05/30/49/1289053049.db2.gz AJMDANNKDCYTAE-UHFFFAOYSA-N 2 0 331.504 2.857 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)CCCC#N)cc2)CC1 ZINC001172482702 1286144998 /nfs/dbraw/zinc/14/49/98/1286144998.db2.gz JMZFKZKWAPXBTH-GOSISDBHSA-N 2 0 328.504 2.996 20 30 EFEDRP C[C@H](CCCC#N)[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001172497642 1286172106 /nfs/dbraw/zinc/17/21/06/1286172106.db2.gz DSCAVCBROKEGRZ-QGZVFWFLSA-N 2 0 329.492 2.809 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086717187 1286332135 /nfs/dbraw/zinc/33/21/35/1286332135.db2.gz KXHRJQBFZZXKRL-SCTDSRPQSA-N 2 0 333.520 2.844 20 30 EFEDRP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968752 1286357964 /nfs/dbraw/zinc/35/79/64/1286357964.db2.gz SSSYNEVVAMOZDB-CVEARBPZSA-N 2 0 338.496 2.600 20 30 EFEDRP C[NH+](C)CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971113 1286361050 /nfs/dbraw/zinc/36/10/50/1286361050.db2.gz LZSADXCMPPOFQJ-CVEARBPZSA-N 2 0 338.496 2.600 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001095061309 1286471304 /nfs/dbraw/zinc/47/13/04/1286471304.db2.gz SZCAGYIGTQMMPW-WDSOQIARSA-N 2 0 327.472 2.517 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001095063244 1286473303 /nfs/dbraw/zinc/47/33/03/1286473303.db2.gz VRIPEVNWJNRSNC-WDSOQIARSA-N 2 0 341.499 2.907 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370249 1286642302 /nfs/dbraw/zinc/64/23/02/1286642302.db2.gz ZFRJWSIXWGYCQW-LSDHHAIUSA-N 2 0 329.916 2.876 20 30 EFEDRP CC1(C#N)CCC([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001173595747 1286709630 /nfs/dbraw/zinc/70/96/30/1286709630.db2.gz VKHHXAMFXAALMW-UHFFFAOYSA-N 2 0 341.503 2.809 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134787462 1287189335 /nfs/dbraw/zinc/18/93/35/1287189335.db2.gz KZOYQKMXMIFSED-HUUCEWRRSA-N 2 0 338.883 2.533 20 30 EFEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001135372813 1287978614 /nfs/dbraw/zinc/97/86/14/1287978614.db2.gz STEXOKIRLSNYND-JKSUJKDBSA-N 2 0 349.906 2.516 20 30 EFEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001135373891 1287980049 /nfs/dbraw/zinc/98/00/49/1287980049.db2.gz ZJLLTFGCDDNFTC-CVEARBPZSA-N 2 0 349.906 2.516 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC)CC1 ZINC001176737078 1288087776 /nfs/dbraw/zinc/08/77/76/1288087776.db2.gz HGPGDJDNPUBISL-MSOLQXFVSA-N 2 0 335.536 2.642 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086783606 1288392543 /nfs/dbraw/zinc/39/25/43/1288392543.db2.gz IFXZRPIQPMAQKJ-GVDBMIGSSA-N 2 0 341.927 2.735 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001177339450 1288398128 /nfs/dbraw/zinc/39/81/28/1288398128.db2.gz GSMGUGJKIVCPNG-FQEVSTJZSA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177342539 1288400205 /nfs/dbraw/zinc/40/02/05/1288400205.db2.gz OWSLJXSONIUCCB-FQEVSTJZSA-N 2 0 347.547 2.883 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001177455794 1288427263 /nfs/dbraw/zinc/42/72/63/1288427263.db2.gz ICIUGCISHRDFOV-UHFFFAOYSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177463054 1288429930 /nfs/dbraw/zinc/42/99/30/1288429930.db2.gz LVSRSMBJVBPGPW-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccccc1 ZINC001135960635 1288701238 /nfs/dbraw/zinc/70/12/38/1288701238.db2.gz FQEDLLNLUBNVCL-MOPGFXCFSA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612326 1288837500 /nfs/dbraw/zinc/83/75/00/1288837500.db2.gz UVOQIARRFRJIDR-KRWDZBQOSA-N 2 0 329.504 2.899 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001178612342 1288838035 /nfs/dbraw/zinc/83/80/35/1288838035.db2.gz WJUKPLKRUKLHSH-HNNXBMFYSA-N 2 0 335.895 2.685 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C\CC ZINC001178722849 1288867443 /nfs/dbraw/zinc/86/74/43/1288867443.db2.gz QSQXUPDYEMXCOF-VOFKWLDRSA-N 2 0 333.520 2.707 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178722829 1288867682 /nfs/dbraw/zinc/86/76/82/1288867682.db2.gz PWKGAMSQJRMBPT-FQEVSTJZSA-N 2 0 347.547 2.931 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729375 1288901063 /nfs/dbraw/zinc/90/10/63/1288901063.db2.gz VUVIFXKXQOBWCD-INIZCTEOSA-N 2 0 329.916 2.880 20 30 EFEDRP C=CCC[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178895185 1288963849 /nfs/dbraw/zinc/96/38/49/1288963849.db2.gz YQAQXEXHXUSZLI-UHFFFAOYSA-N 2 0 332.492 2.750 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908373 1288977097 /nfs/dbraw/zinc/97/70/97/1288977097.db2.gz OPMZLLWWIQSGFN-UHFFFAOYSA-N 2 0 326.444 2.546 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179538639 1289182160 /nfs/dbraw/zinc/18/21/60/1289182160.db2.gz FABATMGMMXVDBM-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP CC(C)OCC[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277657215 1312690160 /nfs/dbraw/zinc/69/01/60/1312690160.db2.gz FEPXWEWDMVGIIO-UHFFFAOYSA-N 2 0 344.503 2.610 20 30 EFEDRP C=CC[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179591601 1289193467 /nfs/dbraw/zinc/19/34/67/1289193467.db2.gz XLHRPDOBDOVWKN-UHFFFAOYSA-N 2 0 331.504 2.857 20 30 EFEDRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001179609702 1289198243 /nfs/dbraw/zinc/19/82/43/1289198243.db2.gz YFZLKXQWCGSIEA-IBGZPJMESA-N 2 0 344.503 2.665 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179831323 1289278569 /nfs/dbraw/zinc/27/85/69/1289278569.db2.gz ADBRXWKRJDILOR-UHFFFAOYSA-N 2 0 329.488 2.651 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001180039709 1289392929 /nfs/dbraw/zinc/39/29/29/1289392929.db2.gz IEBHVZPSEHYGEH-NRFANRHFSA-N 2 0 343.515 2.753 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180076849 1289407844 /nfs/dbraw/zinc/40/78/44/1289407844.db2.gz JWXNBQDLZCAGBI-UHFFFAOYSA-N 2 0 338.883 2.780 20 30 EFEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001180257447 1289466401 /nfs/dbraw/zinc/46/64/01/1289466401.db2.gz QDOKZOCLJRLMKN-RDJZCZTQSA-N 2 0 333.476 2.890 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CC(C)C2)CC1 ZINC001180360308 1289495381 /nfs/dbraw/zinc/49/53/81/1289495381.db2.gz CGZOSQWHGSPCCW-UHFFFAOYSA-N 2 0 347.547 2.644 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001180372588 1289515780 /nfs/dbraw/zinc/51/57/80/1289515780.db2.gz DABZQGCVCINJJU-IBGZPJMESA-N 2 0 335.536 2.786 20 30 EFEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CN(C)Cc1ccccc1 ZINC001180452080 1289538984 /nfs/dbraw/zinc/53/89/84/1289538984.db2.gz LMIQLBKOQZNPMJ-UHFFFAOYSA-N 2 0 331.504 2.961 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171061068 1289736142 /nfs/dbraw/zinc/73/61/42/1289736142.db2.gz QCEXPQNOJIUHDK-GJZGRUSLSA-N 2 0 335.895 2.683 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467740 1289799021 /nfs/dbraw/zinc/79/90/21/1289799021.db2.gz DHLWRDMATNLHET-DBXWQHBBSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181440336 1289806751 /nfs/dbraw/zinc/80/67/51/1289806751.db2.gz DHYGZRZHUXPHRG-UWWQBHOKSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001181951818 1290012308 /nfs/dbraw/zinc/01/23/08/1290012308.db2.gz KHFSYRGDKRLHIK-YLJYHZDGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001182301104 1290156558 /nfs/dbraw/zinc/15/65/58/1290156558.db2.gz QYBNAFKGIRWMSI-FTEYMNFISA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182368247 1290180738 /nfs/dbraw/zinc/18/07/38/1290180738.db2.gz FSNNWKAPJMJDCO-GRZALLJUSA-N 2 0 341.927 2.543 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001166389311 1312769802 /nfs/dbraw/zinc/76/98/02/1312769802.db2.gz DNZISVIJTWPXLG-UHFFFAOYSA-N 2 0 333.520 2.540 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001183433190 1290346340 /nfs/dbraw/zinc/34/63/40/1290346340.db2.gz QWHWIASRNDPARU-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001183562448 1290362704 /nfs/dbraw/zinc/36/27/04/1290362704.db2.gz JITDDTBZEUTMIZ-OXQOHEQNSA-N 2 0 347.503 2.995 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001184497651 1290462459 /nfs/dbraw/zinc/46/24/59/1290462459.db2.gz MFZUNJVOZJNOLW-JKSUJKDBSA-N 2 0 347.528 2.521 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184683274 1290499133 /nfs/dbraw/zinc/49/91/33/1290499133.db2.gz HFGUTACCTOIIMX-QZTJIDSGSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184724736 1290503862 /nfs/dbraw/zinc/50/38/62/1290503862.db2.gz OVNKPEIVFJIJFU-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184882862 1290535737 /nfs/dbraw/zinc/53/57/37/1290535737.db2.gz OOYHIIVAWKBXMT-RBUKOAKNSA-N 2 0 347.547 2.596 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892103 1290538998 /nfs/dbraw/zinc/53/89/98/1290538998.db2.gz MYVOJIQUXKQHIP-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184893240 1290539866 /nfs/dbraw/zinc/53/98/66/1290539866.db2.gz VLBVGQCEZBBAIO-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185053300 1290576451 /nfs/dbraw/zinc/57/64/51/1290576451.db2.gz SBIYIFLKVJAFKQ-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185087349 1290583080 /nfs/dbraw/zinc/58/30/80/1290583080.db2.gz YHMQOBBQXFUFNS-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261362 1290627773 /nfs/dbraw/zinc/62/77/73/1290627773.db2.gz UAHPSKHVFDGAQB-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185360968 1290650840 /nfs/dbraw/zinc/65/08/40/1290650840.db2.gz RHRNADYIPIROJC-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185360967 1290650911 /nfs/dbraw/zinc/65/09/11/1290650911.db2.gz RHRNADYIPIROJC-RBUKOAKNSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185381831 1290663228 /nfs/dbraw/zinc/66/32/28/1290663228.db2.gz SIIVUKMOSMZVKA-RBUKOAKNSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185410555 1290682070 /nfs/dbraw/zinc/68/20/70/1290682070.db2.gz DAYMATVSDDSDJB-HKUYNNGSSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185501870 1290693877 /nfs/dbraw/zinc/69/38/77/1290693877.db2.gz JISUQWFYPUNZOD-OALUTQOASA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185514829 1290695133 /nfs/dbraw/zinc/69/51/33/1290695133.db2.gz BEIORSABCOPFER-IAGOWNOFSA-N 2 0 344.503 2.802 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185708792 1290757057 /nfs/dbraw/zinc/75/70/57/1290757057.db2.gz DEMSYZQYRKTARU-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185749734 1290762660 /nfs/dbraw/zinc/76/26/60/1290762660.db2.gz DYFIBBJBERLMBS-IRXDYDNUSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687790 1312820495 /nfs/dbraw/zinc/82/04/95/1312820495.db2.gz ZXKQSTPGDWHWSO-MAUKXSAKSA-N 2 0 327.488 2.650 20 30 EFEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)CC1 ZINC001186604569 1290999255 /nfs/dbraw/zinc/99/92/55/1290999255.db2.gz FJNMCDNCFMDAIQ-LJQANCHMSA-N 2 0 347.547 2.692 20 30 EFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]CC)N2CCSC(C)(C)C2)C1 ZINC000126133108 1291002547 /nfs/dbraw/zinc/00/25/47/1291002547.db2.gz FJYMZMYEXVBDAJ-OAHLLOKOSA-N 2 0 326.554 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203232859 1291040099 /nfs/dbraw/zinc/04/00/99/1291040099.db2.gz XVGQZFWOWUZQGZ-MSOLQXFVSA-N 2 0 333.520 2.844 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000249114950 1291308811 /nfs/dbraw/zinc/30/88/11/1291308811.db2.gz DLWKNWGDWDHRDG-LSDHHAIUSA-N 2 0 342.409 2.721 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312564 1291669619 /nfs/dbraw/zinc/66/96/19/1291669619.db2.gz VQMMAHIMAZMKJA-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317234 1291670763 /nfs/dbraw/zinc/67/07/63/1291670763.db2.gz KWTGPLMFECKOPS-YTQUADARSA-N 2 0 333.520 2.606 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957555868 1291758984 /nfs/dbraw/zinc/75/89/84/1291758984.db2.gz PXLFSTZJWGWGRQ-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957559656 1291764951 /nfs/dbraw/zinc/76/49/51/1291764951.db2.gz NTLXLPOOCGRFAV-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559352 1291765567 /nfs/dbraw/zinc/76/55/67/1291765567.db2.gz GKPOBWZJWSUWJW-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC000957568586 1291780581 /nfs/dbraw/zinc/78/05/81/1291780581.db2.gz LXINEQHAOUVJJA-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611745 1312880982 /nfs/dbraw/zinc/88/09/82/1312880982.db2.gz FSRBFKLECKKBRD-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779465 1312881609 /nfs/dbraw/zinc/88/16/09/1312881609.db2.gz HXEMUGFDJYIVOT-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779890 1312882125 /nfs/dbraw/zinc/88/21/25/1312882125.db2.gz VJHYZHNZUNFITJ-AZUAARDMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957603771 1291857422 /nfs/dbraw/zinc/85/74/22/1291857422.db2.gz YHOZELAOIOFBKA-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605445 1291860634 /nfs/dbraw/zinc/86/06/34/1291860634.db2.gz CCRYAHPHTZZQEH-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000957617508 1291890695 /nfs/dbraw/zinc/89/06/95/1291890695.db2.gz OPIBVXXTUBNPJM-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623779 1312887305 /nfs/dbraw/zinc/88/73/05/1312887305.db2.gz GJEVNVXWJXYUTD-MJGOQNOKSA-N 2 0 345.531 2.798 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000957617509 1291891667 /nfs/dbraw/zinc/89/16/67/1291891667.db2.gz OPIBVXXTUBNPJM-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016630945 1312891249 /nfs/dbraw/zinc/89/12/49/1312891249.db2.gz LRFGDLQFIMMQON-KSZLIROESA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261052 1292087114 /nfs/dbraw/zinc/08/71/14/1292087114.db2.gz ZALAYPIHSLIVIJ-FUHWJXTLSA-N 2 0 344.503 2.649 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261054 1292088221 /nfs/dbraw/zinc/08/82/21/1292088221.db2.gz ZALAYPIHSLIVIJ-SJLPKXTDSA-N 2 0 344.503 2.649 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261050 1292088445 /nfs/dbraw/zinc/08/84/45/1292088445.db2.gz ZALAYPIHSLIVIJ-AEFFLSMTSA-N 2 0 344.503 2.649 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475743 1312903461 /nfs/dbraw/zinc/90/34/61/1312903461.db2.gz ARHOODDAGLKMOS-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654652 1312906508 /nfs/dbraw/zinc/90/65/08/1312906508.db2.gz IQCICFFQGUQYIQ-MSOLQXFVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654655 1312906775 /nfs/dbraw/zinc/90/67/75/1312906775.db2.gz IQCICFFQGUQYIQ-ZWKOTPCHSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016655105 1312907112 /nfs/dbraw/zinc/90/71/12/1312907112.db2.gz MTZFJHRVQDRWBV-RBUKOAKNSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663380 1312911784 /nfs/dbraw/zinc/91/17/84/1312911784.db2.gz QGCRKQKQIWVPOH-RBUKOAKNSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652824 1292265927 /nfs/dbraw/zinc/26/59/27/1292265927.db2.gz BEPHLGAHVWBTAG-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417869 1312920520 /nfs/dbraw/zinc/92/05/20/1312920520.db2.gz DGEQJIXMJZEZMK-IRXDYDNUSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428330 1312922362 /nfs/dbraw/zinc/92/23/62/1312922362.db2.gz XXVGGYHKVAJPGE-SJORKVTESA-N 2 0 335.536 2.948 20 30 EFEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001191010393 1292423799 /nfs/dbraw/zinc/42/37/99/1292423799.db2.gz LRCLUDHOXGNXEY-HKUYNNGSSA-N 2 0 346.519 2.949 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145387 1292492191 /nfs/dbraw/zinc/49/21/91/1292492191.db2.gz UMLCYJLZGGWYGX-GOSISDBHSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701922 1312934416 /nfs/dbraw/zinc/93/44/16/1312934416.db2.gz GLYAUBMWEHIZDM-ROUUACIJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515032 1292555309 /nfs/dbraw/zinc/55/53/09/1292555309.db2.gz KAZGNIGFLZYVJX-SFHVURJKSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515031 1292555594 /nfs/dbraw/zinc/55/55/94/1292555594.db2.gz KAZGNIGFLZYVJX-GOSISDBHSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947266 1292724822 /nfs/dbraw/zinc/72/48/22/1292724822.db2.gz HSNDFTUASKQPLQ-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095903889 1292923710 /nfs/dbraw/zinc/92/37/10/1292923710.db2.gz QFYHABJYBQYZAN-YRXWBPOGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525825 1312966948 /nfs/dbraw/zinc/96/69/48/1312966948.db2.gz RFXYAEWJIBWANI-OTWHNJEPSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049536435 1312979145 /nfs/dbraw/zinc/97/91/45/1312979145.db2.gz NQJJVIBJMQXIIR-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049536433 1312979377 /nfs/dbraw/zinc/97/93/77/1312979377.db2.gz NQJJVIBJMQXIIR-GBESFXJTSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788751 1312981039 /nfs/dbraw/zinc/98/10/39/1312981039.db2.gz CNFFQSXIDDINJW-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383241 1293284369 /nfs/dbraw/zinc/28/43/69/1293284369.db2.gz RAFTYHVKJDOQRB-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383303 1293284544 /nfs/dbraw/zinc/28/45/44/1293284544.db2.gz RTVMCWYUSIRQAB-XLIONFOSSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544887 1312991571 /nfs/dbraw/zinc/99/15/71/1312991571.db2.gz HGIPGWLWPFJRNA-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423921 1293302615 /nfs/dbraw/zinc/30/26/15/1293302615.db2.gz HSLKSLSMWHBLRS-OALUTQOASA-N 2 0 329.488 2.788 20 30 EFEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193425122 1293304852 /nfs/dbraw/zinc/30/48/52/1293304852.db2.gz SWAYNFXKPCSEKA-OALUTQOASA-N 2 0 329.488 2.788 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001203740078 1313003723 /nfs/dbraw/zinc/00/37/23/1313003723.db2.gz OFHOOHOROICJEO-UHFFFAOYSA-N 2 0 327.900 2.586 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742404 1313004385 /nfs/dbraw/zinc/00/43/85/1313004385.db2.gz NEIYDIHELPKXRU-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742406 1313004389 /nfs/dbraw/zinc/00/43/89/1313004389.db2.gz NEIYDIHELPKXRU-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275081 1293562509 /nfs/dbraw/zinc/56/25/09/1293562509.db2.gz NTIONNQZBGVSRP-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203773352 1313011360 /nfs/dbraw/zinc/01/13/60/1313011360.db2.gz VWDLZJOBQQIVOF-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203771804 1313011398 /nfs/dbraw/zinc/01/13/98/1313011398.db2.gz PAXZYIFJLTZBRO-MOPGFXCFSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862000 1313015880 /nfs/dbraw/zinc/01/58/80/1313015880.db2.gz RLOWQKUMUXIXOY-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016862946 1313016575 /nfs/dbraw/zinc/01/65/75/1313016575.db2.gz LVULKGDDFVTCSS-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563106 1313019003 /nfs/dbraw/zinc/01/90/03/1313019003.db2.gz CDVCYZVNUOAGCE-RBUKOAKNSA-N 2 0 345.531 2.728 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823009 1313024748 /nfs/dbraw/zinc/02/47/48/1313024748.db2.gz DLPWYIVSKWTZDS-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571772 1313034047 /nfs/dbraw/zinc/03/40/47/1313034047.db2.gz GXTBSOCALDYMHB-MOPGFXCFSA-N 2 0 338.455 2.979 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924773 1313044574 /nfs/dbraw/zinc/04/45/74/1313044574.db2.gz YWNWLJBXYAZZAT-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016931778 1313048085 /nfs/dbraw/zinc/04/80/85/1313048085.db2.gz WCLMVJDVZUHZRK-SFHVURJKSA-N 2 0 342.487 2.698 20 30 EFEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196162828 1294153778 /nfs/dbraw/zinc/15/37/78/1294153778.db2.gz BBHNBEJNVKNICQ-LJQANCHMSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(Cl)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589689 1313058569 /nfs/dbraw/zinc/05/85/69/1313058569.db2.gz AWCPEWUGSPXKSJ-DLBZAZTESA-N 2 0 344.846 2.766 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196388618 1294220926 /nfs/dbraw/zinc/22/09/26/1294220926.db2.gz QPRLTTWABAHRBB-UHFFFAOYSA-N 2 0 326.444 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016985949 1313072829 /nfs/dbraw/zinc/07/28/29/1313072829.db2.gz NFEDLFOIRMYEJF-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000303774867 1294577279 /nfs/dbraw/zinc/57/72/79/1294577279.db2.gz GGPLLHQVDBPJGE-ROUUACIJSA-N 2 0 331.508 2.512 20 30 EFEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCC1 ZINC000303778395 1294580194 /nfs/dbraw/zinc/58/01/94/1294580194.db2.gz JSPIOSHQTJLDMK-INIZCTEOSA-N 2 0 346.475 2.695 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303783213 1294581808 /nfs/dbraw/zinc/58/18/08/1294581808.db2.gz OADFPOFEPXSCNN-CQSZACIVSA-N 2 0 334.464 2.695 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000303867119 1294591833 /nfs/dbraw/zinc/59/18/33/1294591833.db2.gz CPOYAYYPUGMVLS-AWEZNQCLSA-N 2 0 334.464 2.552 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000303873619 1294592901 /nfs/dbraw/zinc/59/29/01/1294592901.db2.gz CPVWJBKXYCOCBI-KRWDZBQOSA-N 2 0 345.535 2.954 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303881936 1294598331 /nfs/dbraw/zinc/59/83/31/1294598331.db2.gz HYBQWMZISHJDAB-KBPBESRZSA-N 2 0 334.464 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000303885111 1294598501 /nfs/dbraw/zinc/59/85/01/1294598501.db2.gz MZBHTBRPRCNSPA-KRWDZBQOSA-N 2 0 332.492 2.610 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000303895361 1294599205 /nfs/dbraw/zinc/59/92/05/1294599205.db2.gz PJPUZWRJQDIRMG-HUUCEWRRSA-N 2 0 348.491 2.798 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000303893754 1294599630 /nfs/dbraw/zinc/59/96/30/1294599630.db2.gz OKQRFOCDYGNSDC-QGZVFWFLSA-N 2 0 346.519 2.749 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000303893012 1294600104 /nfs/dbraw/zinc/60/01/04/1294600104.db2.gz NZHDDPJUCHFZMF-UONOGXRCSA-N 2 0 334.464 2.693 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC000303898717 1294600648 /nfs/dbraw/zinc/60/06/48/1294600648.db2.gz VQOYFMBXCIMDSS-LIRRHRJNSA-N 2 0 348.491 2.941 20 30 EFEDRP CCCCOc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000303902335 1294601466 /nfs/dbraw/zinc/60/14/66/1294601466.db2.gz TVVYQJINEIAGTJ-GOSISDBHSA-N 2 0 346.519 2.797 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303906792 1294601616 /nfs/dbraw/zinc/60/16/16/1294601616.db2.gz WJURASKMDQNNMD-UHFFFAOYSA-N 2 0 345.535 2.566 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000303990561 1294616071 /nfs/dbraw/zinc/61/60/71/1294616071.db2.gz YVKRZRFLKTWLAU-CYBMUJFWSA-N 2 0 334.464 2.693 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615347 1313089153 /nfs/dbraw/zinc/08/91/53/1313089153.db2.gz JEFBECOAAQJPAU-GUDVDZBRSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615348 1313089277 /nfs/dbraw/zinc/08/92/77/1313089277.db2.gz JEFBECOAAQJPAU-IPMKNSEASA-N 2 0 331.504 2.502 20 30 EFEDRP CC[C@@H](C)NC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304012328 1294631701 /nfs/dbraw/zinc/63/17/01/1294631701.db2.gz HGAKNEJMSOWVQA-CVEARBPZSA-N 2 0 332.492 2.589 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312639 1294755370 /nfs/dbraw/zinc/75/53/70/1294755370.db2.gz SXUQGLQOFLEZQY-HZPDHXFCSA-N 2 0 331.460 2.548 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345897 1313109091 /nfs/dbraw/zinc/10/90/91/1313109091.db2.gz NRXZZJPHKRLPEE-MOPGFXCFSA-N 2 0 335.536 2.831 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCCCC=C)CC2)CC1 ZINC001198236636 1294948805 /nfs/dbraw/zinc/94/88/05/1294948805.db2.gz QFLNRSMJBWEWRF-UHFFFAOYSA-N 2 0 345.531 2.612 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258958 1294960114 /nfs/dbraw/zinc/96/01/14/1294960114.db2.gz HCUNQHUFCVPKTJ-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617645 1295144691 /nfs/dbraw/zinc/14/46/91/1295144691.db2.gz PRLMEBJQTUSACJ-ZWKOTPCHSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766750 1295240617 /nfs/dbraw/zinc/24/06/17/1295240617.db2.gz HCDPDSWMPWSETQ-MJGOQNOKSA-N 2 0 347.503 2.604 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198864529 1295276682 /nfs/dbraw/zinc/27/66/82/1295276682.db2.gz BKZZCBQKKZAHNO-GOSISDBHSA-N 2 0 347.503 2.750 20 30 EFEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000887134156 1295288126 /nfs/dbraw/zinc/28/81/26/1295288126.db2.gz DCMIIKXERQWSOB-QGZVFWFLSA-N 2 0 328.460 2.693 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198902860 1295303560 /nfs/dbraw/zinc/30/35/60/1295303560.db2.gz QWCKFDSFBWVYON-FUHWJXTLSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865452 1295306326 /nfs/dbraw/zinc/30/63/26/1295306326.db2.gz KXFKRCCEACTKGE-SFHVURJKSA-N 2 0 347.503 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049669865 1313161544 /nfs/dbraw/zinc/16/15/44/1313161544.db2.gz BHBZRWMVHPLTAP-OKYOBFRVSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049669864 1313161673 /nfs/dbraw/zinc/16/16/73/1313161673.db2.gz BHBZRWMVHPLTAP-INDMIFKZSA-N 2 0 333.520 2.748 20 30 EFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304484576 1295662180 /nfs/dbraw/zinc/66/21/80/1295662180.db2.gz KVHJVRVKCLEMMB-NUJGCVRESA-N 2 0 344.503 2.783 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000104181365 1295733137 /nfs/dbraw/zinc/73/31/37/1295733137.db2.gz NIYDDEDBPPKFQJ-AWEZNQCLSA-N 2 0 334.464 2.551 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304751415 1295748779 /nfs/dbraw/zinc/74/87/79/1295748779.db2.gz JFBTVDJKYKYZOB-QGZVFWFLSA-N 2 0 346.519 2.837 20 30 EFEDRP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1cccc(C)c1 ZINC000304759202 1295750947 /nfs/dbraw/zinc/75/09/47/1295750947.db2.gz QXYRMOLYPOXVEY-IRXDYDNUSA-N 2 0 332.492 2.541 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(Cl)c2)CC1 ZINC000304754092 1295751209 /nfs/dbraw/zinc/75/12/09/1295751209.db2.gz LOUYYHRHBCWTAK-INIZCTEOSA-N 2 0 334.895 2.760 20 30 EFEDRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000304795983 1295757005 /nfs/dbraw/zinc/75/70/05/1295757005.db2.gz VUHGJMKARQZEKQ-UHFFFAOYSA-N 2 0 330.520 2.892 20 30 EFEDRP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C12CCCCC2 ZINC000304805969 1295761051 /nfs/dbraw/zinc/76/10/51/1295761051.db2.gz RSTXQOBAWYGTNO-IXDOHACOSA-N 2 0 336.524 2.503 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CCC3CC[NH2+]CC3)CC2)C1 ZINC001204847460 1313202565 /nfs/dbraw/zinc/20/25/65/1313202565.db2.gz BGUFVRLCTKBGOX-UHFFFAOYSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC001204848556 1313202623 /nfs/dbraw/zinc/20/26/23/1313202623.db2.gz NGSUGTCHYXHPDG-SFHVURJKSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717936 1313220016 /nfs/dbraw/zinc/22/00/16/1313220016.db2.gz HQKJUKSDZGIJBY-WOJBJXKFSA-N 2 0 341.499 2.656 20 30 EFEDRP CCSCC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277914530 1313231102 /nfs/dbraw/zinc/23/11/02/1313231102.db2.gz VYKQTJMJLWOLSH-UHFFFAOYSA-N 2 0 332.517 2.548 20 30 EFEDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205239729 1313257268 /nfs/dbraw/zinc/25/72/68/1313257268.db2.gz DBQQNWUJMXLMFZ-JOCHJYFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001205285602 1313265322 /nfs/dbraw/zinc/26/53/22/1313265322.db2.gz YVFBZSSLWSMGPH-UHFFFAOYSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205291520 1313265476 /nfs/dbraw/zinc/26/54/76/1313265476.db2.gz WZRPSUSQXADSMV-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205315028 1313268785 /nfs/dbraw/zinc/26/87/85/1313268785.db2.gz YIYPGSNERBMMBM-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205315026 1313268903 /nfs/dbraw/zinc/26/89/03/1313268903.db2.gz YIYPGSNERBMMBM-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325929 1313270185 /nfs/dbraw/zinc/27/01/85/1313270185.db2.gz JBGSOBKOWPMDDM-RBUKOAKNSA-N 2 0 347.478 2.626 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043579 1296558750 /nfs/dbraw/zinc/55/87/50/1296558750.db2.gz DSDRLGIBFRGKOE-QZTJIDSGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCCCCCN1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001276041712 1296580372 /nfs/dbraw/zinc/58/03/72/1296580372.db2.gz OJZRYMCVNWVHIH-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767105 1313277274 /nfs/dbraw/zinc/27/72/74/1313277274.db2.gz NNVXLKFUZKMTCF-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768698 1313279298 /nfs/dbraw/zinc/27/92/98/1313279298.db2.gz YQMAGFLXRPOMED-GBESFXJTSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415967 1313284769 /nfs/dbraw/zinc/28/47/69/1313284769.db2.gz RWSLBPJJSCJDCN-SJLPKXTDSA-N 2 0 341.515 2.849 20 30 EFEDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1CC#N)C2 ZINC001276242347 1296672617 /nfs/dbraw/zinc/67/26/17/1296672617.db2.gz KHMRCVYOMPIWMG-OAQYLSRUSA-N 2 0 340.515 2.602 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960279970 1296695500 /nfs/dbraw/zinc/69/55/00/1296695500.db2.gz IQSJJSMRDRJAEH-WOJBJXKFSA-N 2 0 346.434 2.896 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461308 1313293521 /nfs/dbraw/zinc/29/35/21/1313293521.db2.gz HBXAHEGPSHTSJS-IBGZPJMESA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000960297817 1296715191 /nfs/dbraw/zinc/71/51/91/1296715191.db2.gz XVSHVIAMXVCVQR-RTBURBONSA-N 2 0 341.499 2.809 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001201337304 1296749187 /nfs/dbraw/zinc/74/91/87/1296749187.db2.gz PCMXQQPMFSRSHR-QGZVFWFLSA-N 2 0 344.503 2.773 20 30 EFEDRP C[C@H]1CCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776163139 1296766568 /nfs/dbraw/zinc/76/65/68/1296766568.db2.gz PORJCTUFDCPTAM-KRWDZBQOSA-N 2 0 326.488 2.597 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201411037 1296783809 /nfs/dbraw/zinc/78/38/09/1296783809.db2.gz NDOPRWBAWIIGRS-MSOLQXFVSA-N 2 0 341.540 2.504 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518772 1313303499 /nfs/dbraw/zinc/30/34/99/1313303499.db2.gz KNYDOGSXJLCLTM-DLBZAZTESA-N 2 0 339.911 2.584 20 30 EFEDRP N#CC1(c2ccccc2-c2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]CC1 ZINC001205580799 1313317279 /nfs/dbraw/zinc/31/72/79/1313317279.db2.gz GEIZHWBGHOJGGK-UHFFFAOYSA-N 2 0 346.478 2.908 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807466 1313323602 /nfs/dbraw/zinc/32/36/02/1313323602.db2.gz SSMKBUOCFSNKHE-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP CC(=O)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC001201667121 1296979791 /nfs/dbraw/zinc/97/97/91/1296979791.db2.gz BGSUHHUQBIINLW-UHFFFAOYSA-N 2 0 335.411 2.651 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3ccc(C#N)c4ncccc34)cc[nH+]2)CC1 ZINC001201673298 1296983788 /nfs/dbraw/zinc/98/37/88/1296983788.db2.gz UCYDMGUPFHJAIA-UHFFFAOYSA-N 2 0 344.422 2.997 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205644591 1313329947 /nfs/dbraw/zinc/32/99/47/1313329947.db2.gz AZLKTVOOFSVLJU-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205647736 1313330515 /nfs/dbraw/zinc/33/05/15/1313330515.db2.gz DPCAONVLSOZDJJ-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001205673503 1313335050 /nfs/dbraw/zinc/33/50/50/1313335050.db2.gz RHTSYKJLSWQFHH-QFIPXVFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001201794214 1297084210 /nfs/dbraw/zinc/08/42/10/1297084210.db2.gz UUFICEIPXMNLRO-UHFFFAOYSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835538 1313365530 /nfs/dbraw/zinc/36/55/30/1313365530.db2.gz JSHWHSSQRRRVKG-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049837744 1313369056 /nfs/dbraw/zinc/36/90/56/1313369056.db2.gz REMPXPIXSKZBBW-XUVXKRRUSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837253 1313369267 /nfs/dbraw/zinc/36/92/67/1313369267.db2.gz AMGYVRYMKXOCMW-UXHICEINSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111020518 1297381315 /nfs/dbraw/zinc/38/13/15/1297381315.db2.gz DSPPGYRFXZUOGD-MANSERQUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555652 1313412009 /nfs/dbraw/zinc/41/20/09/1313412009.db2.gz RZSRTXIDPHHMDC-YSIASYRMSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CC[N@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235962528 1313423630 /nfs/dbraw/zinc/42/36/30/1313423630.db2.gz MMSBJGORHYAPJH-UHFFFAOYSA-N 2 0 337.467 2.990 20 30 EFEDRP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206282193 1313431526 /nfs/dbraw/zinc/43/15/26/1313431526.db2.gz RRUXWXWZDVWDDO-HKUYNNGSSA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206287396 1313431925 /nfs/dbraw/zinc/43/19/25/1313431925.db2.gz CAWCMRFCYTXHNS-UHFFFAOYSA-N 2 0 329.916 2.545 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439791 1298009379 /nfs/dbraw/zinc/00/93/79/1298009379.db2.gz VSZMTNKTGQENPC-RBUKOAKNSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915368 1313479711 /nfs/dbraw/zinc/47/97/11/1313479711.db2.gz UJROZUWIKQUIMC-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017696326 1313480089 /nfs/dbraw/zinc/48/00/89/1313480089.db2.gz QSQSSTXXYJHFSF-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189203 1298275983 /nfs/dbraw/zinc/27/59/83/1298275983.db2.gz YKLNGVGRVNAGRF-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199069 1298304696 /nfs/dbraw/zinc/30/46/96/1298304696.db2.gz JMHAJQMZZBCSPI-ZWKOTPCHSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206002 1298323148 /nfs/dbraw/zinc/32/31/48/1298323148.db2.gz WWCHDIGRQJCZRT-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242730 1298403542 /nfs/dbraw/zinc/40/35/42/1298403542.db2.gz VQZOAYKOVPKVPQ-IRXDYDNUSA-N 2 0 345.487 2.701 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254801 1298428405 /nfs/dbraw/zinc/42/84/05/1298428405.db2.gz TYGVTONIIIKQAN-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289791 1298501636 /nfs/dbraw/zinc/50/16/36/1298501636.db2.gz CSESZCPOEAEXBT-UXHICEINSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961340399 1298579728 /nfs/dbraw/zinc/57/97/28/1298579728.db2.gz KNRBCAZFGORTFR-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869144 1313530107 /nfs/dbraw/zinc/53/01/07/1313530107.db2.gz UYLHDXIHEGRAMD-HXUWFJFHSA-N 2 0 341.499 2.531 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871396 1313531146 /nfs/dbraw/zinc/53/11/46/1313531146.db2.gz JZBDEZPEERANSF-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961377987 1298649199 /nfs/dbraw/zinc/64/91/99/1298649199.db2.gz JRGIOQDXIHODJI-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875004 1313533319 /nfs/dbraw/zinc/53/33/19/1313533319.db2.gz RRKONPPZMUZQMY-UHFFFAOYSA-N 2 0 335.536 2.881 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395511 1298683255 /nfs/dbraw/zinc/68/32/55/1298683255.db2.gz KLSIUYDNIXOWKG-IHPCNDPISA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961403520 1298695638 /nfs/dbraw/zinc/69/56/38/1298695638.db2.gz UUKOBLRUBLDPJV-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961430973 1298736361 /nfs/dbraw/zinc/73/63/61/1298736361.db2.gz HANNXBFKOKFSQO-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431071 1298736817 /nfs/dbraw/zinc/73/68/17/1298736817.db2.gz IBTZUJFMWOIBFF-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236898835 1313549374 /nfs/dbraw/zinc/54/93/74/1313549374.db2.gz PJXQDBFDKLMXPG-UHFFFAOYSA-N 2 0 334.467 2.942 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCc2cc(OC)ccc21 ZINC000305793249 1298869021 /nfs/dbraw/zinc/86/90/21/1298869021.db2.gz MHEGAJJRCSTSTQ-SJORKVTESA-N 2 0 344.503 2.504 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951485 1313568632 /nfs/dbraw/zinc/56/86/32/1313568632.db2.gz TWCMQFXMEIVCJO-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980218 1313580099 /nfs/dbraw/zinc/58/00/99/1313580099.db2.gz LLGJOBZNYKKTPO-NZSAHSFTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@@H+](C)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237095506 1313585818 /nfs/dbraw/zinc/58/58/18/1313585818.db2.gz IQOLSNLYMVIXCP-UHFFFAOYSA-N 2 0 338.293 2.819 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416980 1300155848 /nfs/dbraw/zinc/15/58/48/1300155848.db2.gz VMKKABRTMIBLQZ-QRVBRYPASA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001114502010 1300331351 /nfs/dbraw/zinc/33/13/51/1300331351.db2.gz MCPJYXCISVBPAZ-WCIQWLHISA-N 2 0 347.547 2.900 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307039 1300559475 /nfs/dbraw/zinc/55/94/75/1300559475.db2.gz VWIWNHVFTFSXQZ-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114519417 1300579570 /nfs/dbraw/zinc/57/95/70/1300579570.db2.gz XHEJENPSSFBILH-PIIMJCKOSA-N 2 0 333.520 2.632 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315246 1300579800 /nfs/dbraw/zinc/57/98/00/1300579800.db2.gz SBYVUVJSLRISCY-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328042 1300611831 /nfs/dbraw/zinc/61/18/31/1300611831.db2.gz KZLDCJUZMBKDAU-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337310 1300633325 /nfs/dbraw/zinc/63/33/25/1300633325.db2.gz NQGLQJSXSAWPMU-MSOLQXFVSA-N 2 0 344.503 2.632 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345246 1300649895 /nfs/dbraw/zinc/64/98/95/1300649895.db2.gz FKULXKZRADWFCV-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360162 1300684799 /nfs/dbraw/zinc/68/47/99/1300684799.db2.gz KYKSOURSPDEPOH-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963421901 1300820968 /nfs/dbraw/zinc/82/09/68/1300820968.db2.gz TYOKMTIEQJVAPN-FAFZWHIHSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000963421903 1300821023 /nfs/dbraw/zinc/82/10/23/1300821023.db2.gz TYOKMTIEQJVAPN-TVPLGVNVSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176918 1313728344 /nfs/dbraw/zinc/72/83/44/1313728344.db2.gz SMUGCUGJXSVPIH-MKXGPGLRSA-N 2 0 333.520 2.748 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114563133 1300921153 /nfs/dbraw/zinc/92/11/53/1300921153.db2.gz UJGLSWCCCHTMGQ-BWTSREIZSA-N 2 0 340.471 2.965 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC001238083983 1313757681 /nfs/dbraw/zinc/75/76/81/1313757681.db2.gz DYJAVKOOBBTQDP-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000963837021 1301360492 /nfs/dbraw/zinc/36/04/92/1301360492.db2.gz AMCDVPSDIAVNIO-JUVOFCAFSA-N 2 0 341.927 2.828 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238190823 1313782181 /nfs/dbraw/zinc/78/21/81/1313782181.db2.gz FJLZGHIJUZOOBY-UHFFFAOYSA-N 2 0 336.911 2.917 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964643327 1302122614 /nfs/dbraw/zinc/12/26/14/1302122614.db2.gz JAKOOQYVFZFAQL-JDKNDNFBSA-N 2 0 345.531 2.987 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108002 1313849289 /nfs/dbraw/zinc/84/92/89/1313849289.db2.gz ZLOUOGKVTUNJRX-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001114368691 1302879968 /nfs/dbraw/zinc/87/99/68/1302879968.db2.gz QZAXADDXTJVTHU-ZSYWTGECSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258439 1313883131 /nfs/dbraw/zinc/88/31/31/1313883131.db2.gz JUSXHPXJQKDOGE-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000965348041 1303144550 /nfs/dbraw/zinc/14/45/50/1303144550.db2.gz SWEZOPBMTAUPPQ-UFQJCFOOSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000965932984 1303466581 /nfs/dbraw/zinc/46/65/81/1303466581.db2.gz HFODBFWKOPSOOW-ANUBTTBHSA-N 2 0 339.911 2.629 20 30 EFEDRP CCCCCCCCNC(=S)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001239461964 1313941166 /nfs/dbraw/zinc/94/11/66/1313941166.db2.gz ZMWVUHTXUQTNEN-KRWDZBQOSA-N 2 0 342.597 2.837 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001037868849 1303890085 /nfs/dbraw/zinc/89/00/85/1303890085.db2.gz OSMGGGUNCLCZEL-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001037877917 1304055393 /nfs/dbraw/zinc/05/53/93/1304055393.db2.gz FHZFOQFPCSVFAU-JKSUJKDBSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868186528 1304177301 /nfs/dbraw/zinc/17/73/01/1304177301.db2.gz UXKVUBGDWPJZKX-ZWKOTPCHSA-N 2 0 328.460 2.663 20 30 EFEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1CC[NH+](CC)CC1)CCO2 ZINC001208599056 1313972997 /nfs/dbraw/zinc/97/29/97/1313972997.db2.gz DIMCLOMXZIYFGP-WOJBJXKFSA-N 2 0 336.520 2.792 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904509 1304419889 /nfs/dbraw/zinc/41/98/89/1304419889.db2.gz QEDVUDKECPVQFX-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001037907339 1304608713 /nfs/dbraw/zinc/60/87/13/1304608713.db2.gz TXRJZFQWLMGCGL-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037928674 1304832039 /nfs/dbraw/zinc/83/20/39/1304832039.db2.gz DTSHGYTWIXTUGI-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP N#Cc1cc(-c2ccccc2Cn2cc[nH+]c2N)cc(C2C[NH2+]C2)c1 ZINC001240361149 1314024962 /nfs/dbraw/zinc/02/49/62/1314024962.db2.gz TVWMESSKRBPODY-UHFFFAOYSA-N 2 0 329.407 2.739 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397859 1304944036 /nfs/dbraw/zinc/94/40/36/1304944036.db2.gz SSKQTHCAYQEZGN-QAPCUYQASA-N 2 0 326.444 2.741 20 30 EFEDRP N#Cc1cc(-c2ncnc3sc4c(c32)CC[NH2+]C4)cc(C2C[NH2+]C2)c1 ZINC001240338339 1314022255 /nfs/dbraw/zinc/02/22/55/1314022255.db2.gz QOEWEIABVJFWKG-UHFFFAOYSA-N 2 0 347.447 2.562 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001037946907 1305147772 /nfs/dbraw/zinc/14/77/72/1305147772.db2.gz JPVMPEYJWZIDIR-ICSRJNTNSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725429 1305369067 /nfs/dbraw/zinc/36/90/67/1305369067.db2.gz SCIWNSLESBWUNB-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001037977901 1305523525 /nfs/dbraw/zinc/52/35/25/1305523525.db2.gz VLPYLZFXPLSAEF-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1CC ZINC001037983142 1305589280 /nfs/dbraw/zinc/58/92/80/1305589280.db2.gz MBPWSKFMVQINHK-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1CC ZINC001037983143 1305589909 /nfs/dbraw/zinc/58/99/09/1305589909.db2.gz MBPWSKFMVQINHK-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001209007369 1314067868 /nfs/dbraw/zinc/06/78/68/1314067868.db2.gz SLIOZRDTUHHXPW-IXDOHACOSA-N 2 0 332.492 2.798 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327806 1306137009 /nfs/dbraw/zinc/13/70/09/1306137009.db2.gz SJMIWHVUKPYYTG-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018985824 1314121611 /nfs/dbraw/zinc/12/16/11/1314121611.db2.gz HGECTIZGQDNIBO-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001209263762 1314128393 /nfs/dbraw/zinc/12/83/93/1314128393.db2.gz QBCSCPBSTURSST-FQEVSTJZSA-N 2 0 341.499 2.798 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001209263763 1314128497 /nfs/dbraw/zinc/12/84/97/1314128497.db2.gz QBCSCPBSTURSST-HXUWFJFHSA-N 2 0 341.499 2.798 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001209263057 1314128566 /nfs/dbraw/zinc/12/85/66/1314128566.db2.gz GNAMJDSJOQURNL-FQEVSTJZSA-N 2 0 348.531 2.629 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579918 1314132372 /nfs/dbraw/zinc/13/23/72/1314132372.db2.gz KPWACPMUAIRLIS-YRXWBPOGSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673212 1306555821 /nfs/dbraw/zinc/55/58/21/1306555821.db2.gz JBIRCOYYJODGHV-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681090 1306563501 /nfs/dbraw/zinc/56/35/01/1306563501.db2.gz GQERGRDZTSLJJV-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856096 1306726237 /nfs/dbraw/zinc/72/62/37/1306726237.db2.gz DSHFBBNKHKNHMA-RTBURBONSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860055 1306731261 /nfs/dbraw/zinc/73/12/61/1306731261.db2.gz XIQTVVMCMGRPHG-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCN(CC[NH+]1CCC2(CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276635598 1314144938 /nfs/dbraw/zinc/14/49/38/1314144938.db2.gz QBLBVAFYDLPVCY-UHFFFAOYSA-N 2 0 337.508 2.827 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044773434 1306791690 /nfs/dbraw/zinc/79/16/90/1306791690.db2.gz AKWGYNKURGTTAT-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001044798542 1306810226 /nfs/dbraw/zinc/81/02/26/1306810226.db2.gz CGKCVSBHGASYJO-NVXWUHKLSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936704 1306816455 /nfs/dbraw/zinc/81/64/55/1306816455.db2.gz OGQQHJPKQDEULT-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001044816240 1306825043 /nfs/dbraw/zinc/82/50/43/1306825043.db2.gz OFNBAAARSSRWBF-LPHOPBHVSA-N 2 0 333.520 2.654 20 30 EFEDRP N#CC1(c2ccccc2-c2cnn(C3CC[NH2+]CC3)c2)CC[NH2+]CC1 ZINC001241778038 1314149665 /nfs/dbraw/zinc/14/96/65/1314149665.db2.gz XJPDVWYFRIJNBZ-UHFFFAOYSA-N 2 0 335.455 2.619 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969001998 1306876573 /nfs/dbraw/zinc/87/65/73/1306876573.db2.gz IEMJJOWHGIROJT-VQTJNVASSA-N 2 0 345.531 2.778 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC(CC)CC)CC2)CC1 ZINC001045645719 1307496664 /nfs/dbraw/zinc/49/66/64/1307496664.db2.gz AAADPEJMWBMXEK-UHFFFAOYSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938299 1307940112 /nfs/dbraw/zinc/94/01/12/1307940112.db2.gz XAZYSOOQMZINRP-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938302 1307940517 /nfs/dbraw/zinc/94/05/17/1307940517.db2.gz XAZYSOOQMZINRP-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938300 1307941045 /nfs/dbraw/zinc/94/10/45/1307941045.db2.gz XAZYSOOQMZINRP-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939042 1307942057 /nfs/dbraw/zinc/94/20/57/1307942057.db2.gz SXOLLDHGTVEJNJ-SBHAEUEKSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209699331 1314218888 /nfs/dbraw/zinc/21/88/88/1314218888.db2.gz ZLXXAVKWQCOBLP-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943894 1307959212 /nfs/dbraw/zinc/95/92/12/1307959212.db2.gz QVNYANRVSNOEJN-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C2 ZINC001045945013 1307962959 /nfs/dbraw/zinc/96/29/59/1307962959.db2.gz MJQMNRCVVKPDED-MBOZVWFJSA-N 2 0 342.487 2.794 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945726 1307965387 /nfs/dbraw/zinc/96/53/87/1307965387.db2.gz YEOALKYVRNNVIY-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949141 1307975044 /nfs/dbraw/zinc/97/50/44/1307975044.db2.gz YMSJTAQRZABQCN-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958876 1308001609 /nfs/dbraw/zinc/00/16/09/1308001609.db2.gz YTTSMMIWORPEFZ-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960696 1308005727 /nfs/dbraw/zinc/00/57/27/1308005727.db2.gz QOWOZMXAHHGIHJ-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045965046 1308018771 /nfs/dbraw/zinc/01/87/71/1308018771.db2.gz BRONPGHNGMABIL-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965571 1308020001 /nfs/dbraw/zinc/02/00/01/1308020001.db2.gz JFJODCFGCBRCGH-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045966846 1308023661 /nfs/dbraw/zinc/02/36/61/1308023661.db2.gz HXKSRTFPFPOMEC-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045966847 1308023940 /nfs/dbraw/zinc/02/39/40/1308023940.db2.gz HXKSRTFPFPOMEC-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045973505 1308043529 /nfs/dbraw/zinc/04/35/29/1308043529.db2.gz SCOKBLHBPIUSAM-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045973859 1308044797 /nfs/dbraw/zinc/04/47/97/1308044797.db2.gz VZPLZPAEMFHEKM-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976610 1308052586 /nfs/dbraw/zinc/05/25/86/1308052586.db2.gz HEKJPXHGBGNHTJ-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979661 1308063070 /nfs/dbraw/zinc/06/30/70/1308063070.db2.gz JEUVTPZMVMNYKQ-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979403 1308063164 /nfs/dbraw/zinc/06/31/64/1308063164.db2.gz DCBZPKLCPLPENZ-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979663 1308063189 /nfs/dbraw/zinc/06/31/89/1308063189.db2.gz JEUVTPZMVMNYKQ-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045980097 1308065380 /nfs/dbraw/zinc/06/53/80/1308065380.db2.gz QSMZXWIUNZLJQP-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986369 1308087119 /nfs/dbraw/zinc/08/71/19/1308087119.db2.gz OMXNHMQIYYPZRM-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541527 1308144186 /nfs/dbraw/zinc/14/41/86/1308144186.db2.gz RIWQYPCRSPYJGN-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540920 1308144476 /nfs/dbraw/zinc/14/44/76/1308144476.db2.gz QEPUFFXOIIOVSA-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096104449 1308772079 /nfs/dbraw/zinc/77/20/79/1308772079.db2.gz JOROIULMFNNFLY-YDZRNGNQSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854509 1314274247 /nfs/dbraw/zinc/27/42/47/1314274247.db2.gz IQSXZJHRPRSBNI-AQNXPRMDSA-N 2 0 341.499 2.702 20 30 EFEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046617990 1308937699 /nfs/dbraw/zinc/93/76/99/1308937699.db2.gz BFHICWONEIPXFB-HXUWFJFHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760878 1309289429 /nfs/dbraw/zinc/28/94/29/1309289429.db2.gz NXVXYZSQWIOUHW-FQEVSTJZSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046954296 1309757111 /nfs/dbraw/zinc/75/71/11/1309757111.db2.gz QLDVXACVYBVXNO-HZPDHXFCSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046954155 1309757978 /nfs/dbraw/zinc/75/79/78/1309757978.db2.gz QLDVXACVYBVXNO-HOTGVXAUSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046954876 1309760038 /nfs/dbraw/zinc/76/00/38/1309760038.db2.gz UQFIENFUWDVHDG-HNNXBMFYSA-N 2 0 348.397 2.597 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001046996814 1309885246 /nfs/dbraw/zinc/88/52/46/1309885246.db2.gz XQUPSRTXIRKSOW-HZPDHXFCSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764646 1314358473 /nfs/dbraw/zinc/35/84/73/1314358473.db2.gz QBPVLROVRSWOAR-IRXDYDNUSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786956 1314373249 /nfs/dbraw/zinc/37/32/49/1314373249.db2.gz FNDOWGQULMVFBU-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786788 1314372363 /nfs/dbraw/zinc/37/23/63/1314372363.db2.gz BTSWADASWXRWHQ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047244141 1310400102 /nfs/dbraw/zinc/40/01/02/1310400102.db2.gz QGOOKTRPVVXRLK-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047244666 1310401596 /nfs/dbraw/zinc/40/15/96/1310401596.db2.gz UIMJHWGPXNHSGX-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047264847 1310456429 /nfs/dbraw/zinc/45/64/29/1310456429.db2.gz VEBOUNGFZOKLGV-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265437 1310458174 /nfs/dbraw/zinc/45/81/74/1310458174.db2.gz RIASTGMCDLRPEC-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632638 1314403970 /nfs/dbraw/zinc/40/39/70/1314403970.db2.gz TZTSNDXLACNKPJ-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712582 1311017263 /nfs/dbraw/zinc/01/72/63/1311017263.db2.gz HKNDRASXNIPRSQ-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714206 1311018387 /nfs/dbraw/zinc/01/83/87/1311018387.db2.gz SDEUSWRYELVMPL-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715455 1311018635 /nfs/dbraw/zinc/01/86/35/1311018635.db2.gz SIMDTTFVFVWGHQ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813755 1311036163 /nfs/dbraw/zinc/03/61/63/1311036163.db2.gz YEKPVWMOYRZXAO-IPMKNSEASA-N 2 0 335.536 2.974 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877649 1311047099 /nfs/dbraw/zinc/04/70/99/1311047099.db2.gz BOSBSWRCLPDWSR-QRVBRYPASA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098871057 1311048586 /nfs/dbraw/zinc/04/85/86/1311048586.db2.gz ZXKZMZZDNGHUPB-HBFSDRIKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910450 1311052537 /nfs/dbraw/zinc/05/25/37/1311052537.db2.gz BOBDKGQAPOPGBL-DFQSSKMNSA-N 2 0 347.547 2.994 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945485 1311058555 /nfs/dbraw/zinc/05/85/55/1311058555.db2.gz QXVZPFQQGZRVTF-IPMKNSEASA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001222018206 1311069395 /nfs/dbraw/zinc/06/93/95/1311069395.db2.gz RNZIPVVXNOZXDF-QZTJIDSGSA-N 2 0 332.492 2.695 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089894 1311082504 /nfs/dbraw/zinc/08/25/04/1311082504.db2.gz ZBAFDXPLFHJZGJ-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344956 1311089154 /nfs/dbraw/zinc/08/91/54/1311089154.db2.gz QWQUOPOFHMMIAS-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001099547214 1311101131 /nfs/dbraw/zinc/10/11/31/1311101131.db2.gz BBHVCOQSDQXVST-MUGJNUQGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001099548202 1311101345 /nfs/dbraw/zinc/10/13/45/1311101345.db2.gz RLSCFPOKXMKQQN-MUGJNUQGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891215 1311195278 /nfs/dbraw/zinc/19/52/78/1311195278.db2.gz BFLMITYGBXVZHQ-YZGWKJHDSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001223194863 1311229281 /nfs/dbraw/zinc/22/92/81/1311229281.db2.gz TYSONCWPIBMWPZ-RBUKOAKNSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223201051 1311229700 /nfs/dbraw/zinc/22/97/00/1311229700.db2.gz YGKMAPKLSXCAKJ-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312834 1311232466 /nfs/dbraw/zinc/23/24/66/1311232466.db2.gz NRYDMXDIOTXNEE-NQIIRXRSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001223248004 1311232614 /nfs/dbraw/zinc/23/26/14/1311232614.db2.gz AOWKWTAMPKKOEH-YTQUADARSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001223248003 1311232710 /nfs/dbraw/zinc/23/27/10/1311232710.db2.gz AOWKWTAMPKKOEH-NZSAHSFTSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001101551523 1311249363 /nfs/dbraw/zinc/24/93/63/1311249363.db2.gz ORJTWHILNVIWTB-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505504 1311270117 /nfs/dbraw/zinc/27/01/17/1311270117.db2.gz FWLQAHFEQXFCLS-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512255 1311270806 /nfs/dbraw/zinc/27/08/06/1311270806.db2.gz DCKMHHDHFIHTPV-QYZOEREBSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911991 1311320188 /nfs/dbraw/zinc/32/01/88/1311320188.db2.gz LKJSSDVFIBTSEZ-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929038 1311322599 /nfs/dbraw/zinc/32/25/99/1311322599.db2.gz OFYLEEHAQDZSRN-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001224233782 1311364180 /nfs/dbraw/zinc/36/41/80/1311364180.db2.gz YWTUQXHBIJDNTM-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC001224247996 1311366211 /nfs/dbraw/zinc/36/62/11/1311366211.db2.gz DYNGQGMZTUXZOY-GOSISDBHSA-N 2 0 344.503 2.548 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224290050 1311371344 /nfs/dbraw/zinc/37/13/44/1311371344.db2.gz XSUNXLJYPBLSAR-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763211 1311382589 /nfs/dbraw/zinc/38/25/89/1311382589.db2.gz BRBPIIDESLPKHB-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546932 1311405543 /nfs/dbraw/zinc/40/55/43/1311405543.db2.gz SVSJNUXVAGRIJP-MJGOQNOKSA-N 2 0 337.552 2.983 20 30 EFEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872490 1311406703 /nfs/dbraw/zinc/40/67/03/1311406703.db2.gz MEZBBWVCBWSZNC-LJQANCHMSA-N 2 0 333.520 2.589 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001224570618 1311409117 /nfs/dbraw/zinc/40/91/17/1311409117.db2.gz YWQFPYKAFNWSFF-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224754195 1311431285 /nfs/dbraw/zinc/43/12/85/1311431285.db2.gz RZCFQOKFGVSENI-QGZVFWFLSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001225063579 1311470325 /nfs/dbraw/zinc/47/03/25/1311470325.db2.gz HGLMXTIYKITFNX-UHFFFAOYSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001225557979 1311543161 /nfs/dbraw/zinc/54/31/61/1311543161.db2.gz XTMHOEIHWGZCHT-WAYWQWQTSA-N 2 0 345.531 2.516 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313908 1311613746 /nfs/dbraw/zinc/61/37/46/1311613746.db2.gz RBFZWMABBXSRIA-XWSJACJDSA-N 2 0 333.520 2.939 20 30 EFEDRP N#Cc1cc(Nc2ccccc2N2CC[C@@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001160040789 1311632621 /nfs/dbraw/zinc/63/26/21/1311632621.db2.gz PTNPIXCIAVKXRP-QGZVFWFLSA-N 2 0 333.439 2.526 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001226267265 1311639375 /nfs/dbraw/zinc/63/93/75/1311639375.db2.gz DXMRNZFONNBTNW-DFQSSKMNSA-N 2 0 345.531 2.681 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169039 1311658667 /nfs/dbraw/zinc/65/86/67/1311658667.db2.gz HFIRZPUGLHELCY-RBUKOAKNSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285949 1311679811 /nfs/dbraw/zinc/67/98/11/1311679811.db2.gz MAJYSLOTOPRWGN-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160292437 1311682280 /nfs/dbraw/zinc/68/22/80/1311682280.db2.gz NNSZXBALCRIXRB-GOSISDBHSA-N 2 0 339.499 2.771 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360853 1311697113 /nfs/dbraw/zinc/69/71/13/1311697113.db2.gz XMIFGZNNGPSEQJ-IBGZPJMESA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360680 1311697254 /nfs/dbraw/zinc/69/72/54/1311697254.db2.gz URYUJZKNNSSNCZ-IBGZPJMESA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277152020 1311716028 /nfs/dbraw/zinc/71/60/28/1311716028.db2.gz OVPXWOOAOIQWSE-QUCCMNQESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001277152719 1311717600 /nfs/dbraw/zinc/71/76/00/1311717600.db2.gz UJYYHXXZTLGVFR-LCLWPZTBSA-N 2 0 347.547 2.948 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028251 1311753915 /nfs/dbraw/zinc/75/39/15/1311753915.db2.gz GDSOOJBYWHFXBU-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856525 1311797443 /nfs/dbraw/zinc/79/74/43/1311797443.db2.gz NIHKHXBTNZFGCG-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277224519 1311828644 /nfs/dbraw/zinc/82/86/44/1311828644.db2.gz CECYEBNMJYXOJJ-FXAWDEMLSA-N 2 0 335.536 2.974 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227792747 1311856416 /nfs/dbraw/zinc/85/64/16/1311856416.db2.gz UOGRTJRXABJTCI-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048525334 1311861214 /nfs/dbraw/zinc/86/12/14/1311861214.db2.gz CHXOXLXZWIRZEL-RNQOJCNYSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001227867515 1311867166 /nfs/dbraw/zinc/86/71/66/1311867166.db2.gz HLXAAYCRCPSXPI-IAGOWNOFSA-N 2 0 330.476 2.840 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001048530060 1311867560 /nfs/dbraw/zinc/86/75/60/1311867560.db2.gz DYROYOUARMQWOP-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391869 1311877752 /nfs/dbraw/zinc/87/77/52/1311877752.db2.gz XRZUDHCQQQIAAS-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538261 1311879275 /nfs/dbraw/zinc/87/92/75/1311879275.db2.gz NQSJWLYELITCBF-UJWQCDCRSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048542427 1311884185 /nfs/dbraw/zinc/88/41/85/1311884185.db2.gz DRDPNMDADVZVDW-BCDXTJNWSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543246 1311885752 /nfs/dbraw/zinc/88/57/52/1311885752.db2.gz QQFDONLEFLDLIO-BCDXTJNWSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444252 1311890742 /nfs/dbraw/zinc/89/07/42/1311890742.db2.gz AODRMYNOSGPCSO-OALUTQOASA-N 2 0 331.504 2.718 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570656 1311918196 /nfs/dbraw/zinc/91/81/96/1311918196.db2.gz UEPBTELESDDCLA-OYSTVDSJSA-N 2 0 331.504 2.549 20 30 EFEDRP 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 ZINC001048583421 1311933135 /nfs/dbraw/zinc/93/31/35/1311933135.db2.gz KOTAFFLUCDOYKT-FKSLSLAPSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048584836 1311935133 /nfs/dbraw/zinc/93/51/33/1311935133.db2.gz CWPCJWSSYUEYFA-JTJHWIPRSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048589980 1311941535 /nfs/dbraw/zinc/94/15/35/1311941535.db2.gz GGDOTDJJAHXVBR-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698712 1311953264 /nfs/dbraw/zinc/95/32/64/1311953264.db2.gz AQRCPJPWXGKLJC-HKUYNNGSSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704694 1311955435 /nfs/dbraw/zinc/95/54/35/1311955435.db2.gz GFAKQNKPXODZKM-RBUKOAKNSA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705167 1311955481 /nfs/dbraw/zinc/95/54/81/1311955481.db2.gz MSVCSDWIBWVSSU-OALUTQOASA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161705166 1311956015 /nfs/dbraw/zinc/95/60/15/1311956015.db2.gz MSVCSDWIBWVSSU-MOPGFXCFSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716402 1311958675 /nfs/dbraw/zinc/95/86/75/1311958675.db2.gz QOIVJLBYUVHHJV-UHFFFAOYSA-N 2 0 345.531 2.967 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228602617 1311968527 /nfs/dbraw/zinc/96/85/27/1311968527.db2.gz IFAUABVAXWVKCV-GPMSIDNRSA-N 2 0 339.499 2.792 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCCCC)CC2)CC1 ZINC001161946825 1312010836 /nfs/dbraw/zinc/01/08/36/1312010836.db2.gz GMWRZISEQHNLPD-UHFFFAOYSA-N 2 0 345.531 2.660 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952671 1312012125 /nfs/dbraw/zinc/01/21/25/1312012125.db2.gz IIQGKLREULPEHW-FQEVSTJZSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001228864592 1312012225 /nfs/dbraw/zinc/01/22/25/1312012225.db2.gz NGUVDRXRKIKQQM-OAHLLOKOSA-N 2 0 333.476 2.890 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952672 1312012475 /nfs/dbraw/zinc/01/24/75/1312012475.db2.gz IIQGKLREULPEHW-HXUWFJFHSA-N 2 0 345.531 2.659 20 30 EFEDRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902740458 1312066944 /nfs/dbraw/zinc/06/69/44/1312066944.db2.gz UWOSZYPZIWHQCL-UXHICEINSA-N 2 0 328.504 2.871 20 30 EFEDRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902740460 1312067318 /nfs/dbraw/zinc/06/73/18/1312067318.db2.gz UWOSZYPZIWHQCL-WOJBJXKFSA-N 2 0 328.504 2.871 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015376138 1312084139 /nfs/dbraw/zinc/08/41/39/1312084139.db2.gz HRGGTPHADMFZNG-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229731797 1312129321 /nfs/dbraw/zinc/12/93/21/1312129321.db2.gz KBEHEEUAUCXDFB-IAGOWNOFSA-N 2 0 330.476 2.744 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001162831650 1312186289 /nfs/dbraw/zinc/18/62/89/1312186289.db2.gz AGKALQRGFCHTAO-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001162832659 1312186838 /nfs/dbraw/zinc/18/68/38/1312186838.db2.gz YLUGLMBHCWVLSS-FQEVSTJZSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162840864 1312188003 /nfs/dbraw/zinc/18/80/03/1312188003.db2.gz FHFJAJUEWNIMTD-HXUWFJFHSA-N 2 0 345.531 2.954 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906229 1312200918 /nfs/dbraw/zinc/20/09/18/1312200918.db2.gz GGVCAWCFENHPRP-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162911351 1312202216 /nfs/dbraw/zinc/20/22/16/1312202216.db2.gz KYCFTYPQTCSVSY-IBGZPJMESA-N 2 0 345.531 2.954 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162934395 1312206561 /nfs/dbraw/zinc/20/65/61/1312206561.db2.gz FHFJAJUEWNIMTD-FQEVSTJZSA-N 2 0 345.531 2.954 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960430 1312212255 /nfs/dbraw/zinc/21/22/55/1312212255.db2.gz SICVMIPRXHHGIZ-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977169 1312216952 /nfs/dbraw/zinc/21/69/52/1312216952.db2.gz IMXFQBJYVUGFSS-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977818 1312217457 /nfs/dbraw/zinc/21/74/57/1312217457.db2.gz XYDANALIMFQRTP-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C#C[Si](C)(C)C)ccn1 ZINC001163128684 1312246643 /nfs/dbraw/zinc/24/66/43/1312246643.db2.gz AZBSSPLWKHLIFM-UHFFFAOYSA-N 2 0 331.540 2.589 20 30 EFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2c(cc1C#N)CCCC2(C)C ZINC001163129524 1312247180 /nfs/dbraw/zinc/24/71/80/1312247180.db2.gz MLMODYMBDVLFNW-UHFFFAOYSA-N 2 0 342.491 2.845 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581221 1312272583 /nfs/dbraw/zinc/27/25/83/1312272583.db2.gz WZUQKQJNNMYZHF-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598554 1312278676 /nfs/dbraw/zinc/27/86/76/1312278676.db2.gz SIBWYQHQPZQOTA-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598612 1312279291 /nfs/dbraw/zinc/27/92/91/1312279291.db2.gz UUMFVCOXEWSEKK-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230605460 1312280397 /nfs/dbraw/zinc/28/03/97/1312280397.db2.gz NQAYMWGFVBCGIG-LJQANCHMSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611744 1312282965 /nfs/dbraw/zinc/28/29/65/1312282965.db2.gz ZHWVXDOHOJINJG-PMACEKPBSA-N 2 0 347.547 2.689 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610820 1312283307 /nfs/dbraw/zinc/28/33/07/1312283307.db2.gz IFVBMEHVTKXAKY-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230617848 1312286106 /nfs/dbraw/zinc/28/61/06/1312286106.db2.gz GPYSAYGXEFYTIY-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622646 1312288084 /nfs/dbraw/zinc/28/80/84/1312288084.db2.gz PMDPFOLNVYPSLK-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165643 1312533163 /nfs/dbraw/zinc/53/31/63/1312533163.db2.gz WRMGREVFOXRYSY-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531141 1312533590 /nfs/dbraw/zinc/53/35/90/1312533590.db2.gz AHQLIQOKNDYSCR-ZWKOTPCHSA-N 2 0 333.520 2.703 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531135 1312533597 /nfs/dbraw/zinc/53/35/97/1312533597.db2.gz AHQLIQOKNDYSCR-MSOLQXFVSA-N 2 0 333.520 2.703 20 30 EFEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001277543221 1312534535 /nfs/dbraw/zinc/53/45/35/1312534535.db2.gz KERDGQNOSYYUPL-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C#Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001231656924 1312542140 /nfs/dbraw/zinc/54/21/40/1312542140.db2.gz JANBZMOLPAPKNV-UHFFFAOYSA-N 2 0 348.494 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCCCC=C)C2)CC1 ZINC001211233563 1314460815 /nfs/dbraw/zinc/46/08/15/1314460815.db2.gz IHUZCJYDFLHCEE-HXUWFJFHSA-N 2 0 345.531 2.659 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052955320 1314515526 /nfs/dbraw/zinc/51/55/26/1314515526.db2.gz CXKPWASYAVQZJX-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956275 1314516922 /nfs/dbraw/zinc/51/69/22/1314516922.db2.gz RAYCVCIQEMZNCS-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001052989381 1314545714 /nfs/dbraw/zinc/54/57/14/1314545714.db2.gz CKWXAAXQTCGODJ-KDURUIRLSA-N 2 0 347.547 2.994 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@]1(O)CCCC[NH2+]C1 ZINC001245976343 1314557842 /nfs/dbraw/zinc/55/78/42/1314557842.db2.gz SAZJZFZACHNMAD-MOPGFXCFSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001245981009 1314558892 /nfs/dbraw/zinc/55/88/92/1314558892.db2.gz PJNFXDHZMBQHHR-ZWKOTPCHSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1COC2(C[NH2+]C2)C1 ZINC001245988363 1314560395 /nfs/dbraw/zinc/56/03/95/1314560395.db2.gz VLCXKJMMLXDBQG-ZWKOTPCHSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]CC1(C(=O)OCC)CC[NH2+]CC1 ZINC001246000922 1314563649 /nfs/dbraw/zinc/56/36/49/1314563649.db2.gz DYVHOKGHKXMSEE-KRWDZBQOSA-N 2 0 342.524 2.620 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246005678 1314565134 /nfs/dbraw/zinc/56/51/34/1314565134.db2.gz YGLUWOOHYKRGSH-OTWHNJEPSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026978 1314568874 /nfs/dbraw/zinc/56/88/74/1314568874.db2.gz GRYARFGLSPMDOG-LJQANCHMSA-N 2 0 339.568 2.906 20 30 EFEDRP CCCCCCCCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246243068 1314601158 /nfs/dbraw/zinc/60/11/58/1314601158.db2.gz PIUVCAUXUGLVLH-CVEARBPZSA-N 2 0 327.538 2.590 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042251 1314622267 /nfs/dbraw/zinc/62/22/67/1314622267.db2.gz OWPXFIHOOPGWLO-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042426 1314623483 /nfs/dbraw/zinc/62/34/83/1314623483.db2.gz PWEQNNYZKVNQTD-MOPGFXCFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050169 1314636023 /nfs/dbraw/zinc/63/60/23/1314636023.db2.gz IAKYRYHQWDHDHK-RBUKOAKNSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052313 1314640586 /nfs/dbraw/zinc/64/05/86/1314640586.db2.gz UMAINXFRWWVDJL-RTBURBONSA-N 2 0 333.520 2.609 20 30 EFEDRP C/C(NC1CCC2(CCC[NH2+]C2)CC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001246524600 1314642070 /nfs/dbraw/zinc/64/20/70/1314642070.db2.gz KFNDFZQFRVGXCT-UHFFFAOYSA-N 3 0 328.504 2.966 20 30 EFEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246542456 1314644620 /nfs/dbraw/zinc/64/46/20/1314644620.db2.gz KQJIVJPSIRXDKW-SOAGJPPSSA-N 2 0 327.472 2.566 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246849346 1314695893 /nfs/dbraw/zinc/69/58/93/1314695893.db2.gz FNTUDITUCCLKEJ-SJPCQFCGSA-N 2 0 341.455 2.693 20 30 EFEDRP N#Cc1ccc(N2CC[NH+]([C@H]3CCC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001246863898 1314698644 /nfs/dbraw/zinc/69/86/44/1314698644.db2.gz GUMLMTRXLMEIRS-KRWDZBQOSA-N 2 0 342.462 2.742 20 30 EFEDRP CCCCCCCCC[C@H](C)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246927459 1314709896 /nfs/dbraw/zinc/70/98/96/1314709896.db2.gz ZYQMYVJCZMGXLB-SFHVURJKSA-N 3 0 342.572 2.631 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069559 1314776685 /nfs/dbraw/zinc/77/66/85/1314776685.db2.gz VANKCBWUHHCKFC-RVKKMQEKSA-N 2 0 326.444 2.739 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215220205 1314801792 /nfs/dbraw/zinc/80/17/92/1314801792.db2.gz YOCPZJKTWSHXTK-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248076 1314817673 /nfs/dbraw/zinc/81/76/73/1314817673.db2.gz LUGDPFQKNBTLBB-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCNC(=S)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC001247735000 1314831028 /nfs/dbraw/zinc/83/10/28/1314831028.db2.gz KOYLSEQTEQVSGJ-UHFFFAOYSA-N 2 0 342.597 2.813 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215407723 1314831294 /nfs/dbraw/zinc/83/12/94/1314831294.db2.gz OHCUKSGAWHZLAY-HLLBOEOZSA-N 2 0 333.476 2.746 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001215548235 1314849605 /nfs/dbraw/zinc/84/96/05/1314849605.db2.gz NVPPKVWBGUEXOX-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216336073 1314941563 /nfs/dbraw/zinc/94/15/63/1314941563.db2.gz VXLRJPDKLWUUFC-YFVAEKQCSA-N 2 0 343.515 2.866 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCCCCC)C2)CC1 ZINC001216843049 1315014663 /nfs/dbraw/zinc/01/46/63/1315014663.db2.gz SVANJFNGQKVTFE-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP c1ccc([S+](CCO[C@H]2COC3(C[NH2+]C3)C2)c2ccccc2)cc1 ZINC001217793204 1315113188 /nfs/dbraw/zinc/11/31/88/1315113188.db2.gz RDYVVLULXBPEDL-QGZVFWFLSA-N 2 0 342.484 2.870 20 30 EFEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834369 1315116237 /nfs/dbraw/zinc/11/62/37/1315116237.db2.gz WZULTFURAYJFKE-APWZRJJASA-N 2 0 325.457 2.851 20 30 EFEDRP N#C[C@@H]1C[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834374 1315116289 /nfs/dbraw/zinc/11/62/89/1315116289.db2.gz WZULTFURAYJFKE-VQIMIIECSA-N 2 0 325.457 2.851 20 30 EFEDRP N#C[C@H]1C[NH2+]C[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833214 1315116414 /nfs/dbraw/zinc/11/64/14/1315116414.db2.gz RMIDCYASVJGKCT-AZUAARDMSA-N 2 0 343.471 2.570 20 30 EFEDRP N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001218337687 1315181444 /nfs/dbraw/zinc/18/14/44/1315181444.db2.gz ZDTNHKUPRGUGET-IBGZPJMESA-N 2 0 333.435 2.857 20 30 EFEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218457676 1315199497 /nfs/dbraw/zinc/19/94/97/1315199497.db2.gz YYUZNVZBSLSMDZ-WOJBJXKFSA-N 2 0 329.488 2.685 20 30 EFEDRP C[NH+]1CCN(c2cccc3[nH]c(Cc4ccc(C#N)cc4)nc32)CC1 ZINC001250587222 1315227520 /nfs/dbraw/zinc/22/75/20/1315227520.db2.gz CERPGASBUFHHPR-UHFFFAOYSA-N 2 0 331.423 2.777 20 30 EFEDRP CCc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)cc(CC)c1C#N ZINC001219112610 1315282301 /nfs/dbraw/zinc/28/23/01/1315282301.db2.gz OBJFMDFHIBRQKS-SFHVURJKSA-N 2 0 330.476 2.681 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144615 1315363289 /nfs/dbraw/zinc/36/32/89/1315363289.db2.gz AMTHVJMCPJEHER-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054147144 1315367663 /nfs/dbraw/zinc/36/76/63/1315367663.db2.gz LGNNDSLBIDPVRO-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147142 1315367680 /nfs/dbraw/zinc/36/76/80/1315367680.db2.gz LGNNDSLBIDPVRO-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148850 1315370440 /nfs/dbraw/zinc/37/04/40/1315370440.db2.gz XKGCPVLXHJYNEZ-WMZOPIPTSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054152824 1315376738 /nfs/dbraw/zinc/37/67/38/1315376738.db2.gz HNOOIBFMZZUQIJ-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154375 1315379995 /nfs/dbraw/zinc/37/99/95/1315379995.db2.gz SRTUKOWIYDVAJN-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054156824 1315383347 /nfs/dbraw/zinc/38/33/47/1315383347.db2.gz YOVQXHJDASSUDZ-NRFANRHFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160041 1315388135 /nfs/dbraw/zinc/38/81/35/1315388135.db2.gz UAIRNTRFLCNYJJ-FQEVSTJZSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164221 1315395526 /nfs/dbraw/zinc/39/55/26/1315395526.db2.gz DNEVMVVWKAFSKX-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164796 1315396788 /nfs/dbraw/zinc/39/67/88/1315396788.db2.gz SCXWUOOGASEYDW-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184593 1315426267 /nfs/dbraw/zinc/42/62/67/1315426267.db2.gz HZGFLVOXCKNNHL-BJLQDIEVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192418 1315432894 /nfs/dbraw/zinc/43/28/94/1315432894.db2.gz XKGCPVLXHJYNEZ-SJLPKXTDSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054197794 1315442347 /nfs/dbraw/zinc/44/23/47/1315442347.db2.gz ISFWJCHAJTUHSN-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054198010 1315443273 /nfs/dbraw/zinc/44/32/73/1315443273.db2.gz NIYRXRPYROZKPO-FUHWJXTLSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCOC[C@H](O)C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001252460526 1315452563 /nfs/dbraw/zinc/45/25/63/1315452563.db2.gz CPCNZBKGKKOOPE-IEBWSBKVSA-N 2 0 348.487 2.520 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209115 1315459417 /nfs/dbraw/zinc/45/94/17/1315459417.db2.gz JPWBEWBIDSWWFU-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209630 1315460272 /nfs/dbraw/zinc/46/02/72/1315460272.db2.gz UIVTYOZHOWLGGV-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209268 1315460452 /nfs/dbraw/zinc/46/04/52/1315460452.db2.gz MWHIOGYVQHSTBJ-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209476 1315460892 /nfs/dbraw/zinc/46/08/92/1315460892.db2.gz QYQMCYOGXQDSSY-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209881 1315461998 /nfs/dbraw/zinc/46/19/98/1315461998.db2.gz ZVIPDBSEJOWCIS-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001252577989 1315470612 /nfs/dbraw/zinc/47/06/12/1315470612.db2.gz PETPPDBZWXBALC-FQEVSTJZSA-N 2 0 327.472 2.701 20 30 EFEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001252577993 1315470628 /nfs/dbraw/zinc/47/06/28/1315470628.db2.gz PETPPDBZWXBALC-HXUWFJFHSA-N 2 0 327.472 2.701 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131696 1315513920 /nfs/dbraw/zinc/51/39/20/1315513920.db2.gz SGTWRFIDKKAXHD-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054244405 1315515665 /nfs/dbraw/zinc/51/56/65/1315515665.db2.gz FCYPBDRIVNCQMR-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054244828 1315515743 /nfs/dbraw/zinc/51/57/43/1315515743.db2.gz JEYVVVOVCWKEOQ-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136566 1315522967 /nfs/dbraw/zinc/52/29/67/1315522967.db2.gz AFCHPUMLLFFOLH-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137158 1315524395 /nfs/dbraw/zinc/52/43/95/1315524395.db2.gz LQFWDKNKOBEIJS-GOSISDBHSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139553 1315527316 /nfs/dbraw/zinc/52/73/16/1315527316.db2.gz JAZFJHWHHIGDCZ-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139555 1315527584 /nfs/dbraw/zinc/52/75/84/1315527584.db2.gz JAZFJHWHHIGDCZ-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140794 1315529807 /nfs/dbraw/zinc/52/98/07/1315529807.db2.gz JPUSSIUBIWGPST-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166496 1315566404 /nfs/dbraw/zinc/56/64/04/1315566404.db2.gz ZFKHVXKNDMOKKB-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167662 1315569114 /nfs/dbraw/zinc/56/91/14/1315569114.db2.gz ZTBLHFXOVRTBEG-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647143 1315569279 /nfs/dbraw/zinc/56/92/79/1315569279.db2.gz SNJUUIOHQCRIQG-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCCC[C@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001253227022 1315582833 /nfs/dbraw/zinc/58/28/33/1315582833.db2.gz DVZQWPIVYIVKKD-FQEVSTJZSA-N 2 0 339.568 2.833 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182497 1315589815 /nfs/dbraw/zinc/58/98/15/1315589815.db2.gz PBURGQDMGQHXBE-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208319 1315621179 /nfs/dbraw/zinc/62/11/79/1315621179.db2.gz CENNCFZXPGMGQT-SJLPKXTDSA-N 2 0 330.476 2.621 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnccc2OC)C1 ZINC001039216973 1315635336 /nfs/dbraw/zinc/63/53/36/1315635336.db2.gz BLFMZADKVIGQRX-SJLPKXTDSA-N 2 0 343.471 2.522 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219339 1315639428 /nfs/dbraw/zinc/63/94/28/1315639428.db2.gz SHGLUONULKPCFD-MJGOQNOKSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278747243 1315650320 /nfs/dbraw/zinc/65/03/20/1315650320.db2.gz JGJVOKKMUXVAHT-JKSUJKDBSA-N 2 0 345.478 2.612 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236298 1315661027 /nfs/dbraw/zinc/66/10/27/1315661027.db2.gz YPGQSMUWVNHXCK-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236860 1315661391 /nfs/dbraw/zinc/66/13/91/1315661391.db2.gz FVVJWAXJRJOLBO-AEFFLSMTSA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243712 1315672357 /nfs/dbraw/zinc/67/23/57/1315672357.db2.gz VWCPLCDERGOJOP-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039289137 1315703338 /nfs/dbraw/zinc/70/33/38/1315703338.db2.gz NPSLBOJONLWBID-ZNBHLAFESA-N 2 0 343.515 2.528 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001039298086 1315707160 /nfs/dbraw/zinc/70/71/60/1315707160.db2.gz JKKGVKXAHWNMPJ-XYTVBORESA-N 2 0 339.911 2.725 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039302172 1315709247 /nfs/dbraw/zinc/70/92/47/1315709247.db2.gz ZHOSVZKQBUOGCP-IPQPSQTFSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001039304352 1315709838 /nfs/dbraw/zinc/70/98/38/1315709838.db2.gz GRPQUQZCIDQOJS-YQQQUEKLSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)CC1 ZINC001254515914 1315713027 /nfs/dbraw/zinc/71/30/27/1315713027.db2.gz GKRLGIXVWBKMPK-GOSISDBHSA-N 2 0 349.519 2.971 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397581 1315764044 /nfs/dbraw/zinc/76/40/44/1315764044.db2.gz ONGFUVNNSNWYCE-AEFFLSMTSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039397969 1315764559 /nfs/dbraw/zinc/76/45/59/1315764559.db2.gz IMNFQMIILSAQNI-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410810 1315772793 /nfs/dbraw/zinc/77/27/93/1315772793.db2.gz ADDVFZYGLMSFTN-QYZOEREBSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)C(=O)NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255125213 1315779530 /nfs/dbraw/zinc/77/95/30/1315779530.db2.gz SAPOVIYHTOIAML-ACDBMABISA-N 2 0 341.499 2.854 20 30 EFEDRP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001255356680 1315809082 /nfs/dbraw/zinc/80/90/82/1315809082.db2.gz KLJREKRNTYXWBM-QZTJIDSGSA-N 2 0 331.460 2.775 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050766477 1315810054 /nfs/dbraw/zinc/81/00/54/1315810054.db2.gz QAMNTKLRGBSDEV-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474730 1315817827 /nfs/dbraw/zinc/81/78/27/1315817827.db2.gz XKULAMOCIGBOFZ-SJORKVTESA-N 2 0 339.911 2.680 20 30 EFEDRP C=C(C)CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3C)cccc2C1 ZINC001051283996 1315842765 /nfs/dbraw/zinc/84/27/65/1315842765.db2.gz VMKLZZVXWHUVTF-FQEVSTJZSA-N 2 0 341.499 2.721 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255678454 1315857452 /nfs/dbraw/zinc/85/74/52/1315857452.db2.gz GPTOQUIKQLTZEF-VYFYYAICSA-N 2 0 334.504 2.828 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC2 ZINC001255955572 1315884639 /nfs/dbraw/zinc/88/46/39/1315884639.db2.gz BZUJSHNOVZNTLD-KRWDZBQOSA-N 2 0 337.508 2.827 20 30 EFEDRP N#CC1(NC2CC[NH+](C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001256071481 1315899695 /nfs/dbraw/zinc/89/96/95/1315899695.db2.gz ZQYBLRRQBXHTMF-UHFFFAOYSA-N 2 0 338.499 2.761 20 30 EFEDRP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537896 1315954223 /nfs/dbraw/zinc/95/42/23/1315954223.db2.gz QQQFYQHJEXZBML-MJGOQNOKSA-N 2 0 326.488 2.617 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256623897 1315970621 /nfs/dbraw/zinc/97/06/21/1315970621.db2.gz NKJFIFIOIMHERC-WMWLNJEOSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014117 1316110047 /nfs/dbraw/zinc/11/00/47/1316110047.db2.gz CJOXUBICOOJFDK-UXHICEINSA-N 2 0 336.520 2.933 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209998 1316144564 /nfs/dbraw/zinc/14/45/64/1316144564.db2.gz MSEMACFTCYSXII-QKNQBKEWSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211388 1316146145 /nfs/dbraw/zinc/14/61/45/1316146145.db2.gz ZIKKAJUYOASZNB-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276607 1316179681 /nfs/dbraw/zinc/17/96/81/1316179681.db2.gz NXENVYXGZASKRP-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C2 ZINC001258898668 1316190579 /nfs/dbraw/zinc/19/05/79/1316190579.db2.gz OLVYAZKOFYJQLQ-MJGOQNOKSA-N 2 0 345.531 2.992 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327732 1316203764 /nfs/dbraw/zinc/20/37/64/1316203764.db2.gz HNHJMWXBDNHYSZ-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347421 1316213888 /nfs/dbraw/zinc/21/38/88/1316213888.db2.gz KXDLHXUGKJLJSD-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430895 1316260990 /nfs/dbraw/zinc/26/09/90/1316260990.db2.gz DKRXIQJLFZTSNN-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432675 1316262729 /nfs/dbraw/zinc/26/27/29/1316262729.db2.gz PQHRLQKWIIEGKQ-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464712 1316280175 /nfs/dbraw/zinc/28/01/75/1316280175.db2.gz PFBQHLJZKVCRKI-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487717 1316289614 /nfs/dbraw/zinc/28/96/14/1316289614.db2.gz GNAZEIRBSJSWAY-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545437 1316316946 /nfs/dbraw/zinc/31/69/46/1316316946.db2.gz QBUVWVIWBKFBES-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040722172 1316359937 /nfs/dbraw/zinc/35/99/37/1316359937.db2.gz OUPYEQXSYBTCTA-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040727431 1316361591 /nfs/dbraw/zinc/36/15/91/1316361591.db2.gz QZDLNPPQORVHGR-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733152 1316362598 /nfs/dbraw/zinc/36/25/98/1316362598.db2.gz PQBKKKVUKDCWQZ-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040745550 1316365455 /nfs/dbraw/zinc/36/54/55/1316365455.db2.gz OEARKRPDRHLDLU-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746080 1316365539 /nfs/dbraw/zinc/36/55/39/1316365539.db2.gz VNSVYTPFGSUEKM-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040757016 1316368653 /nfs/dbraw/zinc/36/86/53/1316368653.db2.gz LPGSNOCPKXWZGW-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001040759883 1316369087 /nfs/dbraw/zinc/36/90/87/1316369087.db2.gz BNNFMQCXGQAWCL-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040816968 1316381481 /nfs/dbraw/zinc/38/14/81/1316381481.db2.gz ITVPVUMMZYSWKK-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001040824813 1316383020 /nfs/dbraw/zinc/38/30/20/1316383020.db2.gz XINRHALKLNGADU-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040874324 1316394077 /nfs/dbraw/zinc/39/40/77/1316394077.db2.gz DEVBOPNAFZIONY-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040875145 1316394842 /nfs/dbraw/zinc/39/48/42/1316394842.db2.gz SSUQQDHZHZQDJY-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875120 1316395011 /nfs/dbraw/zinc/39/50/11/1316395011.db2.gz RYIUCXSCEDQCEP-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001040876077 1316395496 /nfs/dbraw/zinc/39/54/96/1316395496.db2.gz ALIWIIAUYOBQPT-QGZVFWFLSA-N 2 0 344.503 2.869 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040895356 1316399940 /nfs/dbraw/zinc/39/99/40/1316399940.db2.gz VQDKRMRFYGTLDP-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040950958 1316409892 /nfs/dbraw/zinc/40/98/92/1316409892.db2.gz BWUPEPOGZLSIQD-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738097 1316410447 /nfs/dbraw/zinc/41/04/47/1316410447.db2.gz FRUACDSOAKFAKD-GOSISDBHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285693 1316502553 /nfs/dbraw/zinc/50/25/53/1316502553.db2.gz GJWIHWJHOSDIBH-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286990 1316503291 /nfs/dbraw/zinc/50/32/91/1316503291.db2.gz OKENURWIVFDBSB-NQIIRXRSSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358380 1316526775 /nfs/dbraw/zinc/52/67/75/1316526775.db2.gz NKMHXLHMENJVBH-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357967 1316527024 /nfs/dbraw/zinc/52/70/24/1316527024.db2.gz JRBPJFZBRLYAMR-TZIWHRDSSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358028 1316527083 /nfs/dbraw/zinc/52/70/83/1316527083.db2.gz KPCQSGFYBGWEOK-CTNGQTDRSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432495 1316550358 /nfs/dbraw/zinc/55/03/58/1316550358.db2.gz QJUYVQPGJJPBSF-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506289 1316570089 /nfs/dbraw/zinc/57/00/89/1316570089.db2.gz QKGQIEDKUOYZRT-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506291 1316570352 /nfs/dbraw/zinc/57/03/52/1316570352.db2.gz QKGQIEDKUOYZRT-PZJWPPBQSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587813 1316609941 /nfs/dbraw/zinc/60/99/41/1316609941.db2.gz SIOIVEJVJNHVDX-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723419 1316665687 /nfs/dbraw/zinc/66/56/87/1316665687.db2.gz HYSSHXNWEMORQN-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724339 1316666297 /nfs/dbraw/zinc/66/62/97/1316666297.db2.gz VJNLGOWJYBGRLI-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725144 1316668087 /nfs/dbraw/zinc/66/80/87/1316668087.db2.gz KSWIGRHCUAWLSE-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778694 1316693726 /nfs/dbraw/zinc/69/37/26/1316693726.db2.gz DYXYDVDZZCHWFT-LEWJYISDSA-N 2 0 341.499 2.574 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782186 1316696473 /nfs/dbraw/zinc/69/64/73/1316696473.db2.gz SMQFBSALZVWMRN-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782233 1316696799 /nfs/dbraw/zinc/69/67/99/1316696799.db2.gz TWJWABNYUBZNSF-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001265685786 1316853909 /nfs/dbraw/zinc/85/39/09/1316853909.db2.gz CYCOVBIRXJQVCU-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125237 1316896315 /nfs/dbraw/zinc/89/63/15/1316896315.db2.gz QIJQHKDKEBNLRY-HKUYNNGSSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268678 1317065875 /nfs/dbraw/zinc/06/58/75/1317065875.db2.gz FJZYZSGZAIBICJ-AZUAARDMSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297924 1317111674 /nfs/dbraw/zinc/11/16/74/1317111674.db2.gz XXFSSVYUDPYEPI-UYAOXDASSA-N 2 0 347.547 2.996 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279145006 1317198255 /nfs/dbraw/zinc/19/82/55/1317198255.db2.gz FYXFHIOERPXETQ-UHFFFAOYSA-N 2 0 349.482 2.743 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001381259707 1348169107 /nfs/dbraw/zinc/16/91/07/1348169107.db2.gz UIMYFNJMPZLSME-NVXWUHKLSA-N 2 0 341.927 2.640 20 30 EFEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1CC ZINC001325365637 1329683315 /nfs/dbraw/zinc/68/33/15/1329683315.db2.gz JEWCVZRRRAWDOZ-VQTJNVASSA-N 2 0 343.515 2.605 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001326277001 1329743874 /nfs/dbraw/zinc/74/38/74/1329743874.db2.gz GTHYUVLOPLCEEB-UHFFFAOYSA-N 2 0 329.488 2.939 20 30 EFEDRP N#Cc1cccc(NC(=O)CC[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC001326595163 1330324864 /nfs/dbraw/zinc/32/48/64/1330324864.db2.gz ANUXTWWGMKAQEM-UHFFFAOYSA-N 2 0 328.460 2.743 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134362 1330671965 /nfs/dbraw/zinc/67/19/65/1330671965.db2.gz JTXJOEGZYHUWGE-QGZVFWFLSA-N 2 0 328.460 2.597 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134360 1330672086 /nfs/dbraw/zinc/67/20/86/1330672086.db2.gz JTXJOEGZYHUWGE-KRWDZBQOSA-N 2 0 328.460 2.597 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C(C)C ZINC001331399636 1330832841 /nfs/dbraw/zinc/83/28/41/1330832841.db2.gz PFPZAVVHWXWFFP-BZSNNMDCSA-N 2 0 336.524 2.502 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC001337896328 1331609823 /nfs/dbraw/zinc/60/98/23/1331609823.db2.gz ZYEHVSXHNVEJNL-FCGDIQPGSA-N 2 0 348.535 2.515 20 30 EFEDRP C=CCn1c([C@H]2CCCN2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339110516 1331793031 /nfs/dbraw/zinc/79/30/31/1331793031.db2.gz QFMQNNZDJVEXIN-QGZVFWFLSA-N 2 0 346.523 2.541 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001340881809 1332216958 /nfs/dbraw/zinc/21/69/58/1332216958.db2.gz TXSIRNWGPMBVGJ-HLLBOEOZSA-N 2 0 335.517 2.931 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001343560730 1332357896 /nfs/dbraw/zinc/35/78/96/1332357896.db2.gz OWNOTBZQKXKUMJ-IEBWSBKVSA-N 2 0 329.488 2.793 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001344584737 1332465019 /nfs/dbraw/zinc/46/50/19/1332465019.db2.gz VEJMRIJZNOSEPG-ZCNNSNEGSA-N 2 0 341.499 2.651 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480304866 1333596879 /nfs/dbraw/zinc/59/68/79/1333596879.db2.gz NCJOBLXPIAPSIH-QGZVFWFLSA-N 2 0 349.906 2.943 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001926091 1333752322 /nfs/dbraw/zinc/75/23/22/1333752322.db2.gz UGJFTLAUWJFHSD-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001002044410 1333982040 /nfs/dbraw/zinc/98/20/40/1333982040.db2.gz BZMBJQDSSRRMEM-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002044405 1333982111 /nfs/dbraw/zinc/98/21/11/1333982111.db2.gz BZMBJQDSSRRMEM-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506975 1334168090 /nfs/dbraw/zinc/16/80/90/1334168090.db2.gz PRVRRHJPDBWHSJ-HPUBIQBYSA-N 2 0 326.444 2.787 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100536371 1334235233 /nfs/dbraw/zinc/23/52/33/1334235233.db2.gz WQXJHYRLNVXWQE-UHFFFAOYSA-N 2 0 341.927 2.735 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200841417 1334651160 /nfs/dbraw/zinc/65/11/60/1334651160.db2.gz SJEHOKVKOSPNMM-GOSISDBHSA-N 2 0 341.515 2.993 20 30 EFEDRP CN1CC[NH+]=C1NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000849051084 1335058389 /nfs/dbraw/zinc/05/83/89/1335058389.db2.gz WBZKJOSTNZKZFE-UHFFFAOYSA-N 2 0 328.504 2.612 20 30 EFEDRP c1ccc(NC(=[NH+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)N2CCCCC2)cc1 ZINC000849073968 1335069685 /nfs/dbraw/zinc/06/96/85/1335069685.db2.gz SHJFOXQNDKZQCE-RTBURBONSA-N 2 0 342.487 2.804 20 30 EFEDRP C#Cc1cccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000849117026 1335555280 /nfs/dbraw/zinc/55/52/80/1335555280.db2.gz QETXOMSXSRIILJ-UHFFFAOYSA-N 2 0 346.478 2.946 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001366065949 1337359256 /nfs/dbraw/zinc/35/92/56/1337359256.db2.gz DFBIVGPJEGIEKW-QGZVFWFLSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366850600 1338116336 /nfs/dbraw/zinc/11/63/36/1338116336.db2.gz RWNZWOYHNZMLGF-QGZVFWFLSA-N 2 0 349.906 2.943 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001368517197 1339452284 /nfs/dbraw/zinc/45/22/84/1339452284.db2.gz DDULLULVEXGXMH-MRXNPFEDSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001375174556 1342490339 /nfs/dbraw/zinc/49/03/39/1342490339.db2.gz FVFTYYPHCMTLML-JKSUJKDBSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001375178740 1342494195 /nfs/dbraw/zinc/49/41/95/1342494195.db2.gz VVLFZNNRWPZJGC-SJORKVTESA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001375292900 1342600317 /nfs/dbraw/zinc/60/03/17/1342600317.db2.gz YWADZBRALDQTGO-JKSUJKDBSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001377671108 1344298494 /nfs/dbraw/zinc/29/84/94/1344298494.db2.gz BSTAAIJOLGQCGS-DLBZAZTESA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001377671117 1344299182 /nfs/dbraw/zinc/29/91/82/1344299182.db2.gz BSTAAIJOLGQCGS-SJORKVTESA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001379799443 1347347925 /nfs/dbraw/zinc/34/79/25/1347347925.db2.gz AJWJPLBSSMTTLV-SJORKVTESA-N 2 0 341.927 2.880 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001380084582 1347508215 /nfs/dbraw/zinc/50/82/15/1347508215.db2.gz DHRJCFTXUMMMLQ-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001380672836 1347804092 /nfs/dbraw/zinc/80/40/92/1347804092.db2.gz FCWJBKUCPQUTFQ-CRAIPNDOSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001381262902 1348171968 /nfs/dbraw/zinc/17/19/68/1348171968.db2.gz SRZAOSDTTVOCHQ-HNNXBMFYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001381462208 1348291873 /nfs/dbraw/zinc/29/18/73/1348291873.db2.gz XNUNSKBABPRRLR-GPANFISMSA-N 2 0 329.916 2.684 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001381462209 1348291767 /nfs/dbraw/zinc/29/17/67/1348291767.db2.gz XNUNSKBABPRRLR-UYSNPLJNSA-N 2 0 329.916 2.684 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001389695325 1353561392 /nfs/dbraw/zinc/56/13/92/1353561392.db2.gz RRGDEEKNUNZSMQ-QGZVFWFLSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001390152035 1353865868 /nfs/dbraw/zinc/86/58/68/1353865868.db2.gz ZOMULKNXRCRACZ-CQSZACIVSA-N 2 0 332.835 2.671 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001390616229 1354211952 /nfs/dbraw/zinc/21/19/52/1354211952.db2.gz QAKNJFAFYRCXSX-LSDHHAIUSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001390683095 1354275886 /nfs/dbraw/zinc/27/58/86/1354275886.db2.gz BDTMHBFARFCKKI-HNNXBMFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001391366534 1355134885 /nfs/dbraw/zinc/13/48/85/1355134885.db2.gz VWTAVBLRAFBHKE-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667717 1387275336 /nfs/dbraw/zinc/27/53/36/1387275336.db2.gz MZQSQJLHIVTGTA-NVXWUHKLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667724 1387275511 /nfs/dbraw/zinc/27/55/11/1387275511.db2.gz MZQSQJLHIVTGTA-WBVHZDCISA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001392170588 1355825530 /nfs/dbraw/zinc/82/55/30/1355825530.db2.gz GRQYOWJETIUURY-KRWDZBQOSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001392182376 1355836136 /nfs/dbraw/zinc/83/61/36/1355836136.db2.gz AYERYHCRTIQLLS-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197656 1355853821 /nfs/dbraw/zinc/85/38/21/1355853821.db2.gz RDRJTBUEJNQYHF-HOCLYGCPSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001393177202 1356682702 /nfs/dbraw/zinc/68/27/02/1356682702.db2.gz VHQWLLATPHDEAD-OAHLLOKOSA-N 2 0 347.906 2.637 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001402509756 1363749962 /nfs/dbraw/zinc/74/99/62/1363749962.db2.gz RPKBBBYZLPJDNM-QAQDUYKDSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060708 1387391100 /nfs/dbraw/zinc/39/11/00/1387391100.db2.gz SOMDBXJINRVAGX-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001401071614 1362410785 /nfs/dbraw/zinc/41/07/85/1362410785.db2.gz ZMFPAUAWGDPKAH-KRWDZBQOSA-N 2 0 337.895 2.731 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001401082009 1362425271 /nfs/dbraw/zinc/42/52/71/1362425271.db2.gz NHNRKDMMZTYCKJ-UHFFFAOYSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001402031704 1363343471 /nfs/dbraw/zinc/34/34/71/1363343471.db2.gz MEJVSPGOOISTQK-GOEBONIOSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001402762671 1364010525 /nfs/dbraw/zinc/01/05/25/1364010525.db2.gz BWNTVASHRQAPNY-DLBZAZTESA-N 2 0 341.927 2.926 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001403039630 1364243873 /nfs/dbraw/zinc/24/38/73/1364243873.db2.gz JIEMBGAVVUJTBK-UHFFFAOYSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001405585521 1366307193 /nfs/dbraw/zinc/30/71/93/1366307193.db2.gz ZJYHFNYFWGKDML-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001407526629 1368940325 /nfs/dbraw/zinc/94/03/25/1368940325.db2.gz BJCMQKKTKVLKOB-BRWVUGGUSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001437987710 1388298894 /nfs/dbraw/zinc/29/88/94/1388298894.db2.gz PBXLUGIOCLZUSO-MRXNPFEDSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001437993680 1388306489 /nfs/dbraw/zinc/30/64/89/1388306489.db2.gz OOCABQCIXAHKCE-UHFFFAOYSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001438430877 1388592489 /nfs/dbraw/zinc/59/24/89/1388592489.db2.gz DNXZFXARFTVJEE-KBXCAEBGSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001422045773 1379537722 /nfs/dbraw/zinc/53/77/22/1379537722.db2.gz FKGYVVARFZNNDU-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001422660041 1380520916 /nfs/dbraw/zinc/52/09/16/1380520916.db2.gz DMUUWBGGGMSXMR-HNNXBMFYSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001438763896 1388794208 /nfs/dbraw/zinc/79/42/08/1388794208.db2.gz JZESQWKQIBMGEY-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001440988377 1391006839 /nfs/dbraw/zinc/00/68/39/1391006839.db2.gz LISJRDGCYSWFDP-SJORKVTESA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001447769187 1391754361 /nfs/dbraw/zinc/75/43/61/1391754361.db2.gz DJHIIDGBTUXAJR-IAGOWNOFSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001479984744 1398069529 /nfs/dbraw/zinc/06/95/29/1398069529.db2.gz HKHMXONTWARKRX-OAHLLOKOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001494211459 1399216606 /nfs/dbraw/zinc/21/66/06/1399216606.db2.gz TXPVSFSWNSRQAE-UHFFFAOYSA-N 2 0 329.916 2.641 20 30 EFEDRP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001495093126 1399656503 /nfs/dbraw/zinc/65/65/03/1399656503.db2.gz PESIICRKEGHGEC-QZTJIDSGSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001496885749 1401076758 /nfs/dbraw/zinc/07/67/58/1401076758.db2.gz DXNIKDOUKWHQHL-HZPDHXFCSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001501092419 1403437202 /nfs/dbraw/zinc/43/72/02/1403437202.db2.gz UAMRZGFYZDBSPZ-AEFFLSMTSA-N 2 0 349.906 2.698 20 30 EFEDRP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001567744151 1416268810 /nfs/dbraw/zinc/26/88/10/1416268810.db2.gz CXPVRVAETJYUGN-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717358407 1419352700 /nfs/dbraw/zinc/35/27/00/1419352700.db2.gz XQKJDZWJOJGCPQ-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001724923493 1425136335 /nfs/dbraw/zinc/13/63/35/1425136335.db2.gz MLAUZSZFWBDMRV-IBGZPJMESA-N 2 0 329.488 2.781 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153826 712940561 /nfs/dbraw/zinc/94/05/61/712940561.db2.gz PZPGNVVFMYAGOC-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)C)CC1 ZINC000969155979 712942332 /nfs/dbraw/zinc/94/23/32/712942332.db2.gz GKSQZWNRIBHDBL-HXUWFJFHSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017378 713343954 /nfs/dbraw/zinc/34/39/54/713343954.db2.gz VMAJOIAALSWXIP-CQSZACIVSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039132664 713468221 /nfs/dbraw/zinc/46/82/21/713468221.db2.gz AUQHMKWWYYZCAS-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980211766 717910620 /nfs/dbraw/zinc/91/06/20/717910620.db2.gz HORHQWBWOXCSQR-ULQDDVLXSA-N 2 0 342.487 2.554 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723517 717923177 /nfs/dbraw/zinc/92/31/77/717923177.db2.gz WGQZWVGEHGQBJD-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980214284 717926955 /nfs/dbraw/zinc/92/69/55/717926955.db2.gz FASOLDHIAIBBDT-OTWHNJEPSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621960 714191536 /nfs/dbraw/zinc/19/15/36/714191536.db2.gz GAPMGAYPXPIVLG-MJGOQNOKSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634997 714213028 /nfs/dbraw/zinc/21/30/28/714213028.db2.gz GZJSMLGRXQCNHT-LPHOPBHVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669951 714271483 /nfs/dbraw/zinc/27/14/83/714271483.db2.gz IYUICCCBCOPWKE-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669941 714271605 /nfs/dbraw/zinc/27/16/05/714271605.db2.gz IPXYXTSLJJMWIO-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701464 714335768 /nfs/dbraw/zinc/33/57/68/714335768.db2.gz ZBKXAQVZFJUZJK-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705936 714344582 /nfs/dbraw/zinc/34/45/82/714344582.db2.gz HJOKLIZWHRXZGG-MOPGFXCFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705937 714344654 /nfs/dbraw/zinc/34/46/54/714344654.db2.gz HJOKLIZWHRXZGG-OALUTQOASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705939 714344698 /nfs/dbraw/zinc/34/46/98/714344698.db2.gz HJOKLIZWHRXZGG-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707652 714345117 /nfs/dbraw/zinc/34/51/17/714345117.db2.gz WRYLEQREZXYURC-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738502 714399257 /nfs/dbraw/zinc/39/92/57/714399257.db2.gz BQRMJCCWJMCWPZ-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845642 714479558 /nfs/dbraw/zinc/47/95/58/714479558.db2.gz LILIURFMFSXCEB-SJLPKXTDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022081788 714734892 /nfs/dbraw/zinc/73/48/92/714734892.db2.gz NKIAWNMOFNLLHD-HRCADAONSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681721 714882362 /nfs/dbraw/zinc/88/23/62/714882362.db2.gz GBVJCOCIUOKCFI-HZPDHXFCSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618112 718031095 /nfs/dbraw/zinc/03/10/95/718031095.db2.gz QGTOWGOABFZZJS-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974947243 715369872 /nfs/dbraw/zinc/36/98/72/715369872.db2.gz NXWUDZYNEBJIQT-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029466 715453796 /nfs/dbraw/zinc/45/37/96/715453796.db2.gz BIPPUMBLSMGKGX-HNAYVOBHSA-N 2 0 339.499 2.602 20 30 EFEDRP CCN(CC)c1ccc(/C=[NH+]\C2CC[NH+](CCOC)CC2)c(O)c1 ZINC000255504861 715473108 /nfs/dbraw/zinc/47/31/08/715473108.db2.gz BHNIQDNISLAFAX-HKWRFOASSA-N 2 0 333.476 2.768 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409025 715699651 /nfs/dbraw/zinc/69/96/51/715699651.db2.gz BORCQXJBNOHYLH-CVEARBPZSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411170 715705096 /nfs/dbraw/zinc/70/50/96/715705096.db2.gz NQVUVCXZNBHWAW-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[NH+]2CCCCC2)c1 ZINC000303774379 724421172 /nfs/dbraw/zinc/42/11/72/724421172.db2.gz FWOMWWVLXGLXOF-UHFFFAOYSA-N 2 0 334.464 2.697 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027461449 715891604 /nfs/dbraw/zinc/89/16/04/715891604.db2.gz ZEWBLOYIJFNTEF-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009141565 715978695 /nfs/dbraw/zinc/97/86/95/715978695.db2.gz BBVUKHMTJGMKMI-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485980 716028818 /nfs/dbraw/zinc/02/88/18/716028818.db2.gz PLJBOQNYIHOMBE-CVEARBPZSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625374 716314570 /nfs/dbraw/zinc/31/45/70/716314570.db2.gz BKOUZSYOSUWNAG-HAGHYFMRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413362 716437299 /nfs/dbraw/zinc/43/72/99/716437299.db2.gz DBJKFIGMXWXWDU-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694494 716548983 /nfs/dbraw/zinc/54/89/83/716548983.db2.gz AHSNATFUJLIUMC-IAGOWNOFSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978955550 716601396 /nfs/dbraw/zinc/60/13/96/716601396.db2.gz ZRLLVFFCAOONGR-OKYOBFRVSA-N 2 0 333.520 2.511 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553257 716616967 /nfs/dbraw/zinc/61/69/67/716616967.db2.gz YKRYGWCDRFQAGX-AZUAARDMSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647032 716766000 /nfs/dbraw/zinc/76/60/00/716766000.db2.gz SXXPIXHCGUDYJN-GOSISDBHSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978225832 716914576 /nfs/dbraw/zinc/91/45/76/716914576.db2.gz RAGIVQPKNCQUIG-OSYLJGHBSA-N 2 0 347.528 2.684 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761704 716974180 /nfs/dbraw/zinc/97/41/80/716974180.db2.gz HAYNVQAIAUTAID-SFHVURJKSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763547 716976282 /nfs/dbraw/zinc/97/62/82/716976282.db2.gz RWEXPHNGFUMXIZ-QGZVFWFLSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978408197 717050713 /nfs/dbraw/zinc/05/07/13/717050713.db2.gz IBQNBBHSACSCSO-LDLYASANSA-N 2 0 338.455 2.517 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704081 717129725 /nfs/dbraw/zinc/12/97/25/717129725.db2.gz NBSYGTGAIUXXPG-QUCCMNQESA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484863 717326577 /nfs/dbraw/zinc/32/65/77/717326577.db2.gz CPMFBERISZXATL-IAGOWNOFSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC000979781293 717426696 /nfs/dbraw/zinc/42/66/96/717426696.db2.gz YMCAJWYNQVJZDW-XIRDDKMYSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000985472805 724445964 /nfs/dbraw/zinc/44/59/64/724445964.db2.gz JHKIZBTVMAIKCN-MRXNPFEDSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982118 717766436 /nfs/dbraw/zinc/76/64/36/717766436.db2.gz NSKMHVZUBNHELC-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001024469109 717775393 /nfs/dbraw/zinc/77/53/93/717775393.db2.gz UXIAUSBGHOGLSV-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980143880 717791096 /nfs/dbraw/zinc/79/10/96/717791096.db2.gz OBXNIPMBEVKFMM-JQHSSLGASA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980143886 717791202 /nfs/dbraw/zinc/79/12/02/717791202.db2.gz OBXNIPMBEVKFMM-RYQLBKOJSA-N 2 0 338.455 2.741 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024486698 717810875 /nfs/dbraw/zinc/81/08/75/717810875.db2.gz GATDDYKAQHJXHG-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520354 717855343 /nfs/dbraw/zinc/85/53/43/717855343.db2.gz IWAXWUAUDDSRCR-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980188866 717877540 /nfs/dbraw/zinc/87/75/40/717877540.db2.gz UKTPPTDKRFAJAM-ZCNNSNEGSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024645430 718057462 /nfs/dbraw/zinc/05/74/62/718057462.db2.gz ADLMOQVBPYZYCT-CVEARBPZSA-N 2 0 330.476 2.767 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000981091595 718114840 /nfs/dbraw/zinc/11/48/40/718114840.db2.gz OQXWAASZKOMZTO-SJORKVTESA-N 2 0 326.444 2.849 20 30 EFEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024819275 718176563 /nfs/dbraw/zinc/17/65/63/718176563.db2.gz NMHBKJTVYIQYOJ-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241324 718461204 /nfs/dbraw/zinc/46/12/04/718461204.db2.gz WIVGWWJDJIRDHF-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244563 718463359 /nfs/dbraw/zinc/46/33/59/718463359.db2.gz WIVMYQMFJBECCL-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258820 718475136 /nfs/dbraw/zinc/47/51/36/718475136.db2.gz JIZLOWIBGGIYAO-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266084 718486785 /nfs/dbraw/zinc/48/67/85/718486785.db2.gz IYRWOIUDXIOLPK-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260581 718488204 /nfs/dbraw/zinc/48/82/04/718488204.db2.gz YNDCDUYOSJPVOX-OALUTQOASA-N 2 0 345.531 2.730 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260711 718488636 /nfs/dbraw/zinc/48/86/36/718488636.db2.gz YWJBBGAZVWISGM-RTBURBONSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287650 718524059 /nfs/dbraw/zinc/52/40/59/718524059.db2.gz FNVAWIIYBOPJIT-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287823 718524937 /nfs/dbraw/zinc/52/49/37/718524937.db2.gz GVEBFQFGSPSRMB-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289764 718530059 /nfs/dbraw/zinc/53/00/59/718530059.db2.gz SBUDQHXDJVBNFX-RTBURBONSA-N 2 0 344.503 2.774 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@H+]2CCC)CC1 ZINC001025301865 718540602 /nfs/dbraw/zinc/54/06/02/718540602.db2.gz QHECIZMFLACXOX-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301853 718540798 /nfs/dbraw/zinc/54/07/98/718540798.db2.gz QGIUDYVGJCLVDE-UXHICEINSA-N 2 0 345.531 2.731 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300767 718546832 /nfs/dbraw/zinc/54/68/32/718546832.db2.gz FCYPRTKDOKOZGN-RTBURBONSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238007 718547322 /nfs/dbraw/zinc/54/73/22/718547322.db2.gz DVMZOMBOCRBHMO-OALUTQOASA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330193 718631790 /nfs/dbraw/zinc/63/17/90/718631790.db2.gz ADBHDPIWSAAQIO-IBGZPJMESA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330196 718632044 /nfs/dbraw/zinc/63/20/44/718632044.db2.gz ADBHDPIWSAAQIO-LJQANCHMSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981342088 718641533 /nfs/dbraw/zinc/64/15/33/718641533.db2.gz YYPLQSGTUJDREP-RBUKOAKNSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981381898 718670020 /nfs/dbraw/zinc/67/00/20/718670020.db2.gz KBGIHUYOJNEZMP-RBUKOAKNSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981538713 718797740 /nfs/dbraw/zinc/79/77/40/718797740.db2.gz RQNSTHIJVQPUOC-MOPGFXCFSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420377 718799380 /nfs/dbraw/zinc/79/93/80/718799380.db2.gz AWHMVICDFJDRAN-WBVHZDCISA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450947 718881380 /nfs/dbraw/zinc/88/13/80/718881380.db2.gz OBTBYRKXKAYQEJ-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450948 718881436 /nfs/dbraw/zinc/88/14/36/718881436.db2.gz OBTBYRKXKAYQEJ-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000985522018 724543172 /nfs/dbraw/zinc/54/31/72/724543172.db2.gz WRHLNRRLWZLFBS-UHFFFAOYSA-N 2 0 332.835 2.623 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460429 718913106 /nfs/dbraw/zinc/91/31/06/718913106.db2.gz IAISRANFXFQURG-GDBMZVCRSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469454 718952276 /nfs/dbraw/zinc/95/22/76/718952276.db2.gz PHIXOXIPONGTAM-JKSUJKDBSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474011 718961121 /nfs/dbraw/zinc/96/11/21/718961121.db2.gz IDJHRGUWTZNLBN-DOTOQJQBSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515709 719052151 /nfs/dbraw/zinc/05/21/51/719052151.db2.gz MNQXGPUFLIOSJQ-JKSUJKDBSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813562 719062058 /nfs/dbraw/zinc/06/20/58/719062058.db2.gz MMLYBVNGMPIGQN-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557353 719124141 /nfs/dbraw/zinc/12/41/41/719124141.db2.gz GUCYBZOZDFNFNC-FXAWDEMLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861405 719139975 /nfs/dbraw/zinc/13/99/75/719139975.db2.gz OZZPUURRKGFVON-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590770 719176388 /nfs/dbraw/zinc/17/63/88/719176388.db2.gz RJIZKPOQINORRR-YLJYHZDGSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472442 719178148 /nfs/dbraw/zinc/17/81/48/719178148.db2.gz HFIDTSHXTDJWBO-SESVDKBCSA-N 2 0 347.547 2.855 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631341 719259298 /nfs/dbraw/zinc/25/92/98/719259298.db2.gz ZRYQZMIEAXOLBW-QUCCMNQESA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062670 719516543 /nfs/dbraw/zinc/51/65/43/719516543.db2.gz BIFLOLUXVCPJHZ-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062640 719517090 /nfs/dbraw/zinc/51/70/90/719517090.db2.gz APEHLYYSBUZCSE-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110622 719569087 /nfs/dbraw/zinc/56/90/87/719569087.db2.gz VWGUQMBURIEEMM-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982115793 719572888 /nfs/dbraw/zinc/57/28/88/719572888.db2.gz BMFRWFROVBQINI-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)CN1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162631 719606681 /nfs/dbraw/zinc/60/66/81/719606681.db2.gz XBQJVBHNJWQVFJ-HOTGVXAUSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163458 719607722 /nfs/dbraw/zinc/60/77/22/719607722.db2.gz BRALUZVWKGMKJQ-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163848 719608902 /nfs/dbraw/zinc/60/89/02/719608902.db2.gz ZBOKWUGXNCQAKC-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164536 719609628 /nfs/dbraw/zinc/60/96/28/719609628.db2.gz QIKFFDCOUZSWBX-IBGZPJMESA-N 2 0 341.499 2.790 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300337 719855006 /nfs/dbraw/zinc/85/50/06/719855006.db2.gz WDZTZXMDWSUMDH-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982301533 719856737 /nfs/dbraw/zinc/85/67/37/719856737.db2.gz REMFFKBTEYCQEM-YSIASYRMSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306342 719874469 /nfs/dbraw/zinc/87/44/69/719874469.db2.gz PQRFDRYTEPXNLM-JYRKZWEQSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982306336 719875418 /nfs/dbraw/zinc/87/54/18/719875418.db2.gz PQRFDRYTEPXNLM-IZZBFERCSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(Cl)CN1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335300 720384584 /nfs/dbraw/zinc/38/45/84/720384584.db2.gz RPNPWPMGAKZWQN-MRXNPFEDSA-N 2 0 335.879 2.695 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]12 ZINC001026429005 720562503 /nfs/dbraw/zinc/56/25/03/720562503.db2.gz QAFFEBARGHNGGV-KBAYOESNSA-N 2 0 345.487 2.748 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3occc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982491854 720566142 /nfs/dbraw/zinc/56/61/42/720566142.db2.gz MPTHOPVCIQFLOF-BGYRXZFFSA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986469041 724691962 /nfs/dbraw/zinc/69/19/62/724691962.db2.gz YMNXOZWMSJHXAH-XJKSGUPXSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001026506845 720684114 /nfs/dbraw/zinc/68/41/14/720684114.db2.gz GYLIWGVSUXWPCZ-FAFZWHIHSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001026558729 720750499 /nfs/dbraw/zinc/75/04/99/720750499.db2.gz SVVOHZARQQDJGM-UHFFFAOYSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618301 720953480 /nfs/dbraw/zinc/95/34/80/720953480.db2.gz UPBPPOVFDDBZMM-SESVDKBCSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624000 720959811 /nfs/dbraw/zinc/95/98/11/720959811.db2.gz NWODZZKVRNMYDJ-NRSPTQNISA-N 2 0 347.547 2.996 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195290688 721117318 /nfs/dbraw/zinc/11/73/18/721117318.db2.gz OGQRPLANGVHXFV-FQEVSTJZSA-N 2 0 336.483 2.656 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725914 721131856 /nfs/dbraw/zinc/13/18/56/721131856.db2.gz QNWBRUDOOHOOTN-JYRKZWEQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650317 721239798 /nfs/dbraw/zinc/23/97/98/721239798.db2.gz IPXOMKIQRZMMIR-ROUUACIJSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675316 721266035 /nfs/dbraw/zinc/26/60/35/721266035.db2.gz CGLPSHMOQHYVSC-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000985643339 724746415 /nfs/dbraw/zinc/74/64/15/724746415.db2.gz QFBJVVZILNXUFW-AWEZNQCLSA-N 2 0 336.867 2.505 20 30 EFEDRP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677645 721270803 /nfs/dbraw/zinc/27/08/03/721270803.db2.gz FTWUFXFRTGOPQD-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830848 721301515 /nfs/dbraw/zinc/30/15/15/721301515.db2.gz BCBFCAHOEVPXJB-TZRIAGMCSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709793 721876366 /nfs/dbraw/zinc/87/63/66/721876366.db2.gz DPGVTYXHYGHMKZ-SFHVURJKSA-N 2 0 343.515 2.809 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755189 721936203 /nfs/dbraw/zinc/93/62/03/721936203.db2.gz IJVPVEJHFQCEST-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756015 721937828 /nfs/dbraw/zinc/93/78/28/721937828.db2.gz ZFBSIRYPTVJJIT-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919448 722096891 /nfs/dbraw/zinc/09/68/91/722096891.db2.gz XJUQRWOPEITJPA-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029012220 722633596 /nfs/dbraw/zinc/63/35/96/722633596.db2.gz IWTIAVAQBNWGFY-MRXNPFEDSA-N 2 0 333.476 2.749 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@H]1C ZINC000262025043 722728739 /nfs/dbraw/zinc/72/87/39/722728739.db2.gz ZFJXPDUCUXVMIJ-HUUCEWRRSA-N 2 0 346.475 2.837 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000939148066 728772348 /nfs/dbraw/zinc/77/23/48/728772348.db2.gz RHEWQCANTLSVSO-KBXCAEBGSA-N 2 0 349.906 2.593 20 30 EFEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863557 722913165 /nfs/dbraw/zinc/91/31/65/722913165.db2.gz IEXMHQPISIHYBW-TZIWHRDSSA-N 2 0 325.500 2.899 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985432560 724342565 /nfs/dbraw/zinc/34/25/65/724342565.db2.gz GPVDOBVRLZZCDN-MRXNPFEDSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985745825 724850756 /nfs/dbraw/zinc/85/07/56/724850756.db2.gz IHMZKLAEIPBJFH-FQEVSTJZSA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985752041 724857290 /nfs/dbraw/zinc/85/72/90/724857290.db2.gz QUSYAJRYWDCTNQ-NVXWUHKLSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000986962842 724993735 /nfs/dbraw/zinc/99/37/35/724993735.db2.gz UOYXZRTXZHZSDA-VQIMIIECSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009007 725459868 /nfs/dbraw/zinc/45/98/68/725459868.db2.gz FIOLDUJAUATEAY-CMKODMSKSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169972 725585050 /nfs/dbraw/zinc/58/50/50/725585050.db2.gz HJKBYHCFPLFINA-YLJYHZDGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276813 725666241 /nfs/dbraw/zinc/66/62/41/725666241.db2.gz BGKAWJXVNXZPQN-QUCCMNQESA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992366605 725749582 /nfs/dbraw/zinc/74/95/82/725749582.db2.gz GDNOBKCEFOOGHG-AZUAARDMSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992404778 725781041 /nfs/dbraw/zinc/78/10/41/725781041.db2.gz MMVCXWKBNJYLGX-PZJWPPBQSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC000992694189 726115378 /nfs/dbraw/zinc/11/53/78/726115378.db2.gz RGPUSHSQQPQQGO-RCCFBDPRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC000992740593 726153404 /nfs/dbraw/zinc/15/34/04/726153404.db2.gz LYIZMLPVTHGOSE-BHIYHBOVSA-N 2 0 338.455 2.741 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057808 726181196 /nfs/dbraw/zinc/18/11/96/726181196.db2.gz ZGJUYXBXWHTDCH-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC000992781282 726210317 /nfs/dbraw/zinc/21/03/17/726210317.db2.gz VGVSBJIEOMWMCG-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992839161 726292030 /nfs/dbraw/zinc/29/20/30/726292030.db2.gz UNOZZVSPZOKXCM-CEXWTWQISA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC000992858446 726308340 /nfs/dbraw/zinc/30/83/40/726308340.db2.gz ZTLMCVZUVLQPSS-GUDVDZBRSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC000992860598 726309931 /nfs/dbraw/zinc/30/99/31/726309931.db2.gz OANKJQYPWHEJLG-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC000992929053 726344791 /nfs/dbraw/zinc/34/47/91/726344791.db2.gz DPQVKIGZOHMYHB-YZGWKJHDSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535374 727300336 /nfs/dbraw/zinc/30/03/36/727300336.db2.gz JKSXWGBMPPOLIQ-YJBOKZPZSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993811549 727527842 /nfs/dbraw/zinc/52/78/42/727527842.db2.gz ZJYFEYZCGJRWDF-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993811554 727527952 /nfs/dbraw/zinc/52/79/52/727527952.db2.gz ZJYFEYZCGJRWDF-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994471550 727762583 /nfs/dbraw/zinc/76/25/83/727762583.db2.gz LGFOVAHEIDDLTM-RDJZCZTQSA-N 2 0 333.476 2.890 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503550 727772889 /nfs/dbraw/zinc/77/28/89/727772889.db2.gz WDXWTPNCQIHFNE-MJGOQNOKSA-N 2 0 347.547 2.737 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000170909621 728494295 /nfs/dbraw/zinc/49/42/95/728494295.db2.gz OQXNMELUQXLKGF-BEFAXECRSA-N 2 0 332.492 2.610 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829348 728530686 /nfs/dbraw/zinc/53/06/86/728530686.db2.gz LAAQCRIIUKUKBM-RBUKOAKNSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806958 729130042 /nfs/dbraw/zinc/13/00/42/729130042.db2.gz PWHFUZUAOVQTBH-DYVFJYSZSA-N 2 0 335.879 2.551 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069852 729466639 /nfs/dbraw/zinc/46/66/39/729466639.db2.gz LAZWPDRVPRSGJA-PKOBYXMFSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069845 729467803 /nfs/dbraw/zinc/46/78/03/729467803.db2.gz LAZWPDRVPRSGJA-IEBWSBKVSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874735 729511602 /nfs/dbraw/zinc/51/16/02/729511602.db2.gz KMAQTGNKMQJITC-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001569910971 1085751984 /nfs/dbraw/zinc/75/19/84/1085751984.db2.gz YHXYVBNXHOYVNJ-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001574835729 1088114780 /nfs/dbraw/zinc/11/47/80/1088114780.db2.gz FLBGZMZBUCHIKO-MOPGFXCFSA-N 2 0 332.492 2.611 20 30 EFEDRP C=CC1(CC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C[NH2+]C1 ZINC001574880177 1088135064 /nfs/dbraw/zinc/13/50/64/1088135064.db2.gz PLQPFLJGZMJLSY-UHFFFAOYSA-N 2 0 341.499 2.700 20 30 EFEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892506 1088141280 /nfs/dbraw/zinc/14/12/80/1088141280.db2.gz DQVZLTUDPMODEM-YFVAEKQCSA-N 2 0 341.499 2.712 20 30 EFEDRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001579691840 1090662886 /nfs/dbraw/zinc/66/28/86/1090662886.db2.gz JHYKKRUOZQMBJT-KRWDZBQOSA-N 2 0 328.460 2.941 20 30 EFEDRP Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961669 1090733300 /nfs/dbraw/zinc/73/33/00/1090733300.db2.gz PRMSDQGMKNGCCS-PZJWPPBQSA-N 2 0 349.482 2.910 20 30 EFEDRP Cn1cc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961670 1090733779 /nfs/dbraw/zinc/73/37/79/1090733779.db2.gz PRMSDQGMKNGCCS-TZIWHRDSSA-N 2 0 349.482 2.910 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+]C3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001580075589 1090765053 /nfs/dbraw/zinc/76/50/53/1090765053.db2.gz DUQWXTYDVMKQEN-UHFFFAOYSA-N 2 0 338.499 2.644 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204888 1092693890 /nfs/dbraw/zinc/69/38/90/1092693890.db2.gz WKIDIBCBCFADCB-DLBZAZTESA-N 2 0 333.520 2.702 20 30 EFEDRP CC1(C)CC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC(C)(C)[NH2+]1 ZINC001649840548 1092732539 /nfs/dbraw/zinc/73/25/39/1092732539.db2.gz FOSBQHBGIHJYBQ-UHFFFAOYSA-N 2 0 328.460 2.786 20 30 EFEDRP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001075454361 1093048961 /nfs/dbraw/zinc/04/89/61/1093048961.db2.gz RPNDMYBNUDDOMH-ICSRJNTNSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112515049 1093191966 /nfs/dbraw/zinc/19/19/66/1093191966.db2.gz TXMBXISJOBYCMF-BJLQDIEVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001104440365 1093243901 /nfs/dbraw/zinc/24/39/01/1093243901.db2.gz BCRCDJOSYVQEHL-FGTMMUONSA-N 2 0 346.519 2.782 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449906 1093280160 /nfs/dbraw/zinc/28/01/60/1093280160.db2.gz MPZYWVCGZNALPW-RLLQIKCJSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461326 1093314481 /nfs/dbraw/zinc/31/44/81/1093314481.db2.gz CRIPNYQTSGJLSC-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461667 1093327117 /nfs/dbraw/zinc/32/71/17/1093327117.db2.gz NUXVQSRKUURVMA-OALUTQOASA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104594623 1094386303 /nfs/dbraw/zinc/38/63/03/1094386303.db2.gz BGKVVMHRUXMCCE-HZPDHXFCSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595619 1094388455 /nfs/dbraw/zinc/38/84/55/1094388455.db2.gz WENLVPPBWPOHHW-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211623582 1094394297 /nfs/dbraw/zinc/39/42/97/1094394297.db2.gz MCZDTCPXGZHWLD-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167710665 1094430973 /nfs/dbraw/zinc/43/09/73/1094430973.db2.gz KUEKLWCQYUAFMR-IBGZPJMESA-N 2 0 341.499 2.579 20 30 EFEDRP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625711 1094458301 /nfs/dbraw/zinc/45/83/01/1094458301.db2.gz ZXWFOQHEDAEUQG-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104624460 1094460574 /nfs/dbraw/zinc/46/05/74/1094460574.db2.gz WHEIKULFWOCTHP-ZHALLVOQSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2ccnc2)C1 ZINC001112021567 1094702461 /nfs/dbraw/zinc/70/24/61/1094702461.db2.gz VBPZTJSYILSDPA-HKUYNNGSSA-N 2 0 330.476 2.600 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529769 1094754135 /nfs/dbraw/zinc/75/41/35/1094754135.db2.gz OMCLHRCERABJFP-BJLQDIEVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303009 1095160040 /nfs/dbraw/zinc/16/00/40/1095160040.db2.gz FCMFBYRPJWQFHX-NXHRZFHOSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307338 1095203697 /nfs/dbraw/zinc/20/36/97/1095203697.db2.gz YDPDOMGZMXGASY-RLLQIKCJSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@@H]21 ZINC001087309720 1095234567 /nfs/dbraw/zinc/23/45/67/1095234567.db2.gz KTELEVLPSVQNDR-ZTFGCOKTSA-N 2 0 330.476 2.524 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309098 1095234870 /nfs/dbraw/zinc/23/48/70/1095234870.db2.gz ANFQOAOXHCIGKX-MISYRCLQSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309888 1095238444 /nfs/dbraw/zinc/23/84/44/1095238444.db2.gz NIYJQQFHDDMZEJ-QRQLOZEOSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317680 1095318898 /nfs/dbraw/zinc/31/88/98/1095318898.db2.gz LHKCFQADBHQOHJ-NZSAHSFTSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957184 1095779247 /nfs/dbraw/zinc/77/92/47/1095779247.db2.gz FUPCEHXGWNXTFA-LJQANCHMSA-N 2 0 339.499 2.699 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981957964 1095795135 /nfs/dbraw/zinc/79/51/35/1095795135.db2.gz ANMFZAWIVGVDKL-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001481949741 1096987885 /nfs/dbraw/zinc/98/78/85/1096987885.db2.gz AJYYRZMPCSMENN-LJQANCHMSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481956639 1096994702 /nfs/dbraw/zinc/99/47/02/1096994702.db2.gz BAWCJTQLHPOMRT-RDTXWAMCSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001104895265 1098933053 /nfs/dbraw/zinc/93/30/53/1098933053.db2.gz WHHBVBOMTDVOBK-OPYAIIAOSA-N 2 0 343.515 2.724 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001104895263 1098933796 /nfs/dbraw/zinc/93/37/96/1098933796.db2.gz WHHBVBOMTDVOBK-DBXWQHBBSA-N 2 0 343.515 2.724 20 30 EFEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115560151 1099346908 /nfs/dbraw/zinc/34/69/08/1099346908.db2.gz SQIZNWQPLYMZFB-INIZCTEOSA-N 2 0 327.488 2.651 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742227 1099461163 /nfs/dbraw/zinc/46/11/63/1099461163.db2.gz HXZOSCSYDMLFAE-QZTJIDSGSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742229 1099461570 /nfs/dbraw/zinc/46/15/70/1099461570.db2.gz HXZOSCSYDMLFAE-ZWKOTPCHSA-N 2 0 335.536 2.949 20 30 EFEDRP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001267827693 1099477208 /nfs/dbraw/zinc/47/72/08/1099477208.db2.gz MDVROXDNMGTFGM-MSOLQXFVSA-N 2 0 349.906 2.516 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062469 1099527476 /nfs/dbraw/zinc/52/74/76/1099527476.db2.gz SHAUHLACUVAMFT-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105066941 1099546690 /nfs/dbraw/zinc/54/66/90/1099546690.db2.gz GZZNSXSJWAEOLO-AQNXPRMDSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCOCc1nn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2c1C[NH2+]C2 ZINC001167986643 1099558758 /nfs/dbraw/zinc/55/87/58/1099558758.db2.gz HQJVIRNRCNFMPV-SJPCQFCGSA-N 2 0 342.487 2.767 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494500 1100028169 /nfs/dbraw/zinc/02/81/69/1100028169.db2.gz RVNXWWDGFGMBSS-AOCRQIFASA-N 2 0 333.520 2.844 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164801 1100490516 /nfs/dbraw/zinc/49/05/16/1100490516.db2.gz RYWFHXFCXUNGAP-RBSFLKMASA-N 2 0 349.441 2.662 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573072 1100540329 /nfs/dbraw/zinc/54/03/29/1100540329.db2.gz RPJINMKZRFOWDS-YZGWKJHDSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105395592 1100555402 /nfs/dbraw/zinc/55/54/02/1100555402.db2.gz AQIDTHDUIDLPPD-HXUWFJFHSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395668 1100557604 /nfs/dbraw/zinc/55/76/04/1100557604.db2.gz CNFYZPNLFPLTAT-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@H]1CC ZINC001087660962 1100637164 /nfs/dbraw/zinc/63/71/64/1100637164.db2.gz MFITYWOPORGJGS-ZWKOTPCHSA-N 2 0 344.503 2.697 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791171 1100773911 /nfs/dbraw/zinc/77/39/11/1100773911.db2.gz ZPJJULGWSQHIFE-RBUKOAKNSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840512 1100855906 /nfs/dbraw/zinc/85/59/06/1100855906.db2.gz AHRMKQBBSWVBBE-RBUKOAKNSA-N 2 0 329.488 2.907 20 30 EFEDRP C#CCOCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031521 1100933780 /nfs/dbraw/zinc/93/37/80/1100933780.db2.gz ZPSYHDASXNKDRS-CEQLMSFQSA-N 2 0 344.499 2.684 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967397 1101097501 /nfs/dbraw/zinc/09/75/01/1101097501.db2.gz VDRMPZGGIQGRSH-QRVBRYPASA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001482477898 1101142323 /nfs/dbraw/zinc/14/23/23/1101142323.db2.gz DLIGSDSEHCWZKZ-WBVHZDCISA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992251 1101165811 /nfs/dbraw/zinc/16/58/11/1101165811.db2.gz LPGGVQRUNGFIJH-AABGKKOBSA-N 2 0 347.547 2.711 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999596 1101174872 /nfs/dbraw/zinc/17/48/72/1101174872.db2.gz SYQFULOKLCMRCT-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426591 1101584069 /nfs/dbraw/zinc/58/40/69/1101584069.db2.gz UVBMWBCFBRSKJY-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426614 1101585904 /nfs/dbraw/zinc/58/59/04/1101585904.db2.gz VNORCZFTNAEWPA-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212796 1101892379 /nfs/dbraw/zinc/89/23/79/1101892379.db2.gz QUIMNFPOGMZVMX-AABGKKOBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952147 1102230060 /nfs/dbraw/zinc/23/00/60/1102230060.db2.gz AFOFGRUHZFHUDK-KRWDZBQOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476824 1102230496 /nfs/dbraw/zinc/23/04/96/1102230496.db2.gz OVAVVPNPZMFUHL-MRXNPFEDSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492777 1102267250 /nfs/dbraw/zinc/26/72/50/1102267250.db2.gz FHZCSWVKWDTURU-WMLDXEAASA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104286587 1102578432 /nfs/dbraw/zinc/57/84/32/1102578432.db2.gz FOIVABQELHLEMB-GUDVDZBRSA-N 2 0 335.536 2.615 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104286588 1102578480 /nfs/dbraw/zinc/57/84/80/1102578480.db2.gz FOIVABQELHLEMB-QRVBRYPASA-N 2 0 335.536 2.615 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287007 1102579866 /nfs/dbraw/zinc/57/98/66/1102579866.db2.gz QIBKOVMFXSAIPU-GUDVDZBRSA-N 2 0 335.536 2.615 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311850 1102841745 /nfs/dbraw/zinc/84/17/45/1102841745.db2.gz IKOXEJJUKFMQLD-IAGOWNOFSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311849 1102842903 /nfs/dbraw/zinc/84/29/03/1102842903.db2.gz IKOXEJJUKFMQLD-DLBZAZTESA-N 2 0 341.927 2.973 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294720 1102879744 /nfs/dbraw/zinc/87/97/44/1102879744.db2.gz YOWFBAQGCSWVNA-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001088324973 1102924992 /nfs/dbraw/zinc/92/49/92/1102924992.db2.gz DYRHHLSCFOSKDM-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088329902 1102942022 /nfs/dbraw/zinc/94/20/22/1102942022.db2.gz KAVHGDZSZVDRBG-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336350 1102996357 /nfs/dbraw/zinc/99/63/57/1102996357.db2.gz BNRBEAOWLVZWRN-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001088347476 1103069431 /nfs/dbraw/zinc/06/94/31/1103069431.db2.gz RIIVTYFVVDRJHR-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991065341 1103402110 /nfs/dbraw/zinc/40/21/10/1103402110.db2.gz FKRCHUJTAUCLEG-QWFCFKBJSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430002 1103575186 /nfs/dbraw/zinc/57/51/86/1103575186.db2.gz FWVAOKYJOUJNIP-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001105427457 1103751819 /nfs/dbraw/zinc/75/18/19/1103751819.db2.gz MVTIDYBKFAZDSM-IRFCIJBXSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001105435584 1104009838 /nfs/dbraw/zinc/00/98/38/1104009838.db2.gz UFNDQHQMJHXUJV-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001105438646 1104098777 /nfs/dbraw/zinc/09/87/77/1104098777.db2.gz MVTIDYBKFAZDSM-SBHAEUEKSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001101545529 1104223643 /nfs/dbraw/zinc/22/36/43/1104223643.db2.gz ACXTXOVTZCAQEH-KRWDZBQOSA-N 2 0 341.515 2.707 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168200935 1104475999 /nfs/dbraw/zinc/47/59/99/1104475999.db2.gz YMWAEYUOAAXTDU-UHFFFAOYSA-N 2 0 341.927 2.881 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569126 1104582850 /nfs/dbraw/zinc/58/28/50/1104582850.db2.gz HVVYMRLCQXVMEK-AOIWGVFYSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989074041 1105475562 /nfs/dbraw/zinc/47/55/62/1105475562.db2.gz IUGPSYOPJCPUDE-OCCSQVGLSA-N 2 0 332.835 2.588 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105560878 1105938379 /nfs/dbraw/zinc/93/83/79/1105938379.db2.gz FBCQGSBESFYYSE-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576552 1105964151 /nfs/dbraw/zinc/96/41/51/1105964151.db2.gz HFJOZZWOAUSBSI-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576710 1105964474 /nfs/dbraw/zinc/96/44/74/1105964474.db2.gz LQLKBORUAZIVRH-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579915 1105974856 /nfs/dbraw/zinc/97/48/56/1105974856.db2.gz YZAIRWNTFFGEAO-IBGZPJMESA-N 2 0 345.531 2.637 20 30 EFEDRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001168305561 1106475636 /nfs/dbraw/zinc/47/56/36/1106475636.db2.gz MZAVZMJFQYJJNY-UHFFFAOYSA-N 2 0 340.515 2.985 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC/C=C/CC)CC2)CC1 ZINC001168307905 1106522371 /nfs/dbraw/zinc/52/23/71/1106522371.db2.gz MDOSGHUEQOETIB-AATRIKPKSA-N 2 0 345.531 2.564 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989730004 1106602917 /nfs/dbraw/zinc/60/29/17/1106602917.db2.gz JKABRFYFRXGRLK-UHFFFAOYSA-N 2 0 329.488 2.862 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCC([NH+](C)C)CC3)C2)C1 ZINC001168313360 1106603290 /nfs/dbraw/zinc/60/32/90/1106603290.db2.gz AFSSRIFLJUNSKU-QLOJAFMTSA-N 2 0 349.519 2.970 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000989845712 1106709882 /nfs/dbraw/zinc/70/98/82/1106709882.db2.gz YROOAJNKNKJRJV-HZPDHXFCSA-N 2 0 333.476 2.890 20 30 EFEDRP C[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000086879068 1106747675 /nfs/dbraw/zinc/74/76/75/1106747675.db2.gz ZVAKLEFBZUXCPD-UHFFFAOYSA-N 2 0 338.565 2.702 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327114 1106874847 /nfs/dbraw/zinc/87/48/47/1106874847.db2.gz QNKBFMQOVZSOAG-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896965 1106947500 /nfs/dbraw/zinc/94/75/00/1106947500.db2.gz LHDLIJQUNFEQJY-PMPSAXMXSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922430 1107018590 /nfs/dbraw/zinc/01/85/90/1107018590.db2.gz KQPMQIJCKVKGLD-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000089072698 1107067773 /nfs/dbraw/zinc/06/77/73/1107067773.db2.gz IRCKVNPHJDVCOZ-MRXNPFEDSA-N 2 0 349.548 2.643 20 30 EFEDRP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079469 1107279616 /nfs/dbraw/zinc/27/96/16/1107279616.db2.gz DGLOSTNGRSPONE-KZNAEPCWSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658868 1108624488 /nfs/dbraw/zinc/62/44/88/1108624488.db2.gz JXVQGXOIQVFJHE-SLYNCCJLSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106143232 1108643275 /nfs/dbraw/zinc/64/32/75/1108643275.db2.gz YVIUNBQZLFWZJU-RLLQIKCJSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040282698 1108695960 /nfs/dbraw/zinc/69/59/60/1108695960.db2.gz YMEAEFMSCWTOSF-IBGZPJMESA-N 2 0 331.504 2.505 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106350077 1111442861 /nfs/dbraw/zinc/44/28/61/1111442861.db2.gz WWZFFVWTVSRHFG-IAGOWNOFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106358147 1111455454 /nfs/dbraw/zinc/45/54/54/1111455454.db2.gz WDEUTBXEDAYXEM-OIISXLGYSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106570837 1111641741 /nfs/dbraw/zinc/64/17/41/1111641741.db2.gz ATLMASDTNRLMTN-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571012 1111641809 /nfs/dbraw/zinc/64/18/09/1111641809.db2.gz JIDQSCAMSIECOE-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591519 1111655964 /nfs/dbraw/zinc/65/59/64/1111655964.db2.gz DHKXMQCTXRQABS-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001106667201 1111710029 /nfs/dbraw/zinc/71/00/29/1111710029.db2.gz NTRNKJKMLCKJNO-YLJYHZDGSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729171 1111770663 /nfs/dbraw/zinc/77/06/63/1111770663.db2.gz LCJRVVXCECGEHA-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106778304 1111825253 /nfs/dbraw/zinc/82/52/53/1111825253.db2.gz GCBPLXPDSKWADI-DJIMGWMZSA-N 2 0 343.943 2.789 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106866209 1111928996 /nfs/dbraw/zinc/92/89/96/1111928996.db2.gz ZWMWKSPDYRKDEE-QRQLOZEOSA-N 2 0 329.488 2.550 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386987 1112052040 /nfs/dbraw/zinc/05/20/40/1112052040.db2.gz WFLIMJPMHYGVTD-GOSISDBHSA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403364 1112073527 /nfs/dbraw/zinc/07/35/27/1112073527.db2.gz RLCKEAXTVJHPKW-RBUKOAKNSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407225 1112080014 /nfs/dbraw/zinc/08/00/14/1112080014.db2.gz XIIYWNFJVWZICO-OALUTQOASA-N 2 0 347.547 2.879 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2cnccc2OC)CC(C)(C)C1 ZINC001089416459 1112095416 /nfs/dbraw/zinc/09/54/16/1112095416.db2.gz MHSINUQGXADQSX-QGZVFWFLSA-N 2 0 345.487 2.816 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427150 1112116945 /nfs/dbraw/zinc/11/69/45/1112116945.db2.gz OLQOHMVZCOXYJD-MOPGFXCFSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428506 1112119785 /nfs/dbraw/zinc/11/97/85/1112119785.db2.gz YPPXYSBLCOOIMM-RBUKOAKNSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486537 1112221344 /nfs/dbraw/zinc/22/13/44/1112221344.db2.gz ACGMLMTZSZQOCS-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509072 1112251494 /nfs/dbraw/zinc/25/14/94/1112251494.db2.gz DSFBSCDHSYWMNW-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509474 1112251845 /nfs/dbraw/zinc/25/18/45/1112251845.db2.gz HRYODMHIBROPNW-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509889 1112259672 /nfs/dbraw/zinc/25/96/72/1112259672.db2.gz KHTIORLFDUYLLB-RTBURBONSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527255 1112271016 /nfs/dbraw/zinc/27/10/16/1112271016.db2.gz LQLJVQVEEFXBTQ-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536306 1112275518 /nfs/dbraw/zinc/27/55/18/1112275518.db2.gz BBOXWZDQRKHCDU-CVEARBPZSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641277 1112432085 /nfs/dbraw/zinc/43/20/85/1112432085.db2.gz KLBYCDNZANQINE-RTBURBONSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089640287 1112433069 /nfs/dbraw/zinc/43/30/69/1112433069.db2.gz DWBZAGYMNWECFJ-ZWKOTPCHSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641782 1112434959 /nfs/dbraw/zinc/43/49/59/1112434959.db2.gz SPFVDUOZZFMXEF-ROUUACIJSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649643 1112478446 /nfs/dbraw/zinc/47/84/46/1112478446.db2.gz MECDDRGOINDOJM-RBUKOAKNSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649641 1112478508 /nfs/dbraw/zinc/47/85/08/1112478508.db2.gz MECDDRGOINDOJM-MOPGFXCFSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089663657 1112607456 /nfs/dbraw/zinc/60/74/56/1112607456.db2.gz RSHRIMYXFOBJEJ-OALUTQOASA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001089660922 1112608979 /nfs/dbraw/zinc/60/89/79/1112608979.db2.gz RVPCBUKHUMXBJA-HNNXBMFYSA-N 2 0 348.491 2.533 20 30 EFEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671437 1112660641 /nfs/dbraw/zinc/66/06/41/1112660641.db2.gz RXRACIHZEJMIAQ-GOSISDBHSA-N 2 0 338.455 2.578 20 30 EFEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710623 1112904811 /nfs/dbraw/zinc/90/48/11/1112904811.db2.gz LFXUPCNYOUVRFN-IBGZPJMESA-N 2 0 341.499 2.602 20 30 EFEDRP N#Cc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001212320484 1112996766 /nfs/dbraw/zinc/99/67/66/1112996766.db2.gz LDHHRRNMRSEHOU-UHFFFAOYSA-N 2 0 347.422 2.851 20 30 EFEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089806631 1113060382 /nfs/dbraw/zinc/06/03/82/1113060382.db2.gz RIPNZEHWZDPTAV-MANSERQUSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001484830221 1117748767 /nfs/dbraw/zinc/74/87/67/1117748767.db2.gz NXYXWXZUTYISNF-QUCCMNQESA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529955 1118930823 /nfs/dbraw/zinc/93/08/23/1118930823.db2.gz OFORLHKJPPXEHM-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943519955 1119534349 /nfs/dbraw/zinc/53/43/49/1119534349.db2.gz ZYGPRUHEUFKFQZ-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001107066633 1120242183 /nfs/dbraw/zinc/24/21/83/1120242183.db2.gz CDIXBZNYYKDHRK-HZPDHXFCSA-N 2 0 333.476 2.605 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000083029802 1120738998 /nfs/dbraw/zinc/73/89/98/1120738998.db2.gz KMORETSJZRDNDN-MRXNPFEDSA-N 2 0 330.476 2.679 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000181418372 234178561 /nfs/dbraw/zinc/17/85/61/234178561.db2.gz RVKWCBUCMNJPTQ-UHFFFAOYSA-N 2 0 326.488 2.598 20 30 EFEDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000181456043 234191431 /nfs/dbraw/zinc/19/14/31/234191431.db2.gz APCCUDCDGAYZIF-INIZCTEOSA-N 2 0 335.455 2.556 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000173945977 283139592 /nfs/dbraw/zinc/13/95/92/283139592.db2.gz SKJHRPWENFQNFZ-UHFFFAOYSA-N 2 0 331.435 2.774 20 30 EFEDRP C[NH+]=C(NC[C@@H]1C[C@@H]1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262448770 240353798 /nfs/dbraw/zinc/35/37/98/240353798.db2.gz VQZNNIPGQMRYAW-JKQORVJESA-N 2 0 334.533 2.952 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)C(C)C ZINC000262635791 240362746 /nfs/dbraw/zinc/36/27/46/240362746.db2.gz HWSWPRSBDNGVGN-RBUKOAKNSA-N 2 0 329.488 2.810 20 30 EFEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158906064 239017777 /nfs/dbraw/zinc/01/77/77/239017777.db2.gz GDPIBQVANRMVDI-ROUUACIJSA-N 2 0 348.535 2.723 20 30 EFEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000185714774 239614177 /nfs/dbraw/zinc/61/41/77/239614177.db2.gz KVGRJVIMFYVWLP-LPHOPBHVSA-N 2 0 327.472 2.815 20 30 EFEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000192834318 240067426 /nfs/dbraw/zinc/06/74/26/240067426.db2.gz JRVKEQHTBPPKSC-MOPGFXCFSA-N 2 0 327.472 2.815 20 30 EFEDRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000237412587 240243365 /nfs/dbraw/zinc/24/33/65/240243365.db2.gz HFECVWQUSIXQOQ-KRWDZBQOSA-N 2 0 343.471 2.952 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249744109 240303533 /nfs/dbraw/zinc/30/35/33/240303533.db2.gz BFRSSAHQFIDGSH-IAGOWNOFSA-N 2 0 329.488 2.699 20 30 EFEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245975760 240263172 /nfs/dbraw/zinc/26/31/72/240263172.db2.gz GDPIBQVANRMVDI-ZWKOTPCHSA-N 2 0 348.535 2.723 20 30 EFEDRP C[NH+]=C(NCC(F)F)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246535694 240269693 /nfs/dbraw/zinc/26/96/93/240269693.db2.gz VCCPADNCVCVIHK-SMDDNHRTSA-N 2 0 330.448 2.561 20 30 EFEDRP CC[NH+]=C(NCc1ccc(F)cc1F)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261953328 240331403 /nfs/dbraw/zinc/33/14/03/240331403.db2.gz IBQQWJIXGPCWLR-YVEFUNNKSA-N 2 0 336.430 2.503 20 30 EFEDRP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261976208 240336916 /nfs/dbraw/zinc/33/69/16/240336916.db2.gz NSABXCQQJKXLKW-YVEFUNNKSA-N 2 0 336.430 2.503 20 30 EFEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262010023 240339733 /nfs/dbraw/zinc/33/97/33/240339733.db2.gz JHOLTSNGZZUADY-CJNGLKHVSA-N 2 0 338.858 2.952 20 30 EFEDRP C[NH+]=C(NCc1ccc2ccccc2c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262813970 240369519 /nfs/dbraw/zinc/36/95/19/240369519.db2.gz WCICJJUVTADANP-FQEVSTJZSA-N 2 0 334.467 2.861 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000262018517 240341631 /nfs/dbraw/zinc/34/16/31/240341631.db2.gz WWFQOFWDPDGHRU-LSDHHAIUSA-N 2 0 346.475 2.695 20 30 EFEDRP CC[C@@H]1CN(C(NC[C@@H]2CCC[N@@H+](C(C)C)C2)=[NH+]C)CCS1 ZINC000262021960 240343144 /nfs/dbraw/zinc/34/31/44/240343144.db2.gz WFHXURGXMYPJCU-JKSUJKDBSA-N 2 0 326.554 2.510 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262231438 240343864 /nfs/dbraw/zinc/34/38/64/240343864.db2.gz MHRVCXGJDAENLC-WNRNVDISSA-N 2 0 332.536 2.995 20 30 EFEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000263014614 240377438 /nfs/dbraw/zinc/37/74/38/240377438.db2.gz ZENYENVCXYBUHO-MRXNPFEDSA-N 2 0 330.476 2.537 20 30 EFEDRP CCC[NH+](CCC)CCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264065618 240399471 /nfs/dbraw/zinc/39/94/71/240399471.db2.gz BBFJKODRLZIAGS-UHFFFAOYSA-N 2 0 336.480 2.943 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000264080889 240401335 /nfs/dbraw/zinc/40/13/35/240401335.db2.gz HFWNRCMCAUAVMJ-HUUCEWRRSA-N 2 0 348.491 2.798 20 30 EFEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000303768260 241196081 /nfs/dbraw/zinc/19/60/81/241196081.db2.gz AEXHVKPYOBMDGG-GOSISDBHSA-N 2 0 348.491 2.557 20 30 EFEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000359877699 242171451 /nfs/dbraw/zinc/17/14/51/242171451.db2.gz QEYVKJDVGWAFJK-QGZVFWFLSA-N 2 0 336.524 2.581 20 30 EFEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)CC[NH3+])cc1OC ZINC000414879292 244384628 /nfs/dbraw/zinc/38/46/28/244384628.db2.gz IJZIBKMUVKEAIA-LLVKDONJSA-N 2 0 343.265 2.849 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417059154 245000645 /nfs/dbraw/zinc/00/06/45/245000645.db2.gz HKXWSWCRADZBNQ-FGTMMUONSA-N 2 0 336.524 2.502 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430944810 247855042 /nfs/dbraw/zinc/85/50/42/247855042.db2.gz OBIFRVNCUNZLKJ-OAHLLOKOSA-N 2 0 335.517 2.583 20 30 EFEDRP CC1(C#N)CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000449063188 250898720 /nfs/dbraw/zinc/89/87/20/250898720.db2.gz LPXNTEAVHAMTLG-UHFFFAOYSA-N 2 0 340.515 2.866 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000264094974 285339961 /nfs/dbraw/zinc/33/99/61/285339961.db2.gz MGXCJCJNFVAKIZ-INIZCTEOSA-N 2 0 332.492 2.502 20 30 EFEDRP CN(C(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000170594105 258071274 /nfs/dbraw/zinc/07/12/74/258071274.db2.gz BNHRNPYBZNCOGB-UHFFFAOYSA-N 2 0 334.895 2.961 20 30 EFEDRP CC[NH+](CC)CCOC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000342099110 145062138 /nfs/dbraw/zinc/06/21/38/145062138.db2.gz PQOXBAOBRJACAU-UHFFFAOYSA-N 2 0 345.487 2.760 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)c(C)c1 ZINC000344148468 145379707 /nfs/dbraw/zinc/37/97/07/145379707.db2.gz QZXZEIXRZMZKRY-UHFFFAOYSA-N 2 0 328.504 2.716 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079195 146048953 /nfs/dbraw/zinc/04/89/53/146048953.db2.gz SFTWPPSGZGMKIT-HXUWFJFHSA-N 2 0 328.504 2.715 20 30 EFEDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000350953295 146103540 /nfs/dbraw/zinc/10/35/40/146103540.db2.gz WFOMZLZZXGDCBH-UHFFFAOYSA-N 2 0 348.878 2.814 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289334 149116810 /nfs/dbraw/zinc/11/68/10/149116810.db2.gz JJAMIYGWJXFCCE-LEWJYISDSA-N 2 0 338.499 2.739 20 30 EFEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373253591 151142057 /nfs/dbraw/zinc/14/20/57/151142057.db2.gz AYFXYHBHPZRIPS-GOSISDBHSA-N 2 0 340.515 2.969 20 30 EFEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172643 151295631 /nfs/dbraw/zinc/29/56/31/151295631.db2.gz GCKUSLCXQOGEOL-UHFFFAOYSA-N 2 0 343.471 2.753 20 30 EFEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123158606 222226250 /nfs/dbraw/zinc/22/62/50/222226250.db2.gz FBTCFKRCTRGGEH-MRXNPFEDSA-N 2 0 342.487 2.939 20 30 EFEDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1 ZINC000271962100 266107591 /nfs/dbraw/zinc/10/75/91/266107591.db2.gz UOFSLBZGVAGEPE-HNAYVOBHSA-N 2 0 332.467 2.620 20 30 EFEDRP C[NH+]1CCC(C)(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000272503225 266584374 /nfs/dbraw/zinc/58/43/74/266584374.db2.gz FCJKQPGLOVJKFJ-UHFFFAOYSA-N 2 0 340.515 2.844 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000264086203 276170420 /nfs/dbraw/zinc/17/04/20/276170420.db2.gz JIGREJNCGAPOCJ-GUDVDZBRSA-N 2 0 344.503 2.543 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)C(C)C ZINC000192519677 277851943 /nfs/dbraw/zinc/85/19/43/277851943.db2.gz IRTXFLRFYALUJA-QUCCMNQESA-N 2 0 329.488 2.675 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000262492937 279240754 /nfs/dbraw/zinc/24/07/54/279240754.db2.gz JOMCELUAHARSOO-BFYDXBDKSA-N 2 0 330.476 2.535 20 30 EFEDRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356948375 279374939 /nfs/dbraw/zinc/37/49/39/279374939.db2.gz PQXKEWJLBBNHDY-UHFFFAOYSA-N 2 0 326.488 2.954 20 30 EFEDRP C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000442796903 279547187 /nfs/dbraw/zinc/54/71/87/279547187.db2.gz WKEKSEZTXOHBBU-ZOBUZTSGSA-N 2 0 330.451 2.920 20 30 EFEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000578457133 320208606 /nfs/dbraw/zinc/20/86/06/320208606.db2.gz IADYGGPOGHOSOB-UHFFFAOYSA-N 2 0 330.476 2.524 20 30 EFEDRP C=CCN1CCC([NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000137460746 473206387 /nfs/dbraw/zinc/20/63/87/473206387.db2.gz KFMMWTYKFODNIA-INIZCTEOSA-N 2 0 345.487 2.573 20 30 EFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568873 473221974 /nfs/dbraw/zinc/22/19/74/473221974.db2.gz IPWMKXJDKCTCMH-INIZCTEOSA-N 2 0 328.460 2.551 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC000083033995 473317357 /nfs/dbraw/zinc/31/73/57/473317357.db2.gz NSJRHBUANNMSID-DOTOQJQBSA-N 2 0 330.476 2.535 20 30 EFEDRP C[NH+](C)CCCCCCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083033838 473317612 /nfs/dbraw/zinc/31/76/12/473317612.db2.gz CCMZQWPDSNMPMQ-KRWDZBQOSA-N 2 0 332.492 2.927 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCCCC1 ZINC000083032975 473317699 /nfs/dbraw/zinc/31/76/99/473317699.db2.gz LXLUJIUKZJASMC-WBVHZDCISA-N 2 0 330.476 2.537 20 30 EFEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113340168 473385956 /nfs/dbraw/zinc/38/59/56/473385956.db2.gz FDRFDMWAZNATOO-KRWDZBQOSA-N 2 0 337.471 2.895 20 30 EFEDRP C=C(C)C[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076554204 472366179 /nfs/dbraw/zinc/36/61/79/472366179.db2.gz XRHZJTNSPLITCJ-UHFFFAOYSA-N 2 0 329.488 2.797 20 30 EFEDRP C#CCNC(=[NH+]CC)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119471364 472558352 /nfs/dbraw/zinc/55/83/52/472558352.db2.gz JRIXWAFWTBLUSD-UXHICEINSA-N 2 0 338.499 2.572 20 30 EFEDRP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148401 472638484 /nfs/dbraw/zinc/63/84/84/472638484.db2.gz KTXJXMYHNURQNK-GOSISDBHSA-N 2 0 349.482 2.713 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000104157358 472659093 /nfs/dbraw/zinc/65/90/93/472659093.db2.gz UYXRIYRPIAOKIM-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP Clc1cccc(C#CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000156195722 472675755 /nfs/dbraw/zinc/67/57/55/472675755.db2.gz LKHZNNAMTQXWCU-UHFFFAOYSA-N 2 0 332.875 2.736 20 30 EFEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000157363007 472813013 /nfs/dbraw/zinc/81/30/13/472813013.db2.gz XSRPYFGQOUZUAQ-GOSISDBHSA-N 2 0 346.519 2.510 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000106290661 472836617 /nfs/dbraw/zinc/83/66/17/472836617.db2.gz WSOKOPKHCQRAHJ-IBGZPJMESA-N 2 0 329.488 2.836 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000073640451 472844553 /nfs/dbraw/zinc/84/45/53/472844553.db2.gz JJPYTDYKAHWSFE-IBGZPJMESA-N 2 0 335.536 2.922 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780622 472874987 /nfs/dbraw/zinc/87/49/87/472874987.db2.gz LIEUAXYINOHCEN-HNNXBMFYSA-N 2 0 334.895 2.832 20 30 EFEDRP N#Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1F ZINC000121623749 472882503 /nfs/dbraw/zinc/88/25/03/472882503.db2.gz JTBPUQUFKYRAHT-UHFFFAOYSA-N 2 0 331.435 2.774 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048714860 472902803 /nfs/dbraw/zinc/90/28/03/472902803.db2.gz HWMLOZOUOZNTEV-UHFFFAOYSA-N 2 0 348.494 2.986 20 30 EFEDRP C=CCCOCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092415813 472910220 /nfs/dbraw/zinc/91/02/20/472910220.db2.gz ANKKTCWYFJGMEF-UHFFFAOYSA-N 2 0 337.895 2.774 20 30 EFEDRP CCc1cccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000134551170 472927809 /nfs/dbraw/zinc/92/78/09/472927809.db2.gz FPRWRWXATCJAHG-UHFFFAOYSA-N 2 0 341.459 2.511 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074130178 472948313 /nfs/dbraw/zinc/94/83/13/472948313.db2.gz YYFARBCPUSLQMP-SFHVURJKSA-N 2 0 336.524 2.543 20 30 EFEDRP C[N@@H+]1CCCC[C@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075110471 473127378 /nfs/dbraw/zinc/12/73/78/473127378.db2.gz CZFKXKNYKGXECZ-NRFANRHFSA-N 2 0 340.515 2.940 20 30 EFEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000160710915 473164106 /nfs/dbraw/zinc/16/41/06/473164106.db2.gz FROKBAOEFYXQBT-UHFFFAOYSA-N 2 0 330.354 2.796 20 30 EFEDRP C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697060 473491563 /nfs/dbraw/zinc/49/15/63/473491563.db2.gz PHYRUFBBZAGJCJ-ZTNFWEORSA-N 2 0 327.472 2.834 20 30 EFEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000172116523 473527244 /nfs/dbraw/zinc/52/72/44/473527244.db2.gz LCGFZCZYAZKKTF-ROUUACIJSA-N 2 0 330.472 2.678 20 30 EFEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(C#N)c1 ZINC000191464785 473542229 /nfs/dbraw/zinc/54/22/29/473542229.db2.gz VCNIPYOLTGKXAO-UHFFFAOYSA-N 2 0 340.515 2.962 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954871 473557518 /nfs/dbraw/zinc/55/75/18/473557518.db2.gz DLWKNWGDWDHRDG-CABCVRRESA-N 2 0 342.409 2.721 20 30 EFEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152479714 473566803 /nfs/dbraw/zinc/56/68/03/473566803.db2.gz IWPLKGROXRDDNF-QZTJIDSGSA-N 2 0 342.487 2.595 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000172584507 473649112 /nfs/dbraw/zinc/64/91/12/473649112.db2.gz GXYSMQBMJWVINQ-UHFFFAOYSA-N 2 0 348.535 2.687 20 30 EFEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CCCCCC1 ZINC000179738677 473715186 /nfs/dbraw/zinc/71/51/86/473715186.db2.gz IZLIJLDHLBOJID-UHFFFAOYSA-N 2 0 329.492 2.925 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681251 473731900 /nfs/dbraw/zinc/73/19/00/473731900.db2.gz LRJLLXUQDPAKLZ-QFBILLFUSA-N 2 0 344.503 2.627 20 30 EFEDRP C[C@@H](NC(=[NH2+])NCCn1ccnc1)c1ccc(Cl)cc1Cl ZINC000263242438 473746419 /nfs/dbraw/zinc/74/64/19/473746419.db2.gz LQZMHRKAPHPIBD-SNVBAGLBSA-N 2 0 326.231 2.855 20 30 EFEDRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000180063041 473788568 /nfs/dbraw/zinc/78/85/68/473788568.db2.gz RQSCEKKFYQXRQD-MRXNPFEDSA-N 2 0 337.471 2.780 20 30 EFEDRP COc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)ccc1C#N ZINC000281681614 473804650 /nfs/dbraw/zinc/80/46/50/473804650.db2.gz MHYWFXRKVJBLLQ-UHFFFAOYSA-N 2 0 339.439 2.797 20 30 EFEDRP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270852 473811587 /nfs/dbraw/zinc/81/15/87/473811587.db2.gz ADUKVGXOMBTXKJ-LNLFQRSKSA-N 2 0 331.504 2.524 20 30 EFEDRP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270861 473812148 /nfs/dbraw/zinc/81/21/48/473812148.db2.gz ADUKVGXOMBTXKJ-SCTDSRPQSA-N 2 0 331.504 2.524 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017734 473828250 /nfs/dbraw/zinc/82/82/50/473828250.db2.gz WUUAZTHKYRAEMC-QGZVFWFLSA-N 2 0 329.488 2.699 20 30 EFEDRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280542 473845228 /nfs/dbraw/zinc/84/52/28/473845228.db2.gz AYJIUBMWQKMDNR-RTBURBONSA-N 2 0 337.471 2.921 20 30 EFEDRP CC(C)[NH+]1CCC(N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269700034 473866963 /nfs/dbraw/zinc/86/69/63/473866963.db2.gz YFZAPVCEQSOTNZ-UHFFFAOYSA-N 2 0 326.488 2.549 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000264080887 473947336 /nfs/dbraw/zinc/94/73/36/473947336.db2.gz HFWNRCMCAUAVMJ-GASCZTMLSA-N 2 0 348.491 2.798 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)cc1OC ZINC000264083991 473948630 /nfs/dbraw/zinc/94/86/30/473948630.db2.gz IIXUMTOTKRAZHQ-UHFFFAOYSA-N 2 0 342.443 2.692 20 30 EFEDRP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106931 473950309 /nfs/dbraw/zinc/95/03/09/473950309.db2.gz PVYNGSGROLVFDS-QWRGUYRKSA-N 2 0 329.275 2.910 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000264147272 473954244 /nfs/dbraw/zinc/95/42/44/473954244.db2.gz YEVDYHSWMARKDJ-HOTGVXAUSA-N 2 0 332.492 2.500 20 30 EFEDRP C=C(C)C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000181332590 474027398 /nfs/dbraw/zinc/02/73/98/474027398.db2.gz DALVTZTVSNKZLY-UHFFFAOYSA-N 2 0 329.488 2.584 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000181720297 474058907 /nfs/dbraw/zinc/05/89/07/474058907.db2.gz QKTUSOQMSUTLRS-QGZVFWFLSA-N 2 0 336.524 2.591 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774198 474062323 /nfs/dbraw/zinc/06/23/23/474062323.db2.gz SQSHEYOAEUOYIN-IRXDYDNUSA-N 2 0 343.471 2.740 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622875 474219205 /nfs/dbraw/zinc/21/92/05/474219205.db2.gz VAHXIDVIFXXFSR-IRXDYDNUSA-N 2 0 348.535 2.589 20 30 EFEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000182746729 474247703 /nfs/dbraw/zinc/24/77/03/474247703.db2.gz LXYFUMINRCKAQJ-HXUWFJFHSA-N 2 0 348.535 2.629 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289422043 474264290 /nfs/dbraw/zinc/26/42/90/474264290.db2.gz JICDNLQWJWIBPU-UHFFFAOYSA-N 2 0 343.515 2.711 20 30 EFEDRP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000266980020 474554656 /nfs/dbraw/zinc/55/46/56/474554656.db2.gz MAYAFNDLRVRVSD-NSHDSACASA-N 2 0 328.382 2.592 20 30 EFEDRP C=CCC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276500107 474565451 /nfs/dbraw/zinc/56/54/51/474565451.db2.gz WCWQASHCCOXLCS-QGZVFWFLSA-N 2 0 329.488 2.664 20 30 EFEDRP C[NH+]1CCC(Oc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000284092972 474569427 /nfs/dbraw/zinc/56/94/27/474569427.db2.gz RRDORGSRORWINA-UHFFFAOYSA-N 2 0 330.476 2.507 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249466562 474576603 /nfs/dbraw/zinc/57/66/03/474576603.db2.gz SNTXSLBAIVYNHA-PXNSSMCTSA-N 2 0 345.487 2.664 20 30 EFEDRP C[N@H+](CC(C)(C)CCC#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190319517 474577487 /nfs/dbraw/zinc/57/74/87/474577487.db2.gz OHVVBAFVJBZBSS-HXUWFJFHSA-N 2 0 329.488 2.885 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCCn1ccnc1 ZINC000271618361 474583210 /nfs/dbraw/zinc/58/32/10/474583210.db2.gz DLTMXGSDPHEUHC-INIZCTEOSA-N 2 0 346.500 2.870 20 30 EFEDRP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000271897509 474598031 /nfs/dbraw/zinc/59/80/31/474598031.db2.gz UQMLASKIPAEJNF-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C[NH+](C)C ZINC000291707685 474654748 /nfs/dbraw/zinc/65/47/48/474654748.db2.gz LAJPDZFRHSSJRH-MRXNPFEDSA-N 2 0 325.460 2.751 20 30 EFEDRP COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000344678459 474779077 /nfs/dbraw/zinc/77/90/77/474779077.db2.gz LGAPALUFCZIJHU-NVXWUHKLSA-N 2 0 331.460 2.950 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542100 475072166 /nfs/dbraw/zinc/07/21/66/475072166.db2.gz ARCQWOGUBZZJNT-LJQANCHMSA-N 2 0 341.499 2.519 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000268969400 475103945 /nfs/dbraw/zinc/10/39/45/475103945.db2.gz MMJPKGUHHHBBKB-LEWJYISDSA-N 2 0 342.483 2.556 20 30 EFEDRP COc1cc(CN(C)C[C@H](C)C#N)cc(CN(C)C[C@H](C)C#N)c1 ZINC000292638173 475128883 /nfs/dbraw/zinc/12/88/83/475128883.db2.gz OECWKSLKOYBGFF-HZPDHXFCSA-N 2 0 328.460 2.878 20 30 EFEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059690 475162098 /nfs/dbraw/zinc/16/20/98/475162098.db2.gz YNOKTRNWBULMCL-XJKSGUPXSA-N 2 0 340.874 2.951 20 30 EFEDRP C[C@H]1COCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000287567876 475198196 /nfs/dbraw/zinc/19/81/96/475198196.db2.gz QLMRSDXOIDNVQC-QFBILLFUSA-N 2 0 327.472 2.785 20 30 EFEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000352810954 475645930 /nfs/dbraw/zinc/64/59/30/475645930.db2.gz QPCVGEJMRMAATK-FXAWDEMLSA-N 2 0 341.499 2.795 20 30 EFEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000343713069 476106024 /nfs/dbraw/zinc/10/60/24/476106024.db2.gz OOHVCCFQUWYJHG-UHFFFAOYSA-N 2 0 340.515 2.743 20 30 EFEDRP C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000360838878 476419569 /nfs/dbraw/zinc/41/95/69/476419569.db2.gz VUZPHDOFRMTMTA-UTKZUKDTSA-N 2 0 340.515 2.799 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000369581471 476426848 /nfs/dbraw/zinc/42/68/48/476426848.db2.gz CKTUSEMUSJQOFS-RBUKOAKNSA-N 2 0 348.535 2.565 20 30 EFEDRP N#Cc1cc(F)ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360975655 476519184 /nfs/dbraw/zinc/51/91/84/476519184.db2.gz OYYLCRYIMFVUDC-UHFFFAOYSA-N 2 0 339.418 2.717 20 30 EFEDRP C=CCOc1ccccc1C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422913591 476843421 /nfs/dbraw/zinc/84/34/21/476843421.db2.gz QJADZIQBMIQTJL-MRXNPFEDSA-N 2 0 346.471 2.662 20 30 EFEDRP C=CCOc1ccccc1C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422913590 476843769 /nfs/dbraw/zinc/84/37/69/476843769.db2.gz QJADZIQBMIQTJL-INIZCTEOSA-N 2 0 346.471 2.662 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000430544925 476852538 /nfs/dbraw/zinc/85/25/38/476852538.db2.gz PFWGNBJRPWYYSJ-INIZCTEOSA-N 2 0 349.544 2.973 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000422966827 476871004 /nfs/dbraw/zinc/87/10/04/476871004.db2.gz ATPIFWMHAPKZRB-LSDHHAIUSA-N 2 0 329.444 2.530 20 30 EFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422986954 476879879 /nfs/dbraw/zinc/87/98/79/476879879.db2.gz HPVCYVQVVHDLLC-GUDVDZBRSA-N 2 0 345.512 2.538 20 30 EFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422986952 476880032 /nfs/dbraw/zinc/88/00/32/476880032.db2.gz HPVCYVQVVHDLLC-CEXWTWQISA-N 2 0 345.512 2.538 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415135531 476909556 /nfs/dbraw/zinc/90/95/56/476909556.db2.gz WTFYABDNYCHJMC-UXHICEINSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CC[C@H]1[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CCCC1(C)C ZINC000446828262 476923199 /nfs/dbraw/zinc/92/31/99/476923199.db2.gz SOPXCNYQZQSDIW-GOSISDBHSA-N 2 0 343.519 2.795 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430968158 476954082 /nfs/dbraw/zinc/95/40/82/476954082.db2.gz XGFHPGFGOXXVIF-HUUCEWRRSA-N 2 0 335.517 2.710 20 30 EFEDRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000447548131 477009600 /nfs/dbraw/zinc/00/96/00/477009600.db2.gz GIWNDFIJMSWWLN-PMACEKPBSA-N 2 0 328.504 2.871 20 30 EFEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900646 477071354 /nfs/dbraw/zinc/07/13/54/477071354.db2.gz HLIXNAPPWOMIBQ-YLJYHZDGSA-N 2 0 326.488 2.720 20 30 EFEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371336179 477252347 /nfs/dbraw/zinc/25/23/47/477252347.db2.gz NYJZRCKZVRUCMW-HXUWFJFHSA-N 2 0 343.515 2.852 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424132551 477302217 /nfs/dbraw/zinc/30/22/17/477302217.db2.gz KWPJQZXEXQVTIW-VQIMIIECSA-N 2 0 342.487 2.698 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138767 477305101 /nfs/dbraw/zinc/30/51/01/477305101.db2.gz UVHDVZLVZLPXIN-QFBILLFUSA-N 2 0 342.487 2.698 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139350 477305408 /nfs/dbraw/zinc/30/54/08/477305408.db2.gz VDJBNPCBCDIDRQ-APWZRJJASA-N 2 0 342.487 2.556 20 30 EFEDRP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424141233 477305912 /nfs/dbraw/zinc/30/59/12/477305912.db2.gz WYHLYAODIHKQQL-GOSISDBHSA-N 2 0 328.460 2.878 20 30 EFEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160157 477313601 /nfs/dbraw/zinc/31/36/01/477313601.db2.gz TUUPYKDMLMGCTQ-YTQUADARSA-N 2 0 342.487 2.692 20 30 EFEDRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)CC1 ZINC000424165537 477314403 /nfs/dbraw/zinc/31/44/03/477314403.db2.gz DWEMBWIOTKTFSX-IBGZPJMESA-N 2 0 342.487 2.921 20 30 EFEDRP C=CCN1CC[C@@H](N(C)Cc2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000411673670 477322241 /nfs/dbraw/zinc/32/22/41/477322241.db2.gz ODAWKKKWCWJPQC-HXUWFJFHSA-N 2 0 341.499 2.891 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449083416 477429568 /nfs/dbraw/zinc/42/95/68/477429568.db2.gz UBJIEKNDMKUCLY-UHFFFAOYSA-N 2 0 340.515 2.996 20 30 EFEDRP CC1(C#N)CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000449109465 477444105 /nfs/dbraw/zinc/44/41/05/477444105.db2.gz WZEBBJFKQOFMEQ-UHFFFAOYSA-N 2 0 341.503 2.656 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417545055 477456194 /nfs/dbraw/zinc/45/61/94/477456194.db2.gz WVFAQFDLEYFZKV-UHFFFAOYSA-N 2 0 344.503 2.588 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417541917 477456342 /nfs/dbraw/zinc/45/63/42/477456342.db2.gz SETMTZWAJMLLOL-IBGZPJMESA-N 2 0 344.503 2.806 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417539748 477456443 /nfs/dbraw/zinc/45/64/43/477456443.db2.gz ONAHZBXMPIGXIL-MJGOQNOKSA-N 2 0 348.535 2.591 20 30 EFEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000372067441 477624117 /nfs/dbraw/zinc/62/41/17/477624117.db2.gz VWSVEQPAYQCXEX-UHFFFAOYSA-N 2 0 341.503 2.775 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000515404061 477819401 /nfs/dbraw/zinc/81/94/01/477819401.db2.gz HNKMIFZGADPYQM-SVFBPWRDSA-N 2 0 338.499 2.500 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000515404060 477819417 /nfs/dbraw/zinc/81/94/17/477819417.db2.gz HNKMIFZGADPYQM-SFHLNBCPSA-N 2 0 338.499 2.500 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821060 477887615 /nfs/dbraw/zinc/88/76/15/477887615.db2.gz RDJDSSXRWSQCBM-CRAIPNDOSA-N 2 0 328.460 2.691 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000421373715 478062391 /nfs/dbraw/zinc/06/23/91/478062391.db2.gz MWWQGGDZPMBFMQ-UHFFFAOYSA-N 2 0 332.517 2.612 20 30 EFEDRP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]2CCCC2)cc1 ZINC000594436292 478387164 /nfs/dbraw/zinc/38/71/64/478387164.db2.gz CUEOMNAOIQBPIY-RTBURBONSA-N 2 0 342.487 2.659 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600718588 478484385 /nfs/dbraw/zinc/48/43/85/478484385.db2.gz YMIJSZGZOUDPLC-IEBWSBKVSA-N 2 0 345.487 2.542 20 30 EFEDRP N#Cc1ccc(C2([NH2+]CCCC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000600740944 478499970 /nfs/dbraw/zinc/49/99/70/478499970.db2.gz LQFZEOIDAYSSBJ-UHFFFAOYSA-N 2 0 327.472 2.933 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)c(F)c1 ZINC000582175603 478528893 /nfs/dbraw/zinc/52/88/93/478528893.db2.gz LZDIXCLONSVJCG-CGTJXYLNSA-N 2 0 330.451 2.916 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)CC[NH2+]CC1 ZINC000591573347 478583497 /nfs/dbraw/zinc/58/34/97/478583497.db2.gz PJSFTDQHYJCNPN-CYBMUJFWSA-N 2 0 349.862 2.623 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000563710060 478621874 /nfs/dbraw/zinc/62/18/74/478621874.db2.gz XSNHZTPWHNJOHL-HXUWFJFHSA-N 2 0 344.499 2.619 20 30 EFEDRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000583426643 478850007 /nfs/dbraw/zinc/85/00/07/478850007.db2.gz RIEYAEDSWUWCPU-KRWDZBQOSA-N 2 0 337.471 2.780 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592470955 478907332 /nfs/dbraw/zinc/90/73/32/478907332.db2.gz PKSLDGMBAFSOJN-JOGYUHMRSA-N 2 0 340.471 2.621 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592470956 478907949 /nfs/dbraw/zinc/90/79/49/478907949.db2.gz PKSLDGMBAFSOJN-STJITEESSA-N 2 0 340.471 2.621 20 30 EFEDRP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595904 478918915 /nfs/dbraw/zinc/91/89/15/478918915.db2.gz PFWWEYDPKDYUKD-OALUTQOASA-N 2 0 329.488 2.741 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618394 478928190 /nfs/dbraw/zinc/92/81/90/478928190.db2.gz XKJNMYCFSLCLSK-PZJWPPBQSA-N 2 0 341.499 2.885 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000598700759 478980207 /nfs/dbraw/zinc/98/02/07/478980207.db2.gz QBCBWRZMOWBZHZ-IBGZPJMESA-N 2 0 329.488 2.789 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000598718467 478989972 /nfs/dbraw/zinc/98/99/72/478989972.db2.gz BLOBGMTZPVWREA-OALUTQOASA-N 2 0 329.488 2.789 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000567776316 479114514 /nfs/dbraw/zinc/11/45/14/479114514.db2.gz WZNWWWOZZIBQDE-WOJBJXKFSA-N 2 0 341.499 2.688 20 30 EFEDRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322628 479295274 /nfs/dbraw/zinc/29/52/74/479295274.db2.gz OGRMXBDVQJRVPD-UZLBHIALSA-N 2 0 326.488 2.643 20 30 EFEDRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322625 479295438 /nfs/dbraw/zinc/29/54/38/479295438.db2.gz OGRMXBDVQJRVPD-JXFKEZNVSA-N 2 0 326.488 2.643 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000593324708 479296141 /nfs/dbraw/zinc/29/61/41/479296141.db2.gz YSIKPKZGYVTGPF-VQTJNVASSA-N 2 0 326.488 2.772 20 30 EFEDRP C[C@@H](CCC#N)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000602462331 479347857 /nfs/dbraw/zinc/34/78/57/479347857.db2.gz BCWJKGUPLAAFRN-IBGZPJMESA-N 2 0 328.504 2.676 20 30 EFEDRP C[C@@H](CCC#N)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000602468161 479349191 /nfs/dbraw/zinc/34/91/91/479349191.db2.gz JSLQRVOHABFUQS-SFHVURJKSA-N 2 0 344.503 2.689 20 30 EFEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390849 479365317 /nfs/dbraw/zinc/36/53/17/479365317.db2.gz UZIPOKHCKCEDKH-UZLBHIALSA-N 2 0 326.488 2.551 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592006 479413346 /nfs/dbraw/zinc/41/33/46/479413346.db2.gz GHVJVJZOZSNXFI-OALUTQOASA-N 2 0 342.487 2.569 20 30 EFEDRP C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1 ZINC000593721227 479434007 /nfs/dbraw/zinc/43/40/07/479434007.db2.gz KWFLEGVSJJVKRT-KRWDZBQOSA-N 2 0 340.515 2.843 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000578979470 479642898 /nfs/dbraw/zinc/64/28/98/479642898.db2.gz GRIKLGSNCBWCNL-HXUWFJFHSA-N 2 0 346.515 2.865 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532014 480421882 /nfs/dbraw/zinc/42/18/82/480421882.db2.gz QQYJHAPOZKBXSZ-UYAOXDASSA-N 2 0 346.515 2.865 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)C(C)C ZINC000667732715 481770442 /nfs/dbraw/zinc/77/04/42/481770442.db2.gz QAVGMFOWMZQUCX-SFHVURJKSA-N 2 0 330.476 2.965 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)C(C)C ZINC000662380682 481771914 /nfs/dbraw/zinc/77/19/14/481771914.db2.gz NYKLAUSMIBOKEI-MRXNPFEDSA-N 2 0 347.528 2.822 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660598397 482042236 /nfs/dbraw/zinc/04/22/36/482042236.db2.gz YCAHNTQBMFJWSR-GOSISDBHSA-N 2 0 348.535 2.733 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660598398 482042328 /nfs/dbraw/zinc/04/23/28/482042328.db2.gz YCAHNTQBMFJWSR-SFHVURJKSA-N 2 0 348.535 2.733 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000172150975 526427847 /nfs/dbraw/zinc/42/78/47/526427847.db2.gz YCRPGRPCFJEXQW-UHFFFAOYSA-N 2 0 348.535 2.543 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177531584 526430432 /nfs/dbraw/zinc/43/04/32/526430432.db2.gz VWEYFEZBRYKUPO-UHFFFAOYSA-N 2 0 348.535 2.733 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000171711672 526431983 /nfs/dbraw/zinc/43/19/83/526431983.db2.gz XRNUPYORIYTMPI-UHFFFAOYSA-N 2 0 336.524 2.591 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000171726646 526433546 /nfs/dbraw/zinc/43/35/46/526433546.db2.gz XBMVMAYZPSLOJU-KRWDZBQOSA-N 2 0 348.491 2.612 20 30 EFEDRP N#Cc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967515 526735395 /nfs/dbraw/zinc/73/53/95/526735395.db2.gz QQETYJGGLYVTFS-UHFFFAOYSA-N 2 0 327.472 2.883 20 30 EFEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158933886 528355978 /nfs/dbraw/zinc/35/59/78/528355978.db2.gz GMCCKTBXGYDNSO-SFHVURJKSA-N 2 0 348.535 2.725 20 30 EFEDRP CC[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000261711598 535261822 /nfs/dbraw/zinc/26/18/22/535261822.db2.gz HGWUUAMUJHHJKE-KRWDZBQOSA-N 2 0 340.581 2.757 20 30 EFEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCS[C@@H](CC)C1 ZINC000262047825 535262861 /nfs/dbraw/zinc/26/28/61/535262861.db2.gz ZFKKWWHNKBKCKB-IRXDYDNUSA-N 2 0 340.581 2.900 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1oc2ccc(F)cc2c1C ZINC000262005389 535550081 /nfs/dbraw/zinc/55/00/81/535550081.db2.gz REPBEHODDBLLIY-CQSZACIVSA-N 2 0 332.423 2.769 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000764246126 576443823 /nfs/dbraw/zinc/44/38/23/576443823.db2.gz HDHSOYFGVIJDBG-QGZVFWFLSA-N 2 0 335.879 2.711 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000764423342 576457155 /nfs/dbraw/zinc/45/71/55/576457155.db2.gz IUGGTJDWQKONMC-LJQANCHMSA-N 2 0 329.488 2.694 20 30 EFEDRP C#CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000771755510 581239728 /nfs/dbraw/zinc/23/97/28/581239728.db2.gz DKGLWJGLPVRBPS-HXUWFJFHSA-N 2 0 341.499 2.673 20 30 EFEDRP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000771755509 581239835 /nfs/dbraw/zinc/23/98/35/581239835.db2.gz DKGLWJGLPVRBPS-FQEVSTJZSA-N 2 0 341.499 2.673 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752813927 1251465522 /nfs/dbraw/zinc/46/55/22/1251465522.db2.gz BWDGZVQRFFZBKL-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001752827386 1251584853 /nfs/dbraw/zinc/58/48/53/1251584853.db2.gz CINVCSJCZMPRKO-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001752828012 1251585295 /nfs/dbraw/zinc/58/52/95/1251585295.db2.gz WWENFZZIHNPPDA-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001752828011 1251585578 /nfs/dbraw/zinc/58/55/78/1251585578.db2.gz WWENFZZIHNPPDA-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493467 1252059905 /nfs/dbraw/zinc/05/99/05/1252059905.db2.gz XCJFWZINJAKDAP-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=C)C)CC1 ZINC001089735537 1252341253 /nfs/dbraw/zinc/34/12/53/1252341253.db2.gz MZRSDPUIGKNIAX-LJQANCHMSA-N 2 0 345.531 2.515 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332460 1253180445 /nfs/dbraw/zinc/18/04/45/1253180445.db2.gz CGBABADETGRPFE-WMZOPIPTSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995903123 1254825846 /nfs/dbraw/zinc/82/58/46/1254825846.db2.gz JVCRZVSTAUPJMW-JKSUJKDBSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995921648 1254843264 /nfs/dbraw/zinc/84/32/64/1254843264.db2.gz XJPSSHIPNLSSLV-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996186726 1255062910 /nfs/dbraw/zinc/06/29/10/1255062910.db2.gz AXJUUEWHRLTHSN-HZPDHXFCSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC1(C)C ZINC000996195467 1255095557 /nfs/dbraw/zinc/09/55/57/1255095557.db2.gz DKLIFMKZFSTOQB-AWEZNQCLSA-N 2 0 339.867 2.534 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996413908 1255289720 /nfs/dbraw/zinc/28/97/20/1255289720.db2.gz HNSWOYISTGIHRG-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996506589 1255371231 /nfs/dbraw/zinc/37/12/31/1255371231.db2.gz MVMYYTGHNLJTNU-RXVVDRJESA-N 2 0 343.515 2.866 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996657880 1255650561 /nfs/dbraw/zinc/65/05/61/1255650561.db2.gz AAHBYKQLDMZQRK-KRWDZBQOSA-N 2 0 349.906 2.941 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098819621 1255723549 /nfs/dbraw/zinc/72/35/49/1255723549.db2.gz BSZOHPWOEUJPPW-ICSRJNTNSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098819549 1255734928 /nfs/dbraw/zinc/73/49/28/1255734928.db2.gz ALDOVSNXNKORLD-AZUAARDMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439303 1255823029 /nfs/dbraw/zinc/82/30/29/1255823029.db2.gz VGVCXSWOYGGREP-QWFCFKBJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567566 1256157584 /nfs/dbraw/zinc/15/75/84/1256157584.db2.gz ZHXJMQNJIFBICJ-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582090 1256179104 /nfs/dbraw/zinc/17/91/04/1256179104.db2.gz WICQOSFMUOTQRE-SFHLNBCPSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581720 1256198694 /nfs/dbraw/zinc/19/86/94/1256198694.db2.gz KCMUGZYHIQSMSB-TZIWHRDSSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CCC)CCC[C@@H]12 ZINC001107616223 1256304056 /nfs/dbraw/zinc/30/40/56/1256304056.db2.gz YEZLHRGNNVAAFD-SJLPKXTDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645236 1256345039 /nfs/dbraw/zinc/34/50/39/1256345039.db2.gz RZDXPOQRHBNLBO-UYAOXDASSA-N 2 0 333.520 2.799 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136439 1257037973 /nfs/dbraw/zinc/03/79/73/1257037973.db2.gz GBISEKDWFIBWHF-XLIONFOSSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997360714 1257436983 /nfs/dbraw/zinc/43/69/83/1257436983.db2.gz QYDQYRMYNJDPHU-UHFFFAOYSA-N 2 0 335.879 2.695 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997373033 1257551877 /nfs/dbraw/zinc/55/18/77/1257551877.db2.gz NLROZBMQVBGHKN-QGZVFWFLSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997387441 1257562627 /nfs/dbraw/zinc/56/26/27/1257562627.db2.gz MVGKQYACEHVKFC-QGZVFWFLSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910827 1257634336 /nfs/dbraw/zinc/63/43/36/1257634336.db2.gz VSMUDKOURSVONL-YRPNKDGESA-N 2 0 345.531 2.607 20 30 EFEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997790837 1258417333 /nfs/dbraw/zinc/41/73/33/1258417333.db2.gz JCPDPUKLOKJXNH-KRWDZBQOSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997828883 1258503635 /nfs/dbraw/zinc/50/36/35/1258503635.db2.gz MVGKQYACEHVKFC-KRWDZBQOSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997947161 1258820291 /nfs/dbraw/zinc/82/02/91/1258820291.db2.gz AIGNIMDCHZTZER-HOTGVXAUSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998005629 1258934482 /nfs/dbraw/zinc/93/44/82/1258934482.db2.gz HBDXKQSQVKEOGS-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005802 1258935651 /nfs/dbraw/zinc/93/56/51/1258935651.db2.gz RRDVMSRUJDLPTE-MOPGFXCFSA-N 2 0 333.520 2.586 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021697 1258973876 /nfs/dbraw/zinc/97/38/76/1258973876.db2.gz HBZPOMDEXLYVMM-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101599 1259111472 /nfs/dbraw/zinc/11/14/72/1259111472.db2.gz JAGKAVMCCRAYHZ-SJORKVTESA-N 2 0 341.927 2.926 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102199 1259113292 /nfs/dbraw/zinc/11/32/92/1259113292.db2.gz LHSDOIAUTDRSQJ-VQTJNVASSA-N 2 0 347.547 2.835 20 30 EFEDRP CC#CC[NH2+]C1(CNC(=O)CC2([NH+](C)C)CCCC2)CCCCC1 ZINC001115650231 1260050659 /nfs/dbraw/zinc/05/06/59/1260050659.db2.gz QKHPMBHJDLJZTG-UHFFFAOYSA-N 2 0 333.520 2.683 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999155684 1260278167 /nfs/dbraw/zinc/27/81/67/1260278167.db2.gz ZMXSYSNABGGYCX-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999562760 1260736159 /nfs/dbraw/zinc/73/61/59/1260736159.db2.gz QSYPTZBKDGCKFR-AWEZNQCLSA-N 2 0 332.835 2.589 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870447 1261197040 /nfs/dbraw/zinc/19/70/40/1261197040.db2.gz PLGKTAAOYFWVIQ-FQEVSTJZSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2ccnc2)cc1 ZINC001272879255 1261224506 /nfs/dbraw/zinc/22/45/06/1261224506.db2.gz ORVSBERSLILNGY-RTBURBONSA-N 2 0 336.439 2.624 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000679228 1261551088 /nfs/dbraw/zinc/55/10/88/1261551088.db2.gz YGWFQUOZXICUPV-HKUYNNGSSA-N 2 0 349.906 2.797 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902378 1261662453 /nfs/dbraw/zinc/66/24/53/1261662453.db2.gz MWKZKGZRLKUQOM-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902713 1261690860 /nfs/dbraw/zinc/69/08/60/1261690860.db2.gz WMSYODZVQGGGRK-CADBVGFASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006120949 1261812884 /nfs/dbraw/zinc/81/28/84/1261812884.db2.gz SRGWSXGIWFRPAT-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C12CCC2 ZINC001078655866 1262108083 /nfs/dbraw/zinc/10/80/83/1262108083.db2.gz BCMLZYJDUSKTJI-JKSUJKDBSA-N 2 0 330.476 2.520 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078683632 1262142694 /nfs/dbraw/zinc/14/26/94/1262142694.db2.gz UIVIZICFPNPKLI-HOTGVXAUSA-N 2 0 344.846 2.717 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078683633 1262142951 /nfs/dbraw/zinc/14/29/51/1262142951.db2.gz UIVIZICFPNPKLI-HZPDHXFCSA-N 2 0 344.846 2.717 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699978 1262178292 /nfs/dbraw/zinc/17/82/92/1262178292.db2.gz DYMMZHVVAIJOQH-CABCVRRESA-N 2 0 339.911 2.630 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819064 1262362208 /nfs/dbraw/zinc/36/22/08/1262362208.db2.gz IDHZTMXBJKVNEL-ZWKOTPCHSA-N 2 0 327.472 2.565 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820655 1262365297 /nfs/dbraw/zinc/36/52/97/1262365297.db2.gz YLMQPGMKNOCQEF-QZTJIDSGSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542742 1263238700 /nfs/dbraw/zinc/23/87/00/1263238700.db2.gz KMLQZTUFLMUCIK-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001082852068 1263367717 /nfs/dbraw/zinc/36/77/17/1263367717.db2.gz RCSBGMVKTPTAST-OIISXLGYSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476011 1263970122 /nfs/dbraw/zinc/97/01/22/1263970122.db2.gz FKJBDSQQQHWFPC-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603746 1264068763 /nfs/dbraw/zinc/06/87/63/1264068763.db2.gz JIWZUVMLEUGTSX-MISYRCLQSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001003016014 1264468389 /nfs/dbraw/zinc/46/83/89/1264468389.db2.gz HRQFANDRTHTMFM-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853536 1264540474 /nfs/dbraw/zinc/54/04/74/1264540474.db2.gz XVHKASOLCZERMY-VAMGGRTRSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039385 1266547376 /nfs/dbraw/zinc/54/73/76/1266547376.db2.gz PXHHHXKIUDMTAX-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004370031 1266788991 /nfs/dbraw/zinc/78/89/91/1266788991.db2.gz HBDPCOOAKJBZNQ-DLBZAZTESA-N 2 0 339.911 2.536 20 30 EFEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171068752 1278288720 /nfs/dbraw/zinc/28/87/20/1278288720.db2.gz GJAGCIYQUOSPHR-DLBZAZTESA-N 2 0 329.504 2.897 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224510 1266859816 /nfs/dbraw/zinc/85/98/16/1266859816.db2.gz ISVWWMBNEONTPR-GVDBMIGSSA-N 2 0 341.927 2.734 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171068170 1278288140 /nfs/dbraw/zinc/28/81/40/1278288140.db2.gz DOUNAZOWWNLUQG-HNNXBMFYSA-N 2 0 335.517 2.711 20 30 EFEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171068753 1278289081 /nfs/dbraw/zinc/28/90/81/1278289081.db2.gz GJAGCIYQUOSPHR-IAGOWNOFSA-N 2 0 329.504 2.897 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001004423962 1266967158 /nfs/dbraw/zinc/96/71/58/1266967158.db2.gz DSNRUTKTDABYNC-QGZVFWFLSA-N 2 0 330.476 2.621 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429755 1266988250 /nfs/dbraw/zinc/98/82/50/1266988250.db2.gz OOEYOEAYIMZGNS-WOJBJXKFSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004455912 1267084052 /nfs/dbraw/zinc/08/40/52/1267084052.db2.gz BXYBKLMEOUQHNK-PMACEKPBSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004456277 1267084206 /nfs/dbraw/zinc/08/42/06/1267084206.db2.gz CVIANYSKJVBILL-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456729 1267085455 /nfs/dbraw/zinc/08/54/55/1267085455.db2.gz HDUFZNHIXOTYQD-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004456368 1267085641 /nfs/dbraw/zinc/08/56/41/1267085641.db2.gz FDMVDXGTIGGERJ-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456782 1267085823 /nfs/dbraw/zinc/08/58/23/1267085823.db2.gz HYTJPQKFMRFVAJ-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004465228 1267105730 /nfs/dbraw/zinc/10/57/30/1267105730.db2.gz BEKXTZLJUQQQNB-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478504 1267131576 /nfs/dbraw/zinc/13/15/76/1267131576.db2.gz WHXXBFAKTHBKQJ-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004478500 1267132161 /nfs/dbraw/zinc/13/21/61/1267132161.db2.gz WHXXBFAKTHBKQJ-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC001004490693 1267144685 /nfs/dbraw/zinc/14/46/85/1267144685.db2.gz RSBMSONOJJAIPZ-QGZVFWFLSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC001004490692 1267144879 /nfs/dbraw/zinc/14/48/79/1267144879.db2.gz RSBMSONOJJAIPZ-KRWDZBQOSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501186 1267186560 /nfs/dbraw/zinc/18/65/60/1267186560.db2.gz YIDFKTGPVXVARL-WOJBJXKFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004504042 1267191645 /nfs/dbraw/zinc/19/16/45/1267191645.db2.gz ALIRFFUMLNLHMJ-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004509842 1267208076 /nfs/dbraw/zinc/20/80/76/1267208076.db2.gz ZKSZFAGYMUCPIH-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004520956 1267209524 /nfs/dbraw/zinc/20/95/24/1267209524.db2.gz DCWGMFFXGCDNHR-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623859 1267218689 /nfs/dbraw/zinc/21/86/89/1267218689.db2.gz RJPCAPVDZDULIL-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001004572086 1267309163 /nfs/dbraw/zinc/30/91/63/1267309163.db2.gz ZCYVKATVNSXOPU-PMACEKPBSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584858 1267340110 /nfs/dbraw/zinc/34/01/10/1267340110.db2.gz BGQKSYKFBSJRDY-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631661 1267342906 /nfs/dbraw/zinc/34/29/06/1267342906.db2.gz SHLDYTSEWBLMPZ-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595431 1267361541 /nfs/dbraw/zinc/36/15/41/1267361541.db2.gz HCROAUGUCKDRQK-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595163 1267361865 /nfs/dbraw/zinc/36/18/65/1267361865.db2.gz FWLPBFSWDODZIN-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642402 1267447808 /nfs/dbraw/zinc/44/78/08/1267447808.db2.gz IDTHSQATYLMXTQ-WCIQWLHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657895 1267577296 /nfs/dbraw/zinc/57/72/96/1267577296.db2.gz XGZDGXRNAPUZFP-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273100745 1267674299 /nfs/dbraw/zinc/67/42/99/1267674299.db2.gz DDKOZTREQGGTEV-QGZVFWFLSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678254 1267699318 /nfs/dbraw/zinc/69/93/18/1267699318.db2.gz WFBMHTOIRSFWEC-CALCHBBNSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678268 1267699557 /nfs/dbraw/zinc/69/95/57/1267699557.db2.gz WXRDHXYZIYORTR-CALCHBBNSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697665 1267735008 /nfs/dbraw/zinc/73/50/08/1267735008.db2.gz WQLQDMLEOFPPGG-ZCNNSNEGSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598710 1267964620 /nfs/dbraw/zinc/96/46/20/1267964620.db2.gz YLQQVQVQQROHLS-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085648711 1268133620 /nfs/dbraw/zinc/13/36/20/1268133620.db2.gz UJODGAHEYDOGEY-PMACEKPBSA-N 2 0 343.515 2.507 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742287 1268391001 /nfs/dbraw/zinc/39/10/01/1268391001.db2.gz NEWFGIVZUHTCQO-IBGZPJMESA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875438 1268898397 /nfs/dbraw/zinc/89/83/97/1268898397.db2.gz ALYWQKCNTVUBFV-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366405 1268949458 /nfs/dbraw/zinc/94/94/58/1268949458.db2.gz WZCUKLNCWLXDFY-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108221122 1269051405 /nfs/dbraw/zinc/05/14/05/1269051405.db2.gz UCUSUWXXMSURSM-PKOBYXMFSA-N 2 0 341.540 2.504 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572338 1269470678 /nfs/dbraw/zinc/47/06/78/1269470678.db2.gz UWHQKZUTOMGTJF-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682562 1278502952 /nfs/dbraw/zinc/50/29/52/1278502952.db2.gz HOFFHKGDXFRCHC-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682561 1278503659 /nfs/dbraw/zinc/50/36/59/1278503659.db2.gz HOFFHKGDXFRCHC-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000742381648 1270013778 /nfs/dbraw/zinc/01/37/78/1270013778.db2.gz AUYCASONIOABBD-UHFFFAOYSA-N 2 0 327.403 2.928 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832467 1270295958 /nfs/dbraw/zinc/29/59/58/1270295958.db2.gz FWPIRSSEFDTUAF-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899385 1270525756 /nfs/dbraw/zinc/52/57/56/1270525756.db2.gz YGRXNKWEQZHLGN-SFHVURJKSA-N 2 0 326.444 2.837 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989962 1270784015 /nfs/dbraw/zinc/78/40/15/1270784015.db2.gz RIJXRBIHDCQQCH-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990797 1270786888 /nfs/dbraw/zinc/78/68/88/1270786888.db2.gz XTULPFUQSMLERQ-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005495512 1270795136 /nfs/dbraw/zinc/79/51/36/1270795136.db2.gz CXSSKBNLOVADEW-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045826 1270956800 /nfs/dbraw/zinc/95/68/00/1270956800.db2.gz NKEFDANPQZWQNL-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050080 1270965741 /nfs/dbraw/zinc/96/57/41/1270965741.db2.gz FKGJDCCOPPMKAJ-INIZCTEOSA-N 2 0 333.476 2.844 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034250570 1271425620 /nfs/dbraw/zinc/42/56/20/1271425620.db2.gz VBIJLVWNGBTXSR-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250428 1271426642 /nfs/dbraw/zinc/42/66/42/1271426642.db2.gz QHCVPMRUPHQETK-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367687 1271756038 /nfs/dbraw/zinc/75/60/38/1271756038.db2.gz HEBKDIZFYAPZLJ-AZUAARDMSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366651 1271786281 /nfs/dbraw/zinc/78/62/81/1271786281.db2.gz BZMZLGQBEOUSCP-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)CN1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034366118 1271786465 /nfs/dbraw/zinc/78/64/65/1271786465.db2.gz WXPFBMJBNWVICP-HNNXBMFYSA-N 2 0 339.867 2.678 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445405 1271971301 /nfs/dbraw/zinc/97/13/01/1271971301.db2.gz SLGWAJOPFZVXNQ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536961 1272237318 /nfs/dbraw/zinc/23/73/18/1272237318.db2.gz IXSGSKOMVUAQAL-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001034754318 1272831234 /nfs/dbraw/zinc/83/12/34/1272831234.db2.gz ZPAWUPUZXWCJPI-QBPKDAKJSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796566 1272990358 /nfs/dbraw/zinc/99/03/58/1272990358.db2.gz IYXZGTGMLXOLSS-VGWMRTNUSA-N 2 0 327.900 2.629 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108697318 1273385597 /nfs/dbraw/zinc/38/55/97/1273385597.db2.gz XLJUDNOPWGHHED-XIRDDKMYSA-N 2 0 347.528 2.969 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711543 1273408238 /nfs/dbraw/zinc/40/82/38/1273408238.db2.gz LLNGIKMVMWACAT-FHWLQOOXSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108739111 1273429477 /nfs/dbraw/zinc/42/94/77/1273429477.db2.gz QRULEHRSYRZRLW-KSZLIROESA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771605 1273460963 /nfs/dbraw/zinc/46/09/63/1273460963.db2.gz DDEFLDYUMHYLCV-OTWHNJEPSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772587 1273461613 /nfs/dbraw/zinc/46/16/13/1273461613.db2.gz WDNLNIXJAINDCN-FHWLQOOXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764027 1273466668 /nfs/dbraw/zinc/46/66/68/1273466668.db2.gz BSYRQCAKEIADOM-BZSNNMDCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005773412 1273519431 /nfs/dbraw/zinc/51/94/31/1273519431.db2.gz PXGDSRHJOHBVNS-LJQANCHMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001005773410 1273519457 /nfs/dbraw/zinc/51/94/57/1273519457.db2.gz PXGDSRHJOHBVNS-IBGZPJMESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108827967 1273537450 /nfs/dbraw/zinc/53/74/50/1273537450.db2.gz CRYPQWXPLDABDK-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828101 1273537462 /nfs/dbraw/zinc/53/74/62/1273537462.db2.gz GIYJSXWXLRKSFG-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184680 1273752569 /nfs/dbraw/zinc/75/25/69/1273752569.db2.gz HFLRBUFOGJQBKJ-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035199032 1273766456 /nfs/dbraw/zinc/76/64/56/1273766456.db2.gz ZSGPQJOJWRYTME-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035199179 1273766720 /nfs/dbraw/zinc/76/67/20/1273766720.db2.gz FKIMOWPIHLCNFG-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035204038 1273779753 /nfs/dbraw/zinc/77/97/53/1273779753.db2.gz WUZIQLMFQPZVBB-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193567 1273814676 /nfs/dbraw/zinc/81/46/76/1273814676.db2.gz GQMBFAYQJIWTRX-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193703 1273815192 /nfs/dbraw/zinc/81/51/92/1273815192.db2.gz NGVUYWVWWFFQPD-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233786 1273886628 /nfs/dbraw/zinc/88/66/28/1273886628.db2.gz MNFXBRDSMHBXES-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236769 1273897196 /nfs/dbraw/zinc/89/71/96/1273897196.db2.gz CUBAFOZWDDWPBI-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236841 1273899022 /nfs/dbraw/zinc/89/90/22/1273899022.db2.gz DXTNZWPPDHEXPY-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109443081 1274282828 /nfs/dbraw/zinc/28/28/28/1274282828.db2.gz VCLKUAQHVSXBDW-SQNIBIBYSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035707262 1274387368 /nfs/dbraw/zinc/38/73/68/1274387368.db2.gz OALUNYJBTJESDE-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035720168 1274406386 /nfs/dbraw/zinc/40/63/86/1274406386.db2.gz HEGTYCMSUMGSEZ-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810711 1274541065 /nfs/dbraw/zinc/54/10/65/1274541065.db2.gz QBXJLIDLGLEMCI-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814988 1274549221 /nfs/dbraw/zinc/54/92/21/1274549221.db2.gz XCAVTEXRQGYIOY-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@](C)(c1ccccc1)[NH+](C)C)CC2 ZINC001035836608 1274573484 /nfs/dbraw/zinc/57/34/84/1274573484.db2.gz BDLXENUBJDIBTI-FQEVSTJZSA-N 2 0 341.499 2.574 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836610 1274574375 /nfs/dbraw/zinc/57/43/75/1274574375.db2.gz LRXWHQUYFBXNCY-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837791 1274575122 /nfs/dbraw/zinc/57/51/22/1274575122.db2.gz MXLKIXLAJJEAKP-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035857286 1274605704 /nfs/dbraw/zinc/60/57/04/1274605704.db2.gz LJSUOIRKAOQYDF-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856894 1274605825 /nfs/dbraw/zinc/60/58/25/1274605825.db2.gz FEFUINQLKNHAMI-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001036028849 1274901566 /nfs/dbraw/zinc/90/15/66/1274901566.db2.gz GIGHWBPJIYKEOY-GOEBONIOSA-N 2 0 341.927 2.830 20 30 EFEDRP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982626 1274942709 /nfs/dbraw/zinc/94/27/09/1274942709.db2.gz LQMQFQOGLHRWBD-SQNIBIBYSA-N 2 0 333.520 2.774 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001112547516 1275112670 /nfs/dbraw/zinc/11/26/70/1275112670.db2.gz XIHKHSMQJZYXIF-ICSRJNTNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001036150983 1275123273 /nfs/dbraw/zinc/12/32/73/1275123273.db2.gz GSBCAEXKOJGVPZ-DOMZBBRYSA-N 2 0 339.867 2.534 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563251 1275187456 /nfs/dbraw/zinc/18/74/56/1275187456.db2.gz MYNRKUJLNNPDRF-HBFSDRIKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564161 1275192769 /nfs/dbraw/zinc/19/27/69/1275192769.db2.gz HFLOKJHPSMHTEM-LQWHRVPQSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567518 1275218159 /nfs/dbraw/zinc/21/81/59/1275218159.db2.gz UCWJUKMCZHFBBP-ICSRJNTNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2ccnc2C(C)C)C[C@@H]1C ZINC001036202813 1275219601 /nfs/dbraw/zinc/21/96/01/1275219601.db2.gz KVSXTWXMXFHTER-DLBZAZTESA-N 2 0 332.492 2.799 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112568106 1275221885 /nfs/dbraw/zinc/22/18/85/1275221885.db2.gz YENXBUGOWHHZRY-BJLQDIEVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001112585913 1275309692 /nfs/dbraw/zinc/30/96/92/1275309692.db2.gz YTRITQGVXSQFHW-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001112585242 1275320912 /nfs/dbraw/zinc/32/09/12/1275320912.db2.gz KEBNLEJRKDQSDP-FPOVZHCZSA-N 2 0 341.499 2.766 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001112589525 1275328990 /nfs/dbraw/zinc/32/89/90/1275328990.db2.gz DLGYMZLMYAOLOC-ICSRJNTNSA-N 2 0 333.520 2.657 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001036304869 1275387582 /nfs/dbraw/zinc/38/75/82/1275387582.db2.gz RINWGCOXARFSHI-KBXCAEBGSA-N 2 0 349.906 2.941 20 30 EFEDRP C#Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000787771649 1275904805 /nfs/dbraw/zinc/90/48/05/1275904805.db2.gz CYFYQUWGPASRCR-QFIPXVFZSA-N 2 0 333.479 2.746 20 30 EFEDRP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855127 1276110655 /nfs/dbraw/zinc/11/06/55/1276110655.db2.gz LJMIREVJXATSBT-RBUKOAKNSA-N 2 0 335.536 2.975 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000817918639 1276377141 /nfs/dbraw/zinc/37/71/41/1276377141.db2.gz LUZNELBQFNRJDS-BRWVUGGUSA-N 2 0 331.460 2.983 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001170896613 1276502176 /nfs/dbraw/zinc/50/21/76/1276502176.db2.gz YEJBIOCIMBJZNC-MAUKXSAKSA-N 2 0 347.507 2.631 20 30 EFEDRP N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900444 1276506367 /nfs/dbraw/zinc/50/63/67/1276506367.db2.gz UCJVTORYMBUVOU-LLVKDONJSA-N 2 0 342.205 2.988 20 30 EFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818962128 1276551631 /nfs/dbraw/zinc/55/16/31/1276551631.db2.gz YVIPWGWLCVZANM-QKLQHJQFSA-N 2 0 329.488 2.939 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871149 1276556093 /nfs/dbraw/zinc/55/60/93/1276556093.db2.gz KXWOIQXRTHECPS-GOSISDBHSA-N 2 0 335.536 2.997 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000819128594 1276642623 /nfs/dbraw/zinc/64/26/23/1276642623.db2.gz OKZNIAYOGLCLAD-HXUWFJFHSA-N 2 0 327.472 2.978 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049364 1276664912 /nfs/dbraw/zinc/66/49/12/1276664912.db2.gz MXFXJYWKPMCBAM-UHFFFAOYSA-N 2 0 344.503 2.799 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174904580 1287243367 /nfs/dbraw/zinc/24/33/67/1287243367.db2.gz COMSHKTZWVPRCX-PMPSAXMXSA-N 2 0 329.916 2.734 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859675 1276790031 /nfs/dbraw/zinc/79/00/31/1276790031.db2.gz ZUKKTVORAZPVOT-ZRNYENFQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859673 1276790674 /nfs/dbraw/zinc/79/06/74/1276790674.db2.gz ZUKKTVORAZPVOT-VNTMZGSJSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086829803 1276897255 /nfs/dbraw/zinc/89/72/55/1276897255.db2.gz QFIOMDGQODAIQS-PKOBYXMFSA-N 2 0 329.488 2.812 20 30 EFEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174960172 1287268490 /nfs/dbraw/zinc/26/84/90/1287268490.db2.gz FGSSTZRKHVTZSM-AWEZNQCLSA-N 2 0 348.329 2.501 20 30 EFEDRP C#CCN(C)CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000821213698 1277486252 /nfs/dbraw/zinc/48/62/52/1277486252.db2.gz OANDRRJOPWYMKD-UHFFFAOYSA-N 2 0 346.425 2.812 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001171199254 1279831155 /nfs/dbraw/zinc/83/11/55/1279831155.db2.gz XBYXCLQPSFAMQQ-QGZVFWFLSA-N 2 0 334.467 2.920 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114262656 1280066945 /nfs/dbraw/zinc/06/69/45/1280066945.db2.gz IBVKFUJFRLDVHE-HCXYKTFWSA-N 2 0 335.536 2.876 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001114285733 1280120450 /nfs/dbraw/zinc/12/04/50/1280120450.db2.gz SJESVKQYTPPIQP-LMCOJAPRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959316 1287420009 /nfs/dbraw/zinc/42/00/09/1287420009.db2.gz NOUKBUXIWZQTSH-UONOGXRCSA-N 2 0 347.850 2.506 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584824 1280940149 /nfs/dbraw/zinc/94/01/49/1280940149.db2.gz VFSJAAVGGVVYEN-QZTJIDSGSA-N 2 0 345.531 2.705 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\CC)CC1 ZINC001146610196 1280950682 /nfs/dbraw/zinc/95/06/82/1280950682.db2.gz IPBUDOKPGKJICT-BTFXCVNISA-N 2 0 333.520 2.561 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\CC)CC1 ZINC001146610199 1280951531 /nfs/dbraw/zinc/95/15/31/1280951531.db2.gz IPBUDOKPGKJICT-MZIIKBMYSA-N 2 0 333.520 2.561 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614628 1280952415 /nfs/dbraw/zinc/95/24/15/1280952415.db2.gz ZCMDHHYISXPTII-ROUUACIJSA-N 2 0 347.547 2.785 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CC ZINC001171308305 1281193597 /nfs/dbraw/zinc/19/35/97/1281193597.db2.gz QNMBJUNBWDZBAS-KAGICYHLSA-N 2 0 333.520 2.705 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170783758 1287479475 /nfs/dbraw/zinc/47/94/75/1287479475.db2.gz GQBCRQZPYYLVKF-MSOLQXFVSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658271 1281230287 /nfs/dbraw/zinc/23/02/87/1281230287.db2.gz NWAPVKRMXUSMQJ-DLBZAZTESA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147716590 1281242944 /nfs/dbraw/zinc/24/29/44/1281242944.db2.gz ITLMBAOISIVFGJ-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147717576 1281245683 /nfs/dbraw/zinc/24/56/83/1281245683.db2.gz ZSDSDIFPUBVKNL-RBUKOAKNSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774529 1281258267 /nfs/dbraw/zinc/25/82/67/1281258267.db2.gz XNHGXJBZIKCUAZ-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147749645 1281265301 /nfs/dbraw/zinc/26/53/01/1281265301.db2.gz ZUBAGBFWYVQGIR-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147852050 1281302285 /nfs/dbraw/zinc/30/22/85/1281302285.db2.gz SYALKCHKTBXDBX-MRXNPFEDSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147841441 1281313813 /nfs/dbraw/zinc/31/38/13/1281313813.db2.gz LJCWIKMCTUTACH-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C/C(=[NH+]\COC)n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170525129 1281325085 /nfs/dbraw/zinc/32/50/85/1281325085.db2.gz GTIRHDDTAWDVOO-LSDHQDQOSA-N 3 0 340.471 2.643 20 30 EFEDRP N#Cc1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528309 1281358418 /nfs/dbraw/zinc/35/84/18/1281358418.db2.gz KXLQHWGIAWQGID-UHFFFAOYSA-N 2 0 345.450 2.863 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391303 1281520087 /nfs/dbraw/zinc/52/00/87/1281520087.db2.gz RNGBYNUIOFIUDC-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604610 1281646750 /nfs/dbraw/zinc/64/67/50/1281646750.db2.gz IVMOQRYOGNZUME-GOSISDBHSA-N 2 0 335.536 2.833 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605749 1281650132 /nfs/dbraw/zinc/65/01/32/1281650132.db2.gz TZTTYPBGXNTMCN-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148612244 1281654243 /nfs/dbraw/zinc/65/42/43/1281654243.db2.gz XUMQLXZVLKIREC-LJQANCHMSA-N 2 0 341.499 2.790 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001148690209 1281709686 /nfs/dbraw/zinc/70/96/86/1281709686.db2.gz DETZVWWVNQIKQT-NRFANRHFSA-N 2 0 347.547 2.977 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)Cn3ccnc3C)C2)C1 ZINC001148754790 1281748869 /nfs/dbraw/zinc/74/88/69/1281748869.db2.gz GRBWNHYNTVPBTD-UHFFFAOYSA-N 2 0 332.492 2.696 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827921 1281756211 /nfs/dbraw/zinc/75/62/11/1281756211.db2.gz RNNUJHDAQFOCHF-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175727999 1287530712 /nfs/dbraw/zinc/53/07/12/1287530712.db2.gz AWIBYVPKFSQKGE-QGZVFWFLSA-N 2 0 329.488 2.650 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086922899 1281934064 /nfs/dbraw/zinc/93/40/64/1281934064.db2.gz CSJSQECVCGGVKC-PKOBYXMFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925440 1281944127 /nfs/dbraw/zinc/94/41/27/1281944127.db2.gz WWEMMTRUVPWHPO-GBESFXJTSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926230 1281945693 /nfs/dbraw/zinc/94/56/93/1281945693.db2.gz SJFDZDPOWIPIFQ-MOPGFXCFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938647 1281964455 /nfs/dbraw/zinc/96/44/55/1281964455.db2.gz WTBQOSCBKYERMB-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942109 1281971372 /nfs/dbraw/zinc/97/13/72/1281971372.db2.gz JBDXLBAVVYKYJG-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928759 1281991652 /nfs/dbraw/zinc/99/16/52/1281991652.db2.gz NWBONBLHTJPBAG-HZPDHXFCSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928760 1281992100 /nfs/dbraw/zinc/99/21/00/1281992100.db2.gz NWBONBLHTJPBAG-JKSUJKDBSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952832 1282015980 /nfs/dbraw/zinc/01/59/80/1282015980.db2.gz RLFJHKVBADIHLY-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086955968 1282024644 /nfs/dbraw/zinc/02/46/44/1282024644.db2.gz ARRDTTPPESDQIW-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000809636371 1282352842 /nfs/dbraw/zinc/35/28/42/1282352842.db2.gz ADNNMPQMTOQOJD-UHFFFAOYSA-N 2 0 326.484 2.992 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071244 1282369583 /nfs/dbraw/zinc/36/95/83/1282369583.db2.gz MUHGWXGJIWRZFX-ZVDOUQERSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092189776 1282448790 /nfs/dbraw/zinc/44/87/90/1282448790.db2.gz JHOICJUQFGGVNW-SBHAEUEKSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081053 1287577907 /nfs/dbraw/zinc/57/79/07/1287577907.db2.gz GHUOATWSHYSPPP-LSDHHAIUSA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302901 1282550080 /nfs/dbraw/zinc/55/00/80/1282550080.db2.gz FFAACRUEIRTLDH-DYXWJJEUSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129095 1283013165 /nfs/dbraw/zinc/01/31/65/1283013165.db2.gz SAJDLJAXGAKFBT-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906734 1283111715 /nfs/dbraw/zinc/11/17/15/1283111715.db2.gz DZSKBTHWZPNSLC-DJIMGWMZSA-N 2 0 341.927 2.545 20 30 EFEDRP CN(C)/C=[NH+]/c1ccc(N2c3ccccc3OC[C@H]2C[NH3+])cc1C#N ZINC001171392316 1283176218 /nfs/dbraw/zinc/17/62/18/1283176218.db2.gz CELLEWALAVLJIP-QLPFJNHISA-N 2 0 335.411 2.637 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754287 1283419012 /nfs/dbraw/zinc/41/90/12/1283419012.db2.gz DIOPFNDXHCWDCI-APWZRJJASA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754432 1283421657 /nfs/dbraw/zinc/42/16/57/1283421657.db2.gz FYTSHCFOLVUDGS-LPHOPBHVSA-N 2 0 338.455 2.755 20 30 EFEDRP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419993 1283512989 /nfs/dbraw/zinc/51/29/89/1283512989.db2.gz LKISORJQMVJKLJ-RTBURBONSA-N 2 0 335.536 2.881 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@@H]21 ZINC001036779221 1283607541 /nfs/dbraw/zinc/60/75/41/1283607541.db2.gz GVHYQGSQDOHBGY-QUCCMNQESA-N 2 0 341.499 2.513 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176022993 1287659241 /nfs/dbraw/zinc/65/92/41/1287659241.db2.gz FEEGELCVLICBMI-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001093369533 1283800725 /nfs/dbraw/zinc/80/07/25/1283800725.db2.gz BSZWWZQTPRIAFB-HXUWFJFHSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377052 1283829048 /nfs/dbraw/zinc/82/90/48/1283829048.db2.gz FQBGYIZHZIBYIL-RTBURBONSA-N 2 0 347.547 2.852 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093381756 1283847732 /nfs/dbraw/zinc/84/77/32/1283847732.db2.gz UCNOAQISMRPVDD-XLIONFOSSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382605 1283852157 /nfs/dbraw/zinc/85/21/57/1283852157.db2.gz BHQCNHPJXMGNCS-FQEVSTJZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842185 1284242023 /nfs/dbraw/zinc/24/20/23/1284242023.db2.gz LJEAMIXLLKDJGH-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112648 1287713985 /nfs/dbraw/zinc/71/39/85/1287713985.db2.gz XPDGAUXGUFSFCR-RXVVDRJESA-N 2 0 343.515 2.751 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112004 1287714107 /nfs/dbraw/zinc/71/41/07/1287714107.db2.gz LRBXLRFOANQLGO-WIYYLYMNSA-N 2 0 343.515 2.751 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112045 1287714492 /nfs/dbraw/zinc/71/44/92/1287714492.db2.gz MRZDKZIAPMRVCN-XLIONFOSSA-N 2 0 331.504 2.914 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132932139 1284485044 /nfs/dbraw/zinc/48/50/44/1284485044.db2.gz HAKGPTFHPCZOAG-ZWKOTPCHSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937041 1284489020 /nfs/dbraw/zinc/48/90/20/1284489020.db2.gz FWURJJMDNFAFCC-GDBMZVCRSA-N 2 0 326.444 2.517 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941928 1284497784 /nfs/dbraw/zinc/49/77/84/1284497784.db2.gz SPAHPOPAUDKANE-ROUUACIJSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953172 1284534810 /nfs/dbraw/zinc/53/48/10/1284534810.db2.gz BZKSGHUNAPZEEW-BBRMVZONSA-N 2 0 346.862 2.775 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011371 1284653852 /nfs/dbraw/zinc/65/38/52/1284653852.db2.gz JAIRYHMTISVKMN-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012439 1284655397 /nfs/dbraw/zinc/65/53/97/1284655397.db2.gz QZWAICLMEDPFQZ-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133063702 1284730207 /nfs/dbraw/zinc/73/02/07/1284730207.db2.gz GFPNBGBTLUJOQI-SJLPKXTDSA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162596 1284917106 /nfs/dbraw/zinc/91/71/06/1284917106.db2.gz OQOPURAYQHPQMB-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413415 1285036627 /nfs/dbraw/zinc/03/66/27/1285036627.db2.gz FLFRRELIUKDULN-NLWGTHIKSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001133336817 1285213609 /nfs/dbraw/zinc/21/36/09/1285213609.db2.gz GBULPOXNAVAJRL-LPHOPBHVSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337439 1285215816 /nfs/dbraw/zinc/21/58/16/1285215816.db2.gz NRPVLUMZGXGQSY-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337753 1285217203 /nfs/dbraw/zinc/21/72/03/1285217203.db2.gz PHDSOIPTRXMTNP-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133358476 1285254605 /nfs/dbraw/zinc/25/46/05/1285254605.db2.gz ALGXNBKSUBZQIO-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133358670 1285254784 /nfs/dbraw/zinc/25/47/84/1285254784.db2.gz CGQGCUROODFLHH-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001133392826 1285334132 /nfs/dbraw/zinc/33/41/32/1285334132.db2.gz PFYBRAHWIIQVPY-SFHVURJKSA-N 2 0 349.906 2.929 20 30 EFEDRP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001133392964 1285336341 /nfs/dbraw/zinc/33/63/41/1285336341.db2.gz VQQFGXUIMOIDQT-SFHVURJKSA-N 2 0 349.906 2.929 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133403959 1285356234 /nfs/dbraw/zinc/35/62/34/1285356234.db2.gz RJUUVWYTGZTAIK-MAUKXSAKSA-N 2 0 349.906 2.642 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902140 1285380109 /nfs/dbraw/zinc/38/01/09/1285380109.db2.gz FTIDTFXQGIFPEI-ICSRJNTNSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508872 1285615302 /nfs/dbraw/zinc/61/53/02/1285615302.db2.gz JFXWSJBXIPLOGO-INIZCTEOSA-N 2 0 341.927 2.880 20 30 EFEDRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001171509421 1285618428 /nfs/dbraw/zinc/61/84/28/1285618428.db2.gz PNADWIWKQZOTBQ-VQIMIIECSA-N 2 0 344.503 2.663 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923281 1285924138 /nfs/dbraw/zinc/92/41/38/1285924138.db2.gz FOCRJXFXLNSAMW-KRWDZBQOSA-N 2 0 331.504 2.855 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924102 1285924695 /nfs/dbraw/zinc/92/46/95/1285924695.db2.gz LVSOQZCDLVNWBI-GOSISDBHSA-N 2 0 343.515 2.692 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924103 1285925025 /nfs/dbraw/zinc/92/50/25/1285925025.db2.gz LVSOQZCDLVNWBI-SFHVURJKSA-N 2 0 343.515 2.692 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133894054 1286072514 /nfs/dbraw/zinc/07/25/14/1286072514.db2.gz VEUGQXQMVKNUBI-UHFFFAOYSA-N 2 0 331.504 2.857 20 30 EFEDRP COCCC[NH+]1CCC(NC(=[NH2+])c2ccc3cc(O)ccc3c2)CC1 ZINC001172247981 1286079271 /nfs/dbraw/zinc/07/92/71/1286079271.db2.gz SVKWIIZRXLUNEF-UHFFFAOYSA-N 2 0 341.455 2.752 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165719067 1312670190 /nfs/dbraw/zinc/67/01/90/1312670190.db2.gz ZHGJZQIKVZAUEY-UHFFFAOYSA-N 2 0 333.520 2.705 20 30 EFEDRP C[C@H](CCCC#N)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC001172476363 1286142293 /nfs/dbraw/zinc/14/22/93/1286142293.db2.gz KFGGGLSIWCGABD-QGZVFWFLSA-N 2 0 331.460 2.570 20 30 EFEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001172482882 1286145177 /nfs/dbraw/zinc/14/51/77/1286145177.db2.gz ARKWNRBZIKHHNH-IHPCNDPISA-N 2 0 332.536 2.997 20 30 EFEDRP C[C@@H](CCCC#N)[NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001172484792 1286145699 /nfs/dbraw/zinc/14/56/99/1286145699.db2.gz IKRPPKYOXOJRGT-INIZCTEOSA-N 2 0 340.512 2.895 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212134 1289071051 /nfs/dbraw/zinc/07/10/51/1289071051.db2.gz DVUOJBYGHWSQEI-UHFFFAOYSA-N 2 0 329.916 2.880 20 30 EFEDRP Cc1ccccc1NC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000170911398 1286387510 /nfs/dbraw/zinc/38/75/10/1286387510.db2.gz BFKBNJWGZFWJSY-UHFFFAOYSA-N 2 0 326.444 2.862 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001094999529 1286398271 /nfs/dbraw/zinc/39/82/71/1286398271.db2.gz HSODJZBSMGZIDB-IHPCNDPISA-N 2 0 341.499 2.559 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001095035769 1286439367 /nfs/dbraw/zinc/43/93/67/1286439367.db2.gz OHKLSDSXUHRPGA-SXLOBPIMSA-N 2 0 345.531 2.654 20 30 EFEDRP COc1cccc2c1C[C@H](NC(C)=[NH+]Cc1cccc(C[NH3+])c1)CO2 ZINC001173161815 1286447600 /nfs/dbraw/zinc/44/76/00/1286447600.db2.gz SDMIZBGIEFGDCK-KRWDZBQOSA-N 2 0 339.439 2.666 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170742343 1286524616 /nfs/dbraw/zinc/52/46/16/1286524616.db2.gz LEIMEVYKKGRYSE-HOTGVXAUSA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170742345 1286524783 /nfs/dbraw/zinc/52/47/83/1286524783.db2.gz LEIMEVYKKGRYSE-HZPDHXFCSA-N 2 0 329.916 2.876 20 30 EFEDRP C=CCOC1CCC([N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173322108 1286526675 /nfs/dbraw/zinc/52/66/75/1286526675.db2.gz ZKMQIHVGXHASPZ-FWGXRIOKSA-N 2 0 341.499 2.959 20 30 EFEDRP CC(C)N(C)Cc1nnc2n1CCCN(C1CCC(CC#N)CC1)C2 ZINC001173335721 1286529750 /nfs/dbraw/zinc/52/97/50/1286529750.db2.gz WESVEBFMIWDGKL-UHFFFAOYSA-N 2 0 344.507 2.796 20 30 EFEDRP C=CCOC1CCC([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001173318534 1286538638 /nfs/dbraw/zinc/53/86/38/1286538638.db2.gz ZDYURXHQGYROKP-UYSNPLJNSA-N 2 0 341.496 2.680 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370248 1286643490 /nfs/dbraw/zinc/64/34/90/1286643490.db2.gz ZFRJWSIXWGYCQW-HUUCEWRRSA-N 2 0 329.916 2.876 20 30 EFEDRP C=CCCCCC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170755178 1286867185 /nfs/dbraw/zinc/86/71/85/1286867185.db2.gz AMMJKNYWWQWXAI-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165728397 1312671182 /nfs/dbraw/zinc/67/11/82/1312671182.db2.gz QRMVMVQSQJXSLX-JKSUJKDBSA-N 2 0 339.911 2.632 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC(=C)C)CC1 ZINC001176737666 1288088892 /nfs/dbraw/zinc/08/88/92/1288088892.db2.gz MJXWAWVIWCJBMY-SFHVURJKSA-N 2 0 333.520 2.562 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176739628 1288089994 /nfs/dbraw/zinc/08/99/94/1288089994.db2.gz XTDVQLWTPSLRHL-KRWDZBQOSA-N 2 0 329.488 2.650 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176754189 1288120423 /nfs/dbraw/zinc/12/04/23/1288120423.db2.gz SSAMROJRJKMLFB-QGZVFWFLSA-N 2 0 344.503 2.663 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001176926437 1288176371 /nfs/dbraw/zinc/17/63/71/1288176371.db2.gz MIKBXDKCVDHFHE-HXUWFJFHSA-N 2 0 341.499 2.579 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001177317426 1288385436 /nfs/dbraw/zinc/38/54/36/1288385436.db2.gz WIBYGQYINDCZHK-HXUWFJFHSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784872 1288393606 /nfs/dbraw/zinc/39/36/06/1288393606.db2.gz YYHGHKDSISQIDB-YQVWRLOYSA-N 2 0 333.520 2.844 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001177335832 1288397035 /nfs/dbraw/zinc/39/70/35/1288397035.db2.gz MKJLTQKJAPSGFN-HXUWFJFHSA-N 2 0 347.547 2.883 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001177348162 1288413219 /nfs/dbraw/zinc/41/32/19/1288413219.db2.gz AVAYUGUFZITVED-VQTJNVASSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)c1occc1C[NH+](C)C ZINC001177398165 1288419433 /nfs/dbraw/zinc/41/94/33/1288419433.db2.gz MQATUDLVABCQJY-UHFFFAOYSA-N 2 0 345.487 2.587 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001177416248 1288424780 /nfs/dbraw/zinc/42/47/80/1288424780.db2.gz XMMBDUDNESPUNS-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440578 1288442434 /nfs/dbraw/zinc/44/24/34/1288442434.db2.gz LVXPZTWCAXJYTQ-WOJBJXKFSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001177448078 1288443616 /nfs/dbraw/zinc/44/36/16/1288443616.db2.gz DCXYELPLIZGFSI-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902657 1288570788 /nfs/dbraw/zinc/57/07/88/1288570788.db2.gz XDMJLAYPOZLVMV-SJORKVTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902654 1288570962 /nfs/dbraw/zinc/57/09/62/1288570962.db2.gz XDMJLAYPOZLVMV-DLBZAZTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cn1 ZINC001135915846 1288594916 /nfs/dbraw/zinc/59/49/16/1288594916.db2.gz CTXAKQLPHNMBAR-ZIAGYGMSSA-N 2 0 347.850 2.506 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353310 1302763297 /nfs/dbraw/zinc/76/32/97/1302763297.db2.gz PPJXWMBORMBPBI-XDNAFOTISA-N 2 0 341.515 2.683 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203355534 1288673902 /nfs/dbraw/zinc/67/39/02/1288673902.db2.gz ZJIGLYMRSKYCET-HNNXBMFYSA-N 2 0 330.476 2.697 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)cc1 ZINC001170875352 1288707981 /nfs/dbraw/zinc/70/79/81/1288707981.db2.gz VWFSLWAUWMQBHW-QRVBRYPASA-N 2 0 343.471 2.573 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456624 1305221504 /nfs/dbraw/zinc/22/15/04/1305221504.db2.gz XXXPRIBASSDNJG-BWTSREIZSA-N 2 0 347.547 2.879 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483891 1288800756 /nfs/dbraw/zinc/80/07/56/1288800756.db2.gz JNBVFMRXZDYJPG-IRXDYDNUSA-N 2 0 341.927 2.880 20 30 EFEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178617059 1288838669 /nfs/dbraw/zinc/83/86/69/1288838669.db2.gz BCLNQOXYOKLIPK-QGZVFWFLSA-N 2 0 329.504 2.899 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(CC)CC ZINC001178722910 1288867592 /nfs/dbraw/zinc/86/75/92/1288867592.db2.gz VAHFCFWGCLWCJH-IBGZPJMESA-N 2 0 335.536 2.786 20 30 EFEDRP COC(=O)c1ccc(C(=N)Nc2ccc([NH+]=CN(C)C)c(C#N)c2)cc1 ZINC001170983981 1288933108 /nfs/dbraw/zinc/93/31/08/1288933108.db2.gz IROFNHKLUWWCQL-WSDLNYQXSA-N 2 0 349.394 2.603 20 30 EFEDRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001178816240 1288946164 /nfs/dbraw/zinc/94/61/64/1288946164.db2.gz YFZLKXQWCGSIEA-LJQANCHMSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035717 1289391517 /nfs/dbraw/zinc/39/15/17/1289391517.db2.gz PKGWRMNBZYJMIZ-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001180124415 1289427341 /nfs/dbraw/zinc/42/73/41/1289427341.db2.gz VMAYAVKHRMCURM-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CCC)[C@@H]2C)CC1 ZINC001180204610 1289442538 /nfs/dbraw/zinc/44/25/38/1289442538.db2.gz VSUVSTYYUFKODD-KDCRJJDASA-N 2 0 345.531 2.657 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC000873221440 1289655683 /nfs/dbraw/zinc/65/56/83/1289655683.db2.gz KIWHZMQXPWAKNV-UHFFFAOYSA-N 2 0 338.480 2.588 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873262698 1289688898 /nfs/dbraw/zinc/68/88/98/1289688898.db2.gz BKMDTCJUEVUJPQ-NUZGMZIFSA-N 2 0 338.499 2.643 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001181467741 1289799195 /nfs/dbraw/zinc/79/91/95/1289799195.db2.gz DHLWRDMATNLHET-LVCYWYKZSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441144 1289806919 /nfs/dbraw/zinc/80/69/19/1289806919.db2.gz MJDGMKAMSHHHHP-WSTZPKSXSA-N 2 0 335.536 2.900 20 30 EFEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000903474547 1312737217 /nfs/dbraw/zinc/73/72/17/1312737217.db2.gz OIQZMIJKFCPYKE-GOSISDBHSA-N 2 0 333.863 2.802 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518058 1289851558 /nfs/dbraw/zinc/85/15/58/1289851558.db2.gz NXMCCKUWIRZTMO-AJYBTWMASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001181647339 1289883239 /nfs/dbraw/zinc/88/32/39/1289883239.db2.gz FXKLMQMTXFIFPV-RDTXWAMCSA-N 2 0 335.517 2.684 20 30 EFEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001181647245 1289883543 /nfs/dbraw/zinc/88/35/43/1289883543.db2.gz CMLGCYQAHWZVCF-DNVCBOLYSA-N 2 0 347.528 2.521 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720942 1289916098 /nfs/dbraw/zinc/91/60/98/1289916098.db2.gz VBYHMRAYVQAQQD-WSTZPKSXSA-N 2 0 335.536 2.615 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)cc1C#N ZINC001232609353 1312743725 /nfs/dbraw/zinc/74/37/25/1312743725.db2.gz YVJJZZWQIRVZHV-UHFFFAOYSA-N 2 0 336.911 2.917 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001181763764 1289932297 /nfs/dbraw/zinc/93/22/97/1289932297.db2.gz KADXFPMDQLOWIU-LVCYWYKZSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001181884330 1289990398 /nfs/dbraw/zinc/99/03/98/1289990398.db2.gz FQVVQHCGQWOXPT-IEBWSBKVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001181992541 1290026494 /nfs/dbraw/zinc/02/64/94/1290026494.db2.gz NWHMRFQRZOXHDX-FOIQADDNSA-N 2 0 340.471 2.907 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016380024 1312758495 /nfs/dbraw/zinc/75/84/95/1312758495.db2.gz BXMUXXDODWLIKH-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806888 1290256540 /nfs/dbraw/zinc/25/65/40/1290256540.db2.gz OBISXHDOTOIDKK-WSTZPKSXSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517119 1290353139 /nfs/dbraw/zinc/35/31/39/1290353139.db2.gz QCLMLDOSBABZJU-QWFCFKBJSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183517115 1290353679 /nfs/dbraw/zinc/35/36/79/1290353679.db2.gz PRNZNKGLYNMPJF-WSTZPKSXSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001184497650 1290461921 /nfs/dbraw/zinc/46/19/21/1290461921.db2.gz MFZUNJVOZJNOLW-HZPDHXFCSA-N 2 0 347.528 2.521 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184652122 1290488323 /nfs/dbraw/zinc/48/83/23/1290488323.db2.gz KVGLFGCCCLDDCL-ROUUACIJSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184700387 1290495866 /nfs/dbraw/zinc/49/58/66/1290495866.db2.gz CYKDOYAIJZMGAN-GOEBONIOSA-N 2 0 326.444 2.517 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184682252 1290499097 /nfs/dbraw/zinc/49/90/97/1290499097.db2.gz CEGIUXJFLSBAQC-ROUUACIJSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184723636 1290504190 /nfs/dbraw/zinc/50/41/90/1290504190.db2.gz JIWNOJUCITYRRK-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184735620 1290507835 /nfs/dbraw/zinc/50/78/35/1290507835.db2.gz QAPOFUDIRPWLIG-WMZOPIPTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001184882753 1290535603 /nfs/dbraw/zinc/53/56/03/1290535603.db2.gz NZWFESMWGHHNCS-HKUYNNGSSA-N 2 0 343.515 2.665 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184882983 1290535841 /nfs/dbraw/zinc/53/58/41/1290535841.db2.gz PYNSTOVROCZIJG-RBUKOAKNSA-N 2 0 347.547 2.596 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185087351 1290583276 /nfs/dbraw/zinc/58/32/76/1290583276.db2.gz YHMQOBBQXFUFNS-ZWKOTPCHSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001185212771 1290621526 /nfs/dbraw/zinc/62/15/26/1290621526.db2.gz CDYGJSNRCNRBRW-QZTJIDSGSA-N 2 0 344.503 2.691 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185517355 1290696159 /nfs/dbraw/zinc/69/61/59/1290696159.db2.gz QRIHLNWRLLVBOK-IAGOWNOFSA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185517845 1290697951 /nfs/dbraw/zinc/69/79/51/1290697951.db2.gz UFBUZRAMLMVSCS-HOCLYGCPSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185740661 1290753592 /nfs/dbraw/zinc/75/35/92/1290753592.db2.gz CYXQAHWFTRRWLV-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185741109 1290753653 /nfs/dbraw/zinc/75/36/53/1290753653.db2.gz HMLBPCVERIAJCT-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001185749732 1290762341 /nfs/dbraw/zinc/76/23/41/1290762341.db2.gz DYFIBBJBERLMBS-DLBZAZTESA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232493 1290965917 /nfs/dbraw/zinc/96/59/17/1290965917.db2.gz WMPNSKCICIEXBT-IAGOWNOFSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203232870 1291027491 /nfs/dbraw/zinc/02/74/91/1291027491.db2.gz XVGQZFWOWUZQGZ-ZWKOTPCHSA-N 2 0 333.520 2.844 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233038 1291064746 /nfs/dbraw/zinc/06/47/46/1291064746.db2.gz ZHIZPRWGJKTWGV-RBUKOAKNSA-N 2 0 345.531 2.681 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186994136 1291075757 /nfs/dbraw/zinc/07/57/57/1291075757.db2.gz BBIZGIHEIJEEJP-QUCCMNQESA-N 2 0 329.488 2.620 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001186994137 1291076460 /nfs/dbraw/zinc/07/64/60/1291076460.db2.gz BBIZGIHEIJEEJP-UYAOXDASSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751519 1312835416 /nfs/dbraw/zinc/83/54/16/1312835416.db2.gz UMTCTNOOFBLZDJ-GOSISDBHSA-N 2 0 331.504 2.612 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793558 1312843242 /nfs/dbraw/zinc/84/32/42/1312843242.db2.gz UMJJWFMMKYKFTL-MRXNPFEDSA-N 2 0 341.927 2.737 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793277 1312843456 /nfs/dbraw/zinc/84/34/56/1312843456.db2.gz HRHBYMDONLKOPY-SFHVURJKSA-N 2 0 335.536 2.951 20 30 EFEDRP CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233082994 1312852458 /nfs/dbraw/zinc/85/24/58/1312852458.db2.gz OCNQVGGIEYCNEN-FQEVSTJZSA-N 2 0 327.472 2.942 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689686 1291445004 /nfs/dbraw/zinc/44/50/04/1291445004.db2.gz AHDCKCRIDGYUTP-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035483 1291555467 /nfs/dbraw/zinc/55/54/67/1291555467.db2.gz ZPFACUHCDRWWDX-RBUKOAKNSA-N 2 0 335.536 2.831 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957544945 1291739275 /nfs/dbraw/zinc/73/92/75/1291739275.db2.gz CDJLRORAVUZBNB-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552557 1291752987 /nfs/dbraw/zinc/75/29/87/1291752987.db2.gz SJRTUDLJUBVEFN-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957556068 1291759025 /nfs/dbraw/zinc/75/90/25/1291759025.db2.gz XIHHEURFKOSYIA-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779466 1312881185 /nfs/dbraw/zinc/88/11/85/1312881185.db2.gz HXEMUGFDJYIVOT-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC1 ZINC000957585772 1291805557 /nfs/dbraw/zinc/80/55/57/1291805557.db2.gz KSDXQVMPRBHHML-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779893 1312881819 /nfs/dbraw/zinc/88/18/19/1312881819.db2.gz VJHYZHNZUNFITJ-UYAOXDASSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779891 1312882388 /nfs/dbraw/zinc/88/23/88/1312882388.db2.gz VJHYZHNZUNFITJ-ICSRJNTNSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000957606021 1291859813 /nfs/dbraw/zinc/85/98/13/1291859813.db2.gz VUDAHVUEUDQGTO-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788102 1291862125 /nfs/dbraw/zinc/86/21/25/1291862125.db2.gz SVNJKQVOIMXOFW-GBESFXJTSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)Cn3ccnc3C(C)C)CC2)CC1 ZINC000957614438 1291884210 /nfs/dbraw/zinc/88/42/10/1291884210.db2.gz HWMRQXASMQDQFG-UHFFFAOYSA-N 2 0 344.503 2.897 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000957617492 1291891357 /nfs/dbraw/zinc/89/13/57/1291891357.db2.gz NMVMZLXVCTZTMM-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CC1 ZINC000957633401 1291928504 /nfs/dbraw/zinc/92/85/04/1291928504.db2.gz FNJJWTWLHJVLGN-UHFFFAOYSA-N 2 0 342.487 2.652 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647503 1291959975 /nfs/dbraw/zinc/95/99/75/1291959975.db2.gz KMPSKLVYKGIJEJ-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176692 1292043589 /nfs/dbraw/zinc/04/35/89/1292043589.db2.gz OOPJZDDDUYRGAM-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016655106 1312907222 /nfs/dbraw/zinc/90/72/22/1312907222.db2.gz MTZFJHRVQDRWBV-RTBURBONSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479048 1312908622 /nfs/dbraw/zinc/90/86/22/1312908622.db2.gz XHONWSADRQKUNU-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428224 1312922190 /nfs/dbraw/zinc/92/21/90/1312922190.db2.gz XFEPWLAAQWWKMA-DLBZAZTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428225 1312922393 /nfs/dbraw/zinc/92/23/93/1312922393.db2.gz XFEPWLAAQWWKMA-IAGOWNOFSA-N 2 0 335.536 2.948 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462931 1312930084 /nfs/dbraw/zinc/93/00/84/1312930084.db2.gz UAUMDHXRJRGWJG-QZTJIDSGSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203505657 1312941091 /nfs/dbraw/zinc/94/10/91/1312941091.db2.gz FFKUVBJDDRLFKX-RBUKOAKNSA-N 2 0 341.499 2.955 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203507576 1312941378 /nfs/dbraw/zinc/94/13/78/1312941378.db2.gz SXUMLPMDHGBMNM-MSOLQXFVSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967489 1292741526 /nfs/dbraw/zinc/74/15/26/1292741526.db2.gz ISZYYJDCJMNEDL-FHWLQOOXSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203537356 1312949790 /nfs/dbraw/zinc/94/97/90/1312949790.db2.gz COAPFWOACNHPCH-MSOLQXFVSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540988 1312951284 /nfs/dbraw/zinc/95/12/84/1312951284.db2.gz ZGNYWTLWZPOQCM-ZWKOTPCHSA-N 2 0 333.520 2.702 20 30 EFEDRP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128896705 1292801092 /nfs/dbraw/zinc/80/10/92/1292801092.db2.gz HIQRQJCNQRPPPK-SWLSCSKDSA-N 2 0 336.430 2.645 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203557811 1312955775 /nfs/dbraw/zinc/95/57/75/1312955775.db2.gz PVTGGQYRGDMCNX-MSOLQXFVSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754557 1312960270 /nfs/dbraw/zinc/96/02/70/1312960270.db2.gz OMGDXRMHOKDQFG-OALUTQOASA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588213 1312964218 /nfs/dbraw/zinc/96/42/18/1312964218.db2.gz JFADJPFLRCKUJA-RBUKOAKNSA-N 2 0 345.531 2.702 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680955 1292985231 /nfs/dbraw/zinc/98/52/31/1292985231.db2.gz ZXRFDHGRDOYCME-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680953 1292985705 /nfs/dbraw/zinc/98/57/05/1292985705.db2.gz ZXRFDHGRDOYCME-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203606753 1312969564 /nfs/dbraw/zinc/96/95/64/1312969564.db2.gz QOYLXNNCEAAROW-MOPGFXCFSA-N 2 0 347.547 2.929 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203607597 1312969572 /nfs/dbraw/zinc/96/95/72/1312969572.db2.gz XTIUIAWDZSDMDL-RTBURBONSA-N 2 0 347.547 2.929 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614056 1312971374 /nfs/dbraw/zinc/97/13/74/1312971374.db2.gz HMAGVVWHJUHXCR-MSOLQXFVSA-N 2 0 345.531 2.846 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049536432 1312978997 /nfs/dbraw/zinc/97/89/97/1312978997.db2.gz NQJJVIBJMQXIIR-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193384014 1293283857 /nfs/dbraw/zinc/28/38/57/1293283857.db2.gz ZNZIWGQGTFYMPO-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408518 1293295047 /nfs/dbraw/zinc/29/50/47/1293295047.db2.gz LWNNUPWUKHPTDE-UYAOXDASSA-N 2 0 329.488 2.572 20 30 EFEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423924 1293301719 /nfs/dbraw/zinc/30/17/19/1293301719.db2.gz HSLKSLSMWHBLRS-RTBURBONSA-N 2 0 329.488 2.788 20 30 EFEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193425126 1293305024 /nfs/dbraw/zinc/30/50/24/1293305024.db2.gz SWAYNFXKPCSEKA-RTBURBONSA-N 2 0 329.488 2.788 20 30 EFEDRP CCc1cnc(CNC(NC2CC[NH+](C3CCCC3)CC2)=[NH+]C)s1 ZINC000130400264 1293370423 /nfs/dbraw/zinc/37/04/23/1293370423.db2.gz SFQXOXCZZYLXSK-UHFFFAOYSA-N 2 0 349.548 2.778 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729451 1313000206 /nfs/dbraw/zinc/00/02/06/1313000206.db2.gz GQUQAINJELLBCH-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729446 1313000723 /nfs/dbraw/zinc/00/07/23/1313000723.db2.gz GQUQAINJELLBCH-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193786055 1293429534 /nfs/dbraw/zinc/42/95/34/1293429534.db2.gz DFPYFFRAJWYBKF-GOSISDBHSA-N 2 0 332.492 2.632 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275079 1293561864 /nfs/dbraw/zinc/56/18/64/1293561864.db2.gz NTIONNQZBGVSRP-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772764 1313011596 /nfs/dbraw/zinc/01/15/96/1313011596.db2.gz SUZCAEVXCIAEMG-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563102 1313018679 /nfs/dbraw/zinc/01/86/79/1313018679.db2.gz CDVCYZVNUOAGCE-MOPGFXCFSA-N 2 0 345.531 2.728 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001016862945 1313016688 /nfs/dbraw/zinc/01/66/88/1313016688.db2.gz LVULKGDDFVTCSS-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823007 1313024692 /nfs/dbraw/zinc/02/46/92/1313024692.db2.gz DLPWYIVSKWTZDS-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823006 1313024697 /nfs/dbraw/zinc/02/46/97/1313024697.db2.gz DLPWYIVSKWTZDS-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203870126 1313037637 /nfs/dbraw/zinc/03/76/37/1313037637.db2.gz XXBWREALALCCMZ-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922478 1313044203 /nfs/dbraw/zinc/04/42/03/1313044203.db2.gz DIKIUFWZQYWOCS-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001203903472 1313045020 /nfs/dbraw/zinc/04/50/20/1313045020.db2.gz VJTRYIGWXMLYQN-HXUWFJFHSA-N 2 0 327.472 2.881 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001205751489 1294114183 /nfs/dbraw/zinc/11/41/83/1294114183.db2.gz FHKFYRVHQRIKHD-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155647 1294152173 /nfs/dbraw/zinc/15/21/73/1294152173.db2.gz PYJBKSKCZGNMQO-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388147 1294220234 /nfs/dbraw/zinc/22/02/34/1294220234.db2.gz DSWSNFXGRQBYFF-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)CN1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641417 1294301615 /nfs/dbraw/zinc/30/16/15/1294301615.db2.gz FVXMMJCYXGYQTB-UHFFFAOYSA-N 2 0 341.927 2.928 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001016990090 1313075123 /nfs/dbraw/zinc/07/51/23/1313075123.db2.gz JINVWZVVWPUVLL-GOSISDBHSA-N 2 0 345.487 2.892 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000303722492 1294569071 /nfs/dbraw/zinc/56/90/71/1294569071.db2.gz YHOJAMIHSGFBRY-CQSZACIVSA-N 2 0 328.382 2.594 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303771736 1294577553 /nfs/dbraw/zinc/57/75/53/1294577553.db2.gz CWQVSOXVDUCXJA-CALCHBBNSA-N 2 0 346.519 2.746 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1C(F)(F)F ZINC000303772009 1294578318 /nfs/dbraw/zinc/57/83/18/1294578318.db2.gz DGTGPOFELFTMBZ-CYBMUJFWSA-N 2 0 346.372 2.733 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccc(C)cc1 ZINC000303779880 1294579049 /nfs/dbraw/zinc/57/90/49/1294579049.db2.gz KXWFRUUDDPVUOW-KRWDZBQOSA-N 2 0 334.533 2.617 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000303775807 1294579694 /nfs/dbraw/zinc/57/96/94/1294579694.db2.gz HDOWHSPFYQFOPF-WMZOPIPTSA-N 2 0 332.492 2.543 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303783212 1294581427 /nfs/dbraw/zinc/58/14/27/1294581427.db2.gz OADFPOFEPXSCNN-AWEZNQCLSA-N 2 0 334.464 2.695 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000303789397 1294581694 /nfs/dbraw/zinc/58/16/94/1294581694.db2.gz VHNGNAFKUSLCAZ-UHFFFAOYSA-N 2 0 334.464 2.695 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000303885112 1294598371 /nfs/dbraw/zinc/59/83/71/1294598371.db2.gz MZBHTBRPRCNSPA-QGZVFWFLSA-N 2 0 332.492 2.610 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303890789 1294598416 /nfs/dbraw/zinc/59/84/16/1294598416.db2.gz MQCHBNWERIDURH-ULQDDVLXSA-N 2 0 346.519 2.604 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC000303898711 1294599602 /nfs/dbraw/zinc/59/96/02/1294599602.db2.gz VQOYFMBXCIMDSS-AUUYWEPGSA-N 2 0 348.491 2.941 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+](C)[C@H](C)CC)c1 ZINC000303974473 1294614503 /nfs/dbraw/zinc/61/45/03/1294614503.db2.gz HVURGKKXMCZNOG-CQSZACIVSA-N 2 0 336.480 2.941 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345433 1313109808 /nfs/dbraw/zinc/10/98/08/1313109808.db2.gz IIVPOFBIDVWMPL-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640239 1313121770 /nfs/dbraw/zinc/12/17/70/1313121770.db2.gz UMRUXALXXLIOPL-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617643 1295143729 /nfs/dbraw/zinc/14/37/29/1295143729.db2.gz PRLMEBJQTUSACJ-ROUUACIJSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198767222 1295242426 /nfs/dbraw/zinc/24/24/26/1295242426.db2.gz MXROTOYZWWTZOH-HKUYNNGSSA-N 2 0 347.503 2.604 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198774826 1295245121 /nfs/dbraw/zinc/24/51/21/1295245121.db2.gz BFEYYNGGADBCEU-MSOLQXFVSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865449 1295306749 /nfs/dbraw/zinc/30/67/49/1295306749.db2.gz KXFKRCCEACTKGE-GOSISDBHSA-N 2 0 347.503 2.750 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885429 1295319020 /nfs/dbraw/zinc/31/90/20/1295319020.db2.gz HCDPDSWMPWSETQ-IEBWSBKVSA-N 2 0 347.503 2.604 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1OC ZINC001198983451 1295375126 /nfs/dbraw/zinc/37/51/26/1295375126.db2.gz DNRLUQIHRIMMFD-GOSISDBHSA-N 2 0 345.487 2.504 20 30 EFEDRP N#Cc1ccccc1N1CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001204621871 1313174267 /nfs/dbraw/zinc/17/42/67/1313174267.db2.gz PZIYBYNSGPMYAG-UHFFFAOYSA-N 2 0 332.451 2.526 20 30 EFEDRP CCCCNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304753106 1295748695 /nfs/dbraw/zinc/74/86/95/1295748695.db2.gz KXCMNNUVGQGXOL-INIZCTEOSA-N 2 0 332.492 2.591 20 30 EFEDRP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1cccc(C)c1 ZINC000304759203 1295749910 /nfs/dbraw/zinc/74/99/10/1295749910.db2.gz QXYRMOLYPOXVEY-SJORKVTESA-N 2 0 332.492 2.541 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC1CC1 ZINC000304952532 1295793629 /nfs/dbraw/zinc/79/36/29/1295793629.db2.gz TXUGIUKRMXSUDM-SFHVURJKSA-N 2 0 344.503 2.672 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001204843905 1313202046 /nfs/dbraw/zinc/20/20/46/1313202046.db2.gz ZTSPMHHPFXUSQJ-SFHVURJKSA-N 2 0 349.519 2.877 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718801 1313220692 /nfs/dbraw/zinc/22/06/92/1313220692.db2.gz NYMVRTYSELUEJB-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718805 1313220872 /nfs/dbraw/zinc/22/08/72/1313220872.db2.gz NYMVRTYSELUEJB-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C#Cc1ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)cc1 ZINC001275132337 1296235737 /nfs/dbraw/zinc/23/57/37/1296235737.db2.gz QUBDOHWCYQSWAX-RTWAWAEBSA-N 2 0 325.500 2.754 20 30 EFEDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)cc(C#N)c3)(C1)CCC2 ZINC001275413391 1296274698 /nfs/dbraw/zinc/27/46/98/1296274698.db2.gz JYGJHHMVAVGCMH-VQTJNVASSA-N 2 0 344.478 2.784 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283526 1313264541 /nfs/dbraw/zinc/26/45/41/1313264541.db2.gz DNPHDKFSPGFSBP-RTBURBONSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205306937 1313267637 /nfs/dbraw/zinc/26/76/37/1313267637.db2.gz GKOYDGSODRMDTR-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205315024 1313269125 /nfs/dbraw/zinc/26/91/25/1313269125.db2.gz YIYPGSNERBMMBM-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]3CC2)cc1C#N ZINC001277930399 1313261924 /nfs/dbraw/zinc/26/19/24/1313261924.db2.gz HYIYHTKYWWTXGE-HDICACEKSA-N 2 0 326.488 2.983 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334429 1313270975 /nfs/dbraw/zinc/27/09/75/1313270975.db2.gz LRYWZQIYODQTHG-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053619 1296567225 /nfs/dbraw/zinc/56/72/25/1296567225.db2.gz VAQDNBDBWXBNBS-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049766760 1313276759 /nfs/dbraw/zinc/27/67/59/1313276759.db2.gz MXSGZQZNRLHZFS-GBESFXJTSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049767675 1313277801 /nfs/dbraw/zinc/27/78/01/1313277801.db2.gz QDRPDFVUXSNQEB-QRVBRYPASA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768699 1313279538 /nfs/dbraw/zinc/27/95/38/1313279538.db2.gz YQMAGFLXRPOMED-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201238542 1296644243 /nfs/dbraw/zinc/64/42/43/1296644243.db2.gz AORMVKHUFJGFAB-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960272570 1296683395 /nfs/dbraw/zinc/68/33/95/1296683395.db2.gz DZOHYGMSBWYGKQ-HSALFYBXSA-N 2 0 341.499 2.809 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205452564 1313292232 /nfs/dbraw/zinc/29/22/32/1313292232.db2.gz IHFYPWTWZHWPIN-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205463965 1313294440 /nfs/dbraw/zinc/29/44/40/1313294440.db2.gz BUSBFTYZMWCWCC-IBGZPJMESA-N 2 0 335.536 2.759 20 30 EFEDRP CCn1ccnc1CN1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277942969 1313313992 /nfs/dbraw/zinc/31/39/92/1313313992.db2.gz IDKGIWFHEIWNPR-UHFFFAOYSA-N 2 0 329.492 2.885 20 30 EFEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCCC#N)(C2)CCC3)cc1C#N ZINC001277943066 1313315150 /nfs/dbraw/zinc/31/51/50/1313315150.db2.gz LZXTYGYTEGDFMJ-MOPGFXCFSA-N 2 0 325.460 2.725 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807465 1313323401 /nfs/dbraw/zinc/32/34/01/1313323401.db2.gz SSMKBUOCFSNKHE-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3c(F)cc(F)cc3C#N)cc[nH+]2)CC1 ZINC001201667753 1296980254 /nfs/dbraw/zinc/98/02/54/1296980254.db2.gz IDEFRJCIIHYBSY-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3c(F)ccc(F)c3C#N)cc[nH+]2)CC1 ZINC001201672802 1296983958 /nfs/dbraw/zinc/98/39/58/1296983958.db2.gz MQKYGCWRRKSMBH-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP Cc1cc(Cl)nc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1C#N ZINC001201659233 1297008121 /nfs/dbraw/zinc/00/81/21/1297008121.db2.gz SGTFNGMPMXTGFX-UHFFFAOYSA-N 2 0 342.834 2.806 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793773 1297081383 /nfs/dbraw/zinc/08/13/83/1297081383.db2.gz LNHZCTNSLCIJRH-LPHOPBHVSA-N 2 0 333.520 2.796 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201930188 1297155178 /nfs/dbraw/zinc/15/51/78/1297155178.db2.gz BLFBSQMRPLVEJG-GOSISDBHSA-N 2 0 341.540 2.506 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751469 1313349692 /nfs/dbraw/zinc/34/96/92/1313349692.db2.gz DOQVSRYFIJGAON-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCCN(C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235577246 1313354094 /nfs/dbraw/zinc/35/40/94/1313354094.db2.gz YXLRVGDZHATUJZ-CTNGQTDRSA-N 2 0 341.499 2.590 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCCN(C[C@H]([NH3+])Cc1ccccc1)CC2 ZINC001235577248 1313354234 /nfs/dbraw/zinc/35/42/34/1313354234.db2.gz YXLRVGDZHATUJZ-TZIWHRDSSA-N 2 0 341.499 2.590 20 30 EFEDRP C=CC[NH2+]CCN1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001235591886 1313356086 /nfs/dbraw/zinc/35/60/86/1313356086.db2.gz MVVYYKZKQKBQHD-UHFFFAOYSA-N 2 0 343.515 2.759 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631513 1313363017 /nfs/dbraw/zinc/36/30/17/1313363017.db2.gz ADFNCUCQJYTCLY-ROUUACIJSA-N 2 0 332.492 2.969 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202163172 1297267184 /nfs/dbraw/zinc/26/71/84/1297267184.db2.gz CPGMCWHFLRGKEV-SFHVURJKSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835542 1313365484 /nfs/dbraw/zinc/36/54/84/1313365484.db2.gz JSHWHSSQRRRVKG-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111020519 1297380900 /nfs/dbraw/zinc/38/09/00/1297380900.db2.gz DSPPGYRFXZUOGD-MKXGPGLRSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206022909 1313392572 /nfs/dbraw/zinc/39/25/72/1313392572.db2.gz LMRHYQKBHWDRCH-LJQANCHMSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031108 1313394281 /nfs/dbraw/zinc/39/42/81/1313394281.db2.gz NKHKTYDMJFHEAS-AOIWGVFYSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017555816 1313412347 /nfs/dbraw/zinc/41/23/47/1313412347.db2.gz VSTPKVQACFFCRR-HDICACEKSA-N 2 0 333.520 2.892 20 30 EFEDRP CC1(C)[NH2+][C@@H](CCN2CCC[C@@H](Oc3cccc(C#N)c3)C2)CO1 ZINC001235967739 1313424304 /nfs/dbraw/zinc/42/43/04/1313424304.db2.gz AEGSPXPRNSATIH-FUHWJXTLSA-N 2 0 329.444 2.516 20 30 EFEDRP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206282195 1313431705 /nfs/dbraw/zinc/43/17/05/1313431705.db2.gz RRUXWXWZDVWDDO-MJGOQNOKSA-N 2 0 337.552 2.983 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206282562 1313431726 /nfs/dbraw/zinc/43/17/26/1313431726.db2.gz VJCCYPBRQYGCCL-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CC[NH2+]CCN(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC001236144751 1313446982 /nfs/dbraw/zinc/44/69/82/1313446982.db2.gz AKXXXXOSOBQGKF-IBGZPJMESA-N 2 0 331.504 2.757 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775817 1298062678 /nfs/dbraw/zinc/06/26/78/1298062678.db2.gz RSLULVGKJARWQI-CVEARBPZSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659699 1313460293 /nfs/dbraw/zinc/46/02/93/1313460293.db2.gz ZLTVHUXOQXNFNM-OKYOBFRVSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481309 1313461719 /nfs/dbraw/zinc/46/17/19/1313461719.db2.gz FORZZVHGRPHYDT-QGZVFWFLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481306 1313461748 /nfs/dbraw/zinc/46/17/48/1313461748.db2.gz FORZZVHGRPHYDT-KRWDZBQOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914906 1313478264 /nfs/dbraw/zinc/47/82/64/1313478264.db2.gz SCIDXUPNNZZGEL-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915366 1313479619 /nfs/dbraw/zinc/47/96/19/1313479619.db2.gz UJROZUWIKQUIMC-IPMKNSEASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915367 1313479687 /nfs/dbraw/zinc/47/96/87/1313479687.db2.gz UJROZUWIKQUIMC-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049917906 1313483295 /nfs/dbraw/zinc/48/32/95/1313483295.db2.gz JDHLQOZYGFPDRS-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182321 1298263759 /nfs/dbraw/zinc/26/37/59/1298263759.db2.gz LDQVSGVTQAMCTG-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188628 1298274370 /nfs/dbraw/zinc/27/43/70/1298274370.db2.gz VVZRZVCWLZZMND-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926415 1313495932 /nfs/dbraw/zinc/49/59/32/1313495932.db2.gz OVXDKVVVIMPRJF-ROUUACIJSA-N 2 0 345.487 2.986 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231290 1298375754 /nfs/dbraw/zinc/37/57/54/1298375754.db2.gz QHJWHVKANYZLPV-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234793 1298383916 /nfs/dbraw/zinc/38/39/16/1298383916.db2.gz XOYUEUVMZXMZNG-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206754018 1313502217 /nfs/dbraw/zinc/50/22/17/1313502217.db2.gz FIJCCHUSGPQCEA-UHFFFAOYSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242727 1298403632 /nfs/dbraw/zinc/40/36/32/1298403632.db2.gz VQZOAYKOVPKVPQ-IAGOWNOFSA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243938 1298405856 /nfs/dbraw/zinc/40/58/56/1298405856.db2.gz AKQOBIRJAKMZDT-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254798 1298428366 /nfs/dbraw/zinc/42/83/66/1298428366.db2.gz TYGVTONIIIKQAN-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289388 1298500440 /nfs/dbraw/zinc/50/04/40/1298500440.db2.gz YRFUFMZEHJYDGF-RTBURBONSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961349474 1298594493 /nfs/dbraw/zinc/59/44/93/1298594493.db2.gz SQCFHAFQFNFIMZ-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961365360 1298620616 /nfs/dbraw/zinc/62/06/16/1298620616.db2.gz GPYWRVDDNZQYMC-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961365485 1298621036 /nfs/dbraw/zinc/62/10/36/1298621036.db2.gz DTNNGDBWZSJPDJ-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961365350 1298621743 /nfs/dbraw/zinc/62/17/43/1298621743.db2.gz GPYWRVDDNZQYMC-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206876059 1313533690 /nfs/dbraw/zinc/53/36/90/1313533690.db2.gz MIZJWEYOGPYKLI-INIZCTEOSA-N 2 0 344.503 2.944 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(CC)cc2O)CC1 ZINC001236789259 1313529510 /nfs/dbraw/zinc/52/95/10/1313529510.db2.gz UPNFRODMAJNNBS-UHFFFAOYSA-N 2 0 343.515 2.746 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961370839 1298632280 /nfs/dbraw/zinc/63/22/80/1298632280.db2.gz DYZMMGMUDIOYHT-MISYRCLQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961372215 1298634451 /nfs/dbraw/zinc/63/44/51/1298634451.db2.gz JWJGUVREMGITMM-YZGWKJHDSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372292 1298634867 /nfs/dbraw/zinc/63/48/67/1298634867.db2.gz AVKAZQMIWOTQNL-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376761 1298647294 /nfs/dbraw/zinc/64/72/94/1298647294.db2.gz CPHUTOHHBVVGGB-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961377577 1298649545 /nfs/dbraw/zinc/64/95/45/1298649545.db2.gz XNZMUJYKAXSIGW-UXHICEINSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206876060 1313533935 /nfs/dbraw/zinc/53/39/35/1313533935.db2.gz MIZJWEYOGPYKLI-MRXNPFEDSA-N 2 0 344.503 2.944 20 30 EFEDRP C[NH+](C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000083031483 1298681121 /nfs/dbraw/zinc/68/11/21/1298681121.db2.gz RUNICASWTCKRQJ-ZWKOTPCHSA-N 2 0 344.503 2.925 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961403027 1298696298 /nfs/dbraw/zinc/69/62/98/1298696298.db2.gz TYTGQJPOZPDDMT-WOJBJXKFSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411934 1298707125 /nfs/dbraw/zinc/70/71/25/1298707125.db2.gz QTHPXBMVCCQEJR-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417840 1298720716 /nfs/dbraw/zinc/72/07/16/1298720716.db2.gz TYLGXAAGZFLOCC-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000961417841 1298720879 /nfs/dbraw/zinc/72/08/79/1298720879.db2.gz TYLGXAAGZFLOCC-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH2+]CCN1CCN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001237014033 1313571457 /nfs/dbraw/zinc/57/14/57/1313571457.db2.gz BPARTJYXZODFOW-INIZCTEOSA-N 2 0 327.394 2.511 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1N1CCCCC1 ZINC000305810534 1299037189 /nfs/dbraw/zinc/03/71/89/1299037189.db2.gz LXYHFNVFGZJXRY-SFHVURJKSA-N 2 0 343.519 2.566 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC2(C[NH+](C)C)CCCC2)cc1OC ZINC000305811118 1299038542 /nfs/dbraw/zinc/03/85/42/1299038542.db2.gz JHGAXVAKURQUAS-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC3(C[NH2+]C3)[C@H](C(=O)OCC)C2)CC1 ZINC001237413220 1313640810 /nfs/dbraw/zinc/64/08/10/1313640810.db2.gz VSDRLJUUHFGWHS-MSOLQXFVSA-N 2 0 332.488 2.764 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018026664 1313647729 /nfs/dbraw/zinc/64/77/29/1313647729.db2.gz NGVAPQSIEXVCGM-GBESFXJTSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207276466 1313649536 /nfs/dbraw/zinc/64/95/36/1313649536.db2.gz XEVGKKGTCUDMRP-LJQANCHMSA-N 2 0 337.508 2.685 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052149 1313660452 /nfs/dbraw/zinc/66/04/52/1313660452.db2.gz MABNWGAIPLNTPH-OKYOBFRVSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415374 1300121254 /nfs/dbraw/zinc/12/12/54/1300121254.db2.gz SBEQIPMMVYPTJJ-ZACQAIPSSA-N 2 0 339.911 2.727 20 30 EFEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110673885 1300326145 /nfs/dbraw/zinc/32/61/45/1300326145.db2.gz XTMVGLVODSGNQI-QRVBRYPASA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001114502011 1300330570 /nfs/dbraw/zinc/33/05/70/1300330570.db2.gz MCPJYXCISVBPAZ-ZGXWSNOMSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CCC1CC[NH+](C)CC1)CCO2 ZINC001207482914 1313697772 /nfs/dbraw/zinc/69/77/72/1313697772.db2.gz HWRCNXNHVNXRAV-VQTJNVASSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482535 1313697847 /nfs/dbraw/zinc/69/78/47/1313697847.db2.gz NCSNIOUULBATJY-WOJBJXKFSA-N 2 0 336.520 2.792 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307038 1300557968 /nfs/dbraw/zinc/55/79/68/1300557968.db2.gz VWIWNHVFTFSXQZ-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344972 1300649600 /nfs/dbraw/zinc/64/96/00/1300649600.db2.gz BRWNZXAHMGRQSN-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358978 1300682048 /nfs/dbraw/zinc/68/20/48/1300682048.db2.gz ZOFMYQXQMADGCQ-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360164 1300683974 /nfs/dbraw/zinc/68/39/74/1300683974.db2.gz KYKSOURSPDEPOH-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541209 1313712029 /nfs/dbraw/zinc/71/20/29/1313712029.db2.gz YVOTVKSLFSMLCD-BHIYHBOVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367370 1300704366 /nfs/dbraw/zinc/70/43/66/1300704366.db2.gz OOKLOAVBTLYJQH-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000963371000 1300711172 /nfs/dbraw/zinc/71/11/72/1300711172.db2.gz JPVODRHTNJQTTO-UHFFFAOYSA-N 2 0 335.517 2.969 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384995 1300742588 /nfs/dbraw/zinc/74/25/88/1300742588.db2.gz YZGZTIBBPISADT-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018154534 1313716343 /nfs/dbraw/zinc/71/63/43/1313716343.db2.gz LASSLBMBAIVADZ-BGYRXZFFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413255 1300795747 /nfs/dbraw/zinc/79/57/47/1300795747.db2.gz CXVOHAUYKXUQLD-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417610 1300808614 /nfs/dbraw/zinc/80/86/14/1300808614.db2.gz ORONCXKXYMVXPL-IRXDYDNUSA-N 2 0 339.911 2.538 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432064 1300844687 /nfs/dbraw/zinc/84/46/87/1300844687.db2.gz ZTDHGVBVSAHIDI-WOJBJXKFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176916 1313728229 /nfs/dbraw/zinc/72/82/29/1313728229.db2.gz SMUGCUGJXSVPIH-CADBVGFASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000963729188 1301259440 /nfs/dbraw/zinc/25/94/40/1301259440.db2.gz YIODUXXYVRVTSD-CTWPCTMYSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000963948040 1301506341 /nfs/dbraw/zinc/50/63/41/1301506341.db2.gz YHRRWIHDMXCOKO-HNSLBZJHSA-N 2 0 345.531 2.987 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988123 1313818498 /nfs/dbraw/zinc/81/84/98/1313818498.db2.gz FPWLSKSRUYQFAC-IIDMSEBBSA-N 2 0 326.444 2.739 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063015 1313838660 /nfs/dbraw/zinc/83/86/60/1313838660.db2.gz JEACYJNHQVSIBQ-MOPGFXCFSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079456 1313841335 /nfs/dbraw/zinc/84/13/35/1313841335.db2.gz KCKQEGVXIWTYFQ-NBYUQASBSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114810 1313850949 /nfs/dbraw/zinc/85/09/49/1313850949.db2.gz VIFJYKLFYNFDIV-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202511635 1302746298 /nfs/dbraw/zinc/74/62/98/1302746298.db2.gz SXDSWJMZIWALBK-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000965345590 1303143883 /nfs/dbraw/zinc/14/38/83/1303143883.db2.gz APNUDAWBAWKUPF-WZXTXQKWSA-N 2 0 333.520 2.842 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208331039 1313901039 /nfs/dbraw/zinc/90/10/39/1313901039.db2.gz JSCPRKPGTUEFIY-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP CCCCCCCCOC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239318086 1313924785 /nfs/dbraw/zinc/92/47/85/1313924785.db2.gz KXHXQGGAIVPYAY-MRXNPFEDSA-N 2 0 325.497 2.947 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001037849175 1303616198 /nfs/dbraw/zinc/61/61/98/1303616198.db2.gz KFMYKTFQEFJEMT-HOCLYGCPSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491995 1313943136 /nfs/dbraw/zinc/94/31/36/1313943136.db2.gz QRNJLPMDTSRBMJ-SFHVURJKSA-N 2 0 333.520 2.942 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367387 1314485244 /nfs/dbraw/zinc/48/52/44/1314485244.db2.gz SAMHJZRCHXZDOF-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001037870312 1303905917 /nfs/dbraw/zinc/90/59/17/1303905917.db2.gz REBQWALARNFECC-QAPCUYQASA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563872 1313962186 /nfs/dbraw/zinc/96/21/86/1313962186.db2.gz GKTFOKNNFJWGDI-RDJZCZTQSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596097 1313972218 /nfs/dbraw/zinc/97/22/18/1313972218.db2.gz BKPZYUTXBLULKJ-PMACEKPBSA-N 2 0 336.520 2.792 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208614494 1313981173 /nfs/dbraw/zinc/98/11/73/1313981173.db2.gz DPHAHIHOGHMWCQ-QGZVFWFLSA-N 2 0 343.471 2.752 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001037907345 1304608307 /nfs/dbraw/zinc/60/83/07/1304608307.db2.gz TXRJZFQWLMGCGL-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP CC[NH+](CC)CCCN1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208861964 1314031937 /nfs/dbraw/zinc/03/19/37/1314031937.db2.gz CYNBVFUWELQJSD-UHFFFAOYSA-N 2 0 342.531 2.840 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001037946908 1305149842 /nfs/dbraw/zinc/14/98/42/1305149842.db2.gz JPVMPEYJWZIDIR-QUCCMNQESA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097406390 1314038358 /nfs/dbraw/zinc/03/83/58/1314038358.db2.gz YFTSNQHTFAQOOJ-YRXWBPOGSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001037977903 1305523590 /nfs/dbraw/zinc/52/35/90/1305523590.db2.gz VLPYLZFXPLSAEF-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=CCCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001209161088 1314103297 /nfs/dbraw/zinc/10/32/97/1314103297.db2.gz GONGQVXKLWNXIO-UHFFFAOYSA-N 2 0 329.488 2.962 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496927 1306400272 /nfs/dbraw/zinc/40/02/72/1306400272.db2.gz FJODTGNLDYDFOU-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681092 1306563073 /nfs/dbraw/zinc/56/30/73/1306563073.db2.gz GQERGRDZTSLJJV-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681098 1306563332 /nfs/dbraw/zinc/56/33/32/1306563332.db2.gz GRTNYVYBJUKNDI-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690710 1306571474 /nfs/dbraw/zinc/57/14/74/1306571474.db2.gz ARVXCNHMFCRRMU-AEFFLSMTSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001044655637 1306694758 /nfs/dbraw/zinc/69/47/58/1306694758.db2.gz CINCUDBZQITNKG-HIFRSBDPSA-N 2 0 346.862 2.978 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856094 1306726172 /nfs/dbraw/zinc/72/61/72/1306726172.db2.gz DSHFBBNKHKNHMA-OALUTQOASA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859850 1306731560 /nfs/dbraw/zinc/73/15/60/1306731560.db2.gz SAYYTTDERZYHIE-KRWDZBQOSA-N 2 0 326.444 2.803 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000968876932 1306747753 /nfs/dbraw/zinc/74/77/53/1306747753.db2.gz KSQKBWPQZLRBPO-KRWDZBQOSA-N 2 0 347.528 2.807 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887381 1306761169 /nfs/dbraw/zinc/76/11/69/1306761169.db2.gz CBHMJSWLDVDBEP-UXHICEINSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044741939 1306764897 /nfs/dbraw/zinc/76/48/97/1306764897.db2.gz DVRYZPSZSBAWEC-LPHOPBHVSA-N 2 0 329.488 2.559 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926049 1306804506 /nfs/dbraw/zinc/80/45/06/1306804506.db2.gz SYDJQMLWKKUQSW-KRWDZBQOSA-N 2 0 338.455 2.640 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001044798537 1306810288 /nfs/dbraw/zinc/81/02/88/1306810288.db2.gz CGKCVSBHGASYJO-DOTOQJQBSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934530 1306813993 /nfs/dbraw/zinc/81/39/93/1306813993.db2.gz ZOYCZQIRMWLSKE-GOSISDBHSA-N 2 0 333.520 2.942 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965125 1306842582 /nfs/dbraw/zinc/84/25/82/1306842582.db2.gz GSLGWXJIUBGJHR-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001044861224 1306871785 /nfs/dbraw/zinc/87/17/85/1306871785.db2.gz AQOXICJKFIVCDZ-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025297 1306903881 /nfs/dbraw/zinc/90/38/81/1306903881.db2.gz MZTYFJNZLUIWOU-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072514 1306946089 /nfs/dbraw/zinc/94/60/89/1306946089.db2.gz KLEFVDFBMBLPFR-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072515 1306946580 /nfs/dbraw/zinc/94/65/80/1306946580.db2.gz KLEFVDFBMBLPFR-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC000969108702 1306984151 /nfs/dbraw/zinc/98/41/51/1306984151.db2.gz JUYOSTKWOPYQSP-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109042 1306985164 /nfs/dbraw/zinc/98/51/64/1306985164.db2.gz SSSSCONUCCFDMK-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441639 1307341842 /nfs/dbraw/zinc/34/18/42/1307341842.db2.gz IHTPMNCODTXQBZ-SFHVURJKSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585205 1307448119 /nfs/dbraw/zinc/44/81/19/1307448119.db2.gz OXCMHVKBSSRNPV-ZWKOTPCHSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045647238 1307499074 /nfs/dbraw/zinc/49/90/74/1307499074.db2.gz XRPJMBAGXVRWQN-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001045650891 1307502550 /nfs/dbraw/zinc/50/25/50/1307502550.db2.gz RWXVCODYFSJAHI-UHFFFAOYSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097695068 1314199238 /nfs/dbraw/zinc/19/92/38/1314199238.db2.gz QFYHABJYBQYZAN-MKXGPGLRSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938275 1307940608 /nfs/dbraw/zinc/94/06/08/1307940608.db2.gz WKENKYWGPDVBHW-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939051 1307941250 /nfs/dbraw/zinc/94/12/50/1307941250.db2.gz TVJNQTWONDOMPF-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273790 1307951506 /nfs/dbraw/zinc/95/15/06/1307951506.db2.gz AJOKHYFCYJHKHE-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942715 1307955463 /nfs/dbraw/zinc/95/54/63/1307955463.db2.gz XVGFEMLRTYCYRA-CTNGQTDRSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943456 1307958254 /nfs/dbraw/zinc/95/82/54/1307958254.db2.gz IQOUDKCNADILSB-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945511 1307964009 /nfs/dbraw/zinc/96/40/09/1307964009.db2.gz UMFABIQPQPQDFC-ICSRJNTNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045948729 1307974163 /nfs/dbraw/zinc/97/41/63/1307974163.db2.gz QLVVLBXJQYSASA-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045965358 1308018351 /nfs/dbraw/zinc/01/83/51/1308018351.db2.gz GMAGPLFNLZCSDJ-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045966976 1308024289 /nfs/dbraw/zinc/02/42/89/1308024289.db2.gz KMBFMIMUHVCAEH-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979659 1308062711 /nfs/dbraw/zinc/06/27/11/1308062711.db2.gz JEUVTPZMVMNYKQ-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979657 1308063022 /nfs/dbraw/zinc/06/30/22/1308063022.db2.gz JEUVTPZMVMNYKQ-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980235 1308066143 /nfs/dbraw/zinc/06/61/43/1308066143.db2.gz UZIGFXMMGRVHHY-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447290 1314230884 /nfs/dbraw/zinc/23/08/84/1314230884.db2.gz ZVYMSBKHCQDPGC-SJORKVTESA-N 2 0 341.927 2.973 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179032 1314292632 /nfs/dbraw/zinc/29/26/32/1314292632.db2.gz GHICJUQXMCJBDM-MBOZVWFJSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703210 1314311483 /nfs/dbraw/zinc/31/14/83/1314311483.db2.gz RGVXPKIVMJUJFF-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046951141 1309748561 /nfs/dbraw/zinc/74/85/61/1309748561.db2.gz OWSBIDAAICYKHM-AWEZNQCLSA-N 2 0 348.397 2.516 20 30 EFEDRP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958488 1309771888 /nfs/dbraw/zinc/77/18/88/1309771888.db2.gz YYUCYQQYAYMCTD-HNNXBMFYSA-N 2 0 348.397 2.597 20 30 EFEDRP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046958489 1309772072 /nfs/dbraw/zinc/77/20/72/1309772072.db2.gz YYUCYQQYAYMCTD-OAHLLOKOSA-N 2 0 348.397 2.597 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001210636199 1314365110 /nfs/dbraw/zinc/36/51/10/1314365110.db2.gz NDKGNUDRYZMGMX-GGPKGHCWSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210646266 1314365957 /nfs/dbraw/zinc/36/59/57/1314365957.db2.gz WJJYQOMYYBZJNJ-OALUTQOASA-N 2 0 329.488 2.836 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225409 1310352605 /nfs/dbraw/zinc/35/26/05/1310352605.db2.gz DIQLOBUXPQPSFV-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231019 1310365803 /nfs/dbraw/zinc/36/58/03/1310365803.db2.gz JJSRKMDHTPQTQQ-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047241412 1310392653 /nfs/dbraw/zinc/39/26/53/1310392653.db2.gz CCTNWMOCJZXRFT-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047242878 1310396784 /nfs/dbraw/zinc/39/67/84/1310396784.db2.gz GYXDGZNUBSDDDZ-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047243605 1310397575 /nfs/dbraw/zinc/39/75/75/1310397575.db2.gz LTEGUZWEPBIOOC-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047243298 1310398198 /nfs/dbraw/zinc/39/81/98/1310398198.db2.gz JXLSHYCXLZGQEW-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047254431 1310425615 /nfs/dbraw/zinc/42/56/15/1310425615.db2.gz PKTAEDHOEQDXER-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001047258173 1310435559 /nfs/dbraw/zinc/43/55/59/1310435559.db2.gz WEMTWHPSLMKCOZ-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258281 1310435797 /nfs/dbraw/zinc/43/57/97/1310435797.db2.gz YXUMZCRMOHIEBG-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266213 1310460820 /nfs/dbraw/zinc/46/08/20/1310460820.db2.gz TUCWCMIHYDVHSR-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266042 1310460953 /nfs/dbraw/zinc/46/09/53/1310460953.db2.gz OQHGJXGPPTYTTQ-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047266335 1310462425 /nfs/dbraw/zinc/46/24/25/1310462425.db2.gz WIVHAGQTPDIVLG-HXUWFJFHSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688802 1311013136 /nfs/dbraw/zinc/01/31/36/1311013136.db2.gz PUAJGWCCCWXABV-FRQCXROJSA-N 2 0 338.455 2.835 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787011 1311031891 /nfs/dbraw/zinc/03/18/91/1311031891.db2.gz HAFIMURPGICPDT-RTBURBONSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962763 1311061524 /nfs/dbraw/zinc/06/15/24/1311061524.db2.gz UVCCZMIXAFBIFG-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083755 1311081537 /nfs/dbraw/zinc/08/15/37/1311081537.db2.gz LHWOXOBDKRYULM-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCO[C@@H](C)C#N)CC1 ZINC000801938046 1311129278 /nfs/dbraw/zinc/12/92/78/1311129278.db2.gz YDTWWCIICBGQAZ-HOTGVXAUSA-N 2 0 348.466 2.547 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222788903 1311184455 /nfs/dbraw/zinc/18/44/55/1311184455.db2.gz DPANYSQSPNTQPS-KURKYZTESA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101231317 1311228017 /nfs/dbraw/zinc/22/80/17/1311228017.db2.gz XTDJPVIKONBCOZ-HBFSDRIKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461853 1311244028 /nfs/dbraw/zinc/24/40/28/1311244028.db2.gz WMWGEXWVTSCDLA-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001101590402 1311252199 /nfs/dbraw/zinc/25/21/99/1311252199.db2.gz OSFBKNVXTFDDOZ-UHFFFAOYSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001276885420 1311252802 /nfs/dbraw/zinc/25/28/02/1311252802.db2.gz KVXVPIRKCXTVQB-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001276888282 1311256029 /nfs/dbraw/zinc/25/60/29/1311256029.db2.gz VZCLJQMKAOQENF-IZZQQSIFSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001223450342 1311262527 /nfs/dbraw/zinc/26/25/27/1311262527.db2.gz VVVCFLYPSRPFOM-IBGZPJMESA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001223464722 1311263474 /nfs/dbraw/zinc/26/34/74/1311263474.db2.gz ASDLPXGRJJSCKA-WMZOPIPTSA-N 2 0 344.503 2.943 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521973 1311271768 /nfs/dbraw/zinc/27/17/68/1311271768.db2.gz JYFIEICFPNDQJY-MSOLQXFVSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001223661195 1311288063 /nfs/dbraw/zinc/28/80/63/1311288063.db2.gz MOCNYKFJSBTGPD-QGZVFWFLSA-N 2 0 344.503 2.617 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223698228 1311293688 /nfs/dbraw/zinc/29/36/88/1311293688.db2.gz ZOMXQVVJJJUVMB-QYZOEREBSA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737839 1311297763 /nfs/dbraw/zinc/29/77/63/1311297763.db2.gz XWTSPDDGIXIHTE-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227078 1311362402 /nfs/dbraw/zinc/36/24/02/1311362402.db2.gz FIKGEOQQLHUBIR-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723892 1311373761 /nfs/dbraw/zinc/37/37/61/1311373761.db2.gz OVNAXBMNXPGRMZ-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158723735 1311373906 /nfs/dbraw/zinc/37/39/06/1311373906.db2.gz HCBWENXBWYPYKJ-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)CN1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224576114 1311409907 /nfs/dbraw/zinc/40/99/07/1311409907.db2.gz JCRJGQSPBLJGRM-UHFFFAOYSA-N 2 0 329.916 2.545 20 30 EFEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949328 1311422722 /nfs/dbraw/zinc/42/27/22/1311422722.db2.gz KLRATUQLUYCLGF-LJQANCHMSA-N 2 0 333.520 2.589 20 30 EFEDRP N#Cc1cc(Nc2cccnc2OC2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001159242991 1311479477 /nfs/dbraw/zinc/47/94/77/1311479477.db2.gz ZUPZUURYDOERMV-UHFFFAOYSA-N 2 0 349.438 2.514 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143106 1311482155 /nfs/dbraw/zinc/48/21/55/1311482155.db2.gz TWZTYIQWCHDFEM-NRFANRHFSA-N 2 0 343.515 2.868 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578576 1311546884 /nfs/dbraw/zinc/54/68/84/1311546884.db2.gz XZIJLQBWWVTHEB-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578558 1311547121 /nfs/dbraw/zinc/54/71/21/1311547121.db2.gz XHBTZHJFBHSUQZ-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159628764 1311555424 /nfs/dbraw/zinc/55/54/24/1311555424.db2.gz PMHKMBRUEBXVCB-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120020 1311647871 /nfs/dbraw/zinc/64/78/71/1311647871.db2.gz KBVDXUFVEBFEKJ-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131321 1311650559 /nfs/dbraw/zinc/65/05/59/1311650559.db2.gz LKRGGRWZUFFKKY-OALUTQOASA-N 2 0 331.504 2.575 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155454 1311656619 /nfs/dbraw/zinc/65/66/19/1311656619.db2.gz GIFBQJHQFJJWHR-YLJYHZDGSA-N 2 0 345.531 2.821 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226554985 1311687463 /nfs/dbraw/zinc/68/74/63/1311687463.db2.gz VTBDUHCMQCGNSJ-GVDBMIGSSA-N 2 0 327.488 2.650 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360345 1311696872 /nfs/dbraw/zinc/69/68/72/1311696872.db2.gz PKBZFIIOAVKHJW-FQEVSTJZSA-N 2 0 343.515 2.555 20 30 EFEDRP C=CCCCCCC[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277153897 1311720093 /nfs/dbraw/zinc/72/00/93/1311720093.db2.gz ZEMGKWZYNBJATA-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491846 1311721403 /nfs/dbraw/zinc/72/14/03/1311721403.db2.gz JPWVNNDOEOCMOK-UHFFFAOYSA-N 2 0 331.504 2.577 20 30 EFEDRP C=CCCCCCC[NH2+]C12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2 ZINC001277153191 1311726693 /nfs/dbraw/zinc/72/66/93/1311726693.db2.gz QVMHRAXJFJEYRP-UHFFFAOYSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226878330 1311736263 /nfs/dbraw/zinc/73/62/63/1311736263.db2.gz PUZBDCVIVBVDGX-BZUAXINKSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160559591 1311736603 /nfs/dbraw/zinc/73/66/03/1311736603.db2.gz LILXAXUYVFKRRB-UHFFFAOYSA-N 2 0 338.455 2.971 20 30 EFEDRP C=CC(C=C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227160139 1311770056 /nfs/dbraw/zinc/77/00/56/1311770056.db2.gz DBDIRTOWQZGITJ-UHFFFAOYSA-N 3 0 331.504 2.991 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001227218712 1311778229 /nfs/dbraw/zinc/77/82/29/1311778229.db2.gz YWCUTJBZUYRMOB-QZTJIDSGSA-N 2 0 333.520 2.680 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001227275321 1311786658 /nfs/dbraw/zinc/78/66/58/1311786658.db2.gz CFJLZAXWUPLHNU-KZNAEPCWSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001227303112 1311791151 /nfs/dbraw/zinc/79/11/51/1311791151.db2.gz VBXRPZKXTOZJHN-QZTJIDSGSA-N 2 0 326.444 2.931 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227619556 1311831325 /nfs/dbraw/zinc/83/13/25/1311831325.db2.gz RLSVOQSNOSYJBQ-GOSISDBHSA-N 2 0 341.515 2.993 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227618715 1311831650 /nfs/dbraw/zinc/83/16/50/1311831650.db2.gz IJQXRBNBHCWRRQ-NVXWUHKLSA-N 2 0 327.488 2.602 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277226211 1311832926 /nfs/dbraw/zinc/83/29/26/1311832926.db2.gz RZUXWBUMUAHQCH-YLJYHZDGSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001227704408 1311842386 /nfs/dbraw/zinc/84/23/86/1311842386.db2.gz YLAMVSWLYVEXMU-WOJBJXKFSA-N 2 0 343.515 2.997 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227729451 1311846868 /nfs/dbraw/zinc/84/68/68/1311846868.db2.gz YVUXQAJCIHIGAF-RTBURBONSA-N 2 0 333.520 2.681 20 30 EFEDRP CCc1cc(C#N)ccc1C[NH+]1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001277238194 1311852498 /nfs/dbraw/zinc/85/24/98/1311852498.db2.gz DDKIDOYIGRIXGU-UHFFFAOYSA-N 2 0 340.515 2.580 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001227792748 1311856171 /nfs/dbraw/zinc/85/61/71/1311856171.db2.gz UOGRTJRXABJTCI-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525173 1311861194 /nfs/dbraw/zinc/86/11/94/1311861194.db2.gz NYNGTUIXYXCSMN-OMZCGLGVSA-N 2 0 345.531 2.796 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCCC)CC1 ZINC001227849208 1311865098 /nfs/dbraw/zinc/86/50/98/1311865098.db2.gz KNSTWQRJYMULDH-IBGZPJMESA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001048531590 1311869456 /nfs/dbraw/zinc/86/94/56/1311869456.db2.gz UCPBSPSHDZGHGA-FCGDIQPGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533655 1311873135 /nfs/dbraw/zinc/87/31/35/1311873135.db2.gz ISFWYMABEDHLNK-GSEOLPGOSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001048533656 1311873191 /nfs/dbraw/zinc/87/31/91/1311873191.db2.gz ISFWYMABEDHLNK-RNQOJCNYSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537454 1311877394 /nfs/dbraw/zinc/87/73/94/1311877394.db2.gz BJVOIFOKUCTUNX-OUUBHVDSSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538501 1311878942 /nfs/dbraw/zinc/87/89/42/1311878942.db2.gz XMRSBNZUDPZRSX-KNJMJIDISA-N 2 0 345.531 2.939 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472083 1311896242 /nfs/dbraw/zinc/89/62/42/1311896242.db2.gz JUOGYAWUWBUZKD-UHFFFAOYSA-N 2 0 339.483 2.524 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491732 1311899980 /nfs/dbraw/zinc/89/99/80/1311899980.db2.gz MJHVLFAAIRVLHD-IBGZPJMESA-N 2 0 333.520 2.515 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553546 1311914169 /nfs/dbraw/zinc/91/41/69/1311914169.db2.gz FCKKOZYXVJINFC-UHFFFAOYSA-N 2 0 333.520 2.823 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570474 1311917312 /nfs/dbraw/zinc/91/73/12/1311917312.db2.gz PMQGFDAOGYDMHO-OBKDMQGPSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570475 1311917673 /nfs/dbraw/zinc/91/76/73/1311917673.db2.gz PMQGFDAOGYDMHO-OUUBHVDSSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570658 1311918484 /nfs/dbraw/zinc/91/84/84/1311918484.db2.gz UEPBTELESDDCLA-UJWQCDCRSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578390 1311927575 /nfs/dbraw/zinc/92/75/75/1311927575.db2.gz PEXMVNRUZBQEHW-GGPHIMKMSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228414978 1311943691 /nfs/dbraw/zinc/94/36/91/1311943691.db2.gz DMSVBSYJJITGOT-LPHOPBHVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228414979 1311943882 /nfs/dbraw/zinc/94/38/82/1311943882.db2.gz DMSVBSYJJITGOT-QFBILLFUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698715 1311953463 /nfs/dbraw/zinc/95/34/63/1311953463.db2.gz AQRCPJPWXGKLJC-PKOBYXMFSA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623743 1311971738 /nfs/dbraw/zinc/97/17/38/1311971738.db2.gz JMJYDQGTNDFVLL-HUUCEWRRSA-N 2 0 329.916 2.734 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC001161947098 1312010793 /nfs/dbraw/zinc/01/07/93/1312010793.db2.gz XVLGFKVDOPDFEY-SFHVURJKSA-N 2 0 345.531 2.516 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161947022 1312011346 /nfs/dbraw/zinc/01/13/46/1312011346.db2.gz SCZHDTLNRYKRKU-UHFFFAOYSA-N 2 0 339.483 2.524 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994241 1312024416 /nfs/dbraw/zinc/02/44/16/1312024416.db2.gz WGVCOXQNSJPHNM-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001229193278 1312060124 /nfs/dbraw/zinc/06/01/24/1312060124.db2.gz IOUINXGIYSPTBA-LJQANCHMSA-N 2 0 339.499 2.746 20 30 EFEDRP N#Cc1ccc(-c2ccc(F)cc2)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162289094 1312081210 /nfs/dbraw/zinc/08/12/10/1312081210.db2.gz GLCNQTJKIXXWNB-UHFFFAOYSA-N 2 0 341.434 2.890 20 30 EFEDRP N#Cc1ccc(-c2cccs2)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162294399 1312083010 /nfs/dbraw/zinc/08/30/10/1312083010.db2.gz IIGYREZMBDOOBU-UHFFFAOYSA-N 2 0 329.473 2.812 20 30 EFEDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902790829 1312110384 /nfs/dbraw/zinc/11/03/84/1312110384.db2.gz RKDJHOTZBDYSDP-PXNSSMCTSA-N 2 0 328.504 2.873 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001229615409 1312120087 /nfs/dbraw/zinc/12/00/87/1312120087.db2.gz JKIHGBUPDAJTGH-QRVBRYPASA-N 2 0 333.520 2.681 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820615 1312165539 /nfs/dbraw/zinc/16/55/39/1312165539.db2.gz MEOPSKZKVIEOLL-QRVBRYPASA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821209 1312165790 /nfs/dbraw/zinc/16/57/90/1312165790.db2.gz VQFWVTZCZHXFMC-QRVBRYPASA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001162832424 1312186758 /nfs/dbraw/zinc/18/67/58/1312186758.db2.gz SJXQXDYJNJAZDB-FQEVSTJZSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001162856476 1312191319 /nfs/dbraw/zinc/19/13/19/1312191319.db2.gz IOABDCNEASYLBD-UHFFFAOYSA-N 2 0 348.450 2.795 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162911355 1312202267 /nfs/dbraw/zinc/20/22/67/1312202267.db2.gz KYCFTYPQTCSVSY-LJQANCHMSA-N 2 0 345.531 2.954 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679450 1312202933 /nfs/dbraw/zinc/20/29/33/1312202933.db2.gz FRBLAGIKIHKHLW-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862123 1312204584 /nfs/dbraw/zinc/20/45/84/1312204584.db2.gz QJKODVUFMNDOPD-NSHGMRRFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001162929259 1312206157 /nfs/dbraw/zinc/20/61/57/1312206157.db2.gz UUQCNPCVAUDHPF-IBGZPJMESA-N 2 0 343.515 2.708 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001230251973 1312210876 /nfs/dbraw/zinc/21/08/76/1312210876.db2.gz TXDVAUMPKKAZGK-RTBURBONSA-N 2 0 347.547 2.785 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001230266476 1312212588 /nfs/dbraw/zinc/21/25/88/1312212588.db2.gz JTYIPWMEQBDZIE-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001162997089 1312221606 /nfs/dbraw/zinc/22/16/06/1312221606.db2.gz KCFBIBKLVFAIPJ-UHFFFAOYSA-N 2 0 343.515 2.709 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006240 1312224617 /nfs/dbraw/zinc/22/46/17/1312224617.db2.gz ARFCZXWYCTXGNA-UHFFFAOYSA-N 2 0 331.504 2.564 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001163111860 1312243811 /nfs/dbraw/zinc/24/38/11/1312243811.db2.gz XOJCYXHVAZSNTI-RSPOEFSDSA-N 2 0 327.472 2.656 20 30 EFEDRP N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230516180 1312251583 /nfs/dbraw/zinc/25/15/83/1312251583.db2.gz OYLFJACWEXJIHU-MRXNPFEDSA-N 2 0 333.395 2.670 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591775 1312276091 /nfs/dbraw/zinc/27/60/91/1312276091.db2.gz JEHBKIJIFNWCGD-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592113 1312276770 /nfs/dbraw/zinc/27/67/70/1312276770.db2.gz RQYZOQOXGGJPMQ-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001230598100 1312278299 /nfs/dbraw/zinc/27/82/99/1312278299.db2.gz FKTLAYMAKFIHMW-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230613195 1312284135 /nfs/dbraw/zinc/28/41/35/1312284135.db2.gz MBNTVFGOCFWXKQ-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230617925 1312286072 /nfs/dbraw/zinc/28/60/72/1312286072.db2.gz IIBLCOMUXILAGZ-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230631191 1312290844 /nfs/dbraw/zinc/29/08/44/1312290844.db2.gz YESUTOYIVDUZDM-FQEVSTJZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003278 1312348253 /nfs/dbraw/zinc/34/82/53/1312348253.db2.gz GGSGIRDFEXQDJB-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCC[N@@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829912 1312361380 /nfs/dbraw/zinc/36/13/80/1312361380.db2.gz RBTNXWOLNXEDIQ-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1cccnc1 ZINC001230846276 1312369080 /nfs/dbraw/zinc/36/90/80/1312369080.db2.gz CMLBKQPNTRXKRF-UHFFFAOYSA-N 2 0 346.519 2.554 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097956 1312453652 /nfs/dbraw/zinc/45/36/52/1312453652.db2.gz YTJMHLPCKJXXNQ-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114329 1312473029 /nfs/dbraw/zinc/47/30/29/1312473029.db2.gz DYNZSPOMPSPRGC-BGYRXZFFSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531137 1312533691 /nfs/dbraw/zinc/53/36/91/1312533691.db2.gz AHQLIQOKNDYSCR-QZTJIDSGSA-N 2 0 333.520 2.703 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165293339 1312604613 /nfs/dbraw/zinc/60/46/13/1312604613.db2.gz PDDOHJBITBIADD-UHFFFAOYSA-N 2 0 335.517 2.876 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001211234139 1314460979 /nfs/dbraw/zinc/46/09/79/1314460979.db2.gz VHIOBIMCGVMPGC-UYAOXDASSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250966 1314463080 /nfs/dbraw/zinc/46/30/80/1314463080.db2.gz ZBOKMWVHXOXJLO-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211338366 1314479193 /nfs/dbraw/zinc/47/91/93/1314479193.db2.gz ZNEMYCGIZNQZNV-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)CC2)CC1 ZINC001052953733 1314513671 /nfs/dbraw/zinc/51/36/71/1314513671.db2.gz GYLMBDNOWQKPRB-HXUWFJFHSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052958827 1314518886 /nfs/dbraw/zinc/51/88/86/1314518886.db2.gz PQTMOTYGRIWHPL-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965784 1314523728 /nfs/dbraw/zinc/52/37/28/1314523728.db2.gz APOMRUJDSSKDOH-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001019855786 1314526762 /nfs/dbraw/zinc/52/67/62/1314526762.db2.gz LPMKXZQAHCKVDM-AWEZNQCLSA-N 2 0 339.867 2.678 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245983569 1314558828 /nfs/dbraw/zinc/55/88/28/1314558828.db2.gz LKGXDZLPFVZCFS-HCXYKTFWSA-N 2 0 326.525 2.845 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245981441 1314558986 /nfs/dbraw/zinc/55/89/86/1314558986.db2.gz GZADJSLYWZYSAD-ZSYWTGECSA-N 2 0 326.525 2.702 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246001855 1314564295 /nfs/dbraw/zinc/56/42/95/1314564295.db2.gz PDPTTWQNWSMZPB-FHWLQOOXSA-N 2 0 328.541 2.971 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246002030 1314564438 /nfs/dbraw/zinc/56/44/38/1314564438.db2.gz LENYLBVRLSHEID-KRWDZBQOSA-N 2 0 342.524 2.763 20 30 EFEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246024616 1314567715 /nfs/dbraw/zinc/56/77/15/1314567715.db2.gz PGXFKGCVTUYIFY-GOSISDBHSA-N 2 0 326.525 2.800 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246050490 1314574215 /nfs/dbraw/zinc/57/42/15/1314574215.db2.gz WXVXQFUUACSAIZ-WOJBJXKFSA-N 2 0 339.568 2.985 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246050489 1314574313 /nfs/dbraw/zinc/57/43/13/1314574313.db2.gz WXVXQFUUACSAIZ-VQTJNVASSA-N 2 0 339.568 2.985 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027825 1314598449 /nfs/dbraw/zinc/59/84/49/1314598449.db2.gz HRTZISNJLYXZFQ-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cc(C#N)c21 ZINC001246329328 1314611069 /nfs/dbraw/zinc/61/10/69/1314611069.db2.gz VANDRVUWJUYAPG-NJSLBKSFSA-N 2 0 338.455 2.834 20 30 EFEDRP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329330 1314611090 /nfs/dbraw/zinc/61/10/90/1314611090.db2.gz VANDRVUWJUYAPG-PJIJBLCYSA-N 2 0 338.455 2.834 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036956 1314615927 /nfs/dbraw/zinc/61/59/27/1314615927.db2.gz SHWGSXYPDUPFBK-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C[C@H]1CC[C@H](N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442885 1314629662 /nfs/dbraw/zinc/62/96/62/1314629662.db2.gz QVALJSNHBRCWFH-KNTRFNDTSA-N 2 0 326.488 2.771 20 30 EFEDRP C[C@@H]1CC[C@@H](N(Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443005 1314629694 /nfs/dbraw/zinc/62/96/94/1314629694.db2.gz SCTXAEZWPMHAQJ-HUYLIWGRSA-N 2 0 326.488 2.771 20 30 EFEDRP C[C@@H]1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442884 1314629726 /nfs/dbraw/zinc/62/97/26/1314629726.db2.gz QVALJSNHBRCWFH-HUYLIWGRSA-N 2 0 326.488 2.771 20 30 EFEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]CCC[NH2+]CCCC[NH3+])CC1 ZINC001246454952 1314630503 /nfs/dbraw/zinc/63/05/03/1314630503.db2.gz BOLNLXWWHWPYKO-UHFFFAOYSA-N 3 0 346.494 2.838 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049878 1314635126 /nfs/dbraw/zinc/63/51/26/1314635126.db2.gz ATIRLOFGQLXCRK-OALUTQOASA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050120 1314636610 /nfs/dbraw/zinc/63/66/10/1314636610.db2.gz COPCWOXXKKXQGB-UXHICEINSA-N 2 0 347.547 2.999 20 30 EFEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561628 1314649493 /nfs/dbraw/zinc/64/94/93/1314649493.db2.gz RJKBQPGUQFRXEF-MHJFOBGBSA-N 2 0 345.462 2.705 20 30 EFEDRP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CC[NH2+]CC[C@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246681114 1314669752 /nfs/dbraw/zinc/66/97/52/1314669752.db2.gz GZGFSHBDICKMNP-DYUPNXQLSA-N 2 0 346.515 2.986 20 30 EFEDRP CCCCCCCC[C@@H](CCC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246824551 1314690652 /nfs/dbraw/zinc/69/06/52/1314690652.db2.gz YWVORMCKUAUTSY-HXUWFJFHSA-N 2 0 340.600 2.990 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088195 1314695843 /nfs/dbraw/zinc/69/58/43/1314695843.db2.gz QUXBBDKTFUNPSD-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP N#Cc1cccc(N2CC[NH+](C3CCC4(CCC[NH2+]C4)CC3)CC2)c1 ZINC001246892010 1314704009 /nfs/dbraw/zinc/70/40/09/1314704009.db2.gz ONARJGVLEFDDOD-UHFFFAOYSA-N 2 0 338.499 2.993 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094579 1314707026 /nfs/dbraw/zinc/70/70/26/1314707026.db2.gz GBNKHCYEHCKKHH-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096056 1314707913 /nfs/dbraw/zinc/70/79/13/1314707913.db2.gz OMIOXOUVHHOKTI-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096053 1314707979 /nfs/dbraw/zinc/70/79/79/1314707979.db2.gz OMIOXOUVHHOKTI-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214902441 1314756062 /nfs/dbraw/zinc/75/60/62/1314756062.db2.gz PLARMHNJAGJLOW-KURKYZTESA-N 2 0 325.541 2.980 20 30 EFEDRP CCCCCCCCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001247154240 1314749646 /nfs/dbraw/zinc/74/96/46/1314749646.db2.gz OVEQERXQWWJDNH-UHFFFAOYSA-N 2 0 330.586 2.647 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248071 1314817999 /nfs/dbraw/zinc/81/79/99/1314817999.db2.gz LUGDPFQKNBTLBB-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1cccc(-c2noc([C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904489 1314863989 /nfs/dbraw/zinc/86/39/89/1314863989.db2.gz HFEWNMOGQFMVQN-MRXNPFEDSA-N 2 0 337.427 2.540 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215977066 1314896257 /nfs/dbraw/zinc/89/62/57/1314896257.db2.gz CPAPGXTURIDMFN-BMFZPTHFSA-N 2 0 329.916 2.542 20 30 EFEDRP N#Cc1ccc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)c2ccccc12 ZINC001248222087 1314907911 /nfs/dbraw/zinc/90/79/11/1314907911.db2.gz BHGSEDZHTPHBIG-AWEZNQCLSA-N 2 0 335.411 2.760 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216349228 1314943044 /nfs/dbraw/zinc/94/30/44/1314943044.db2.gz VLFWMCMDQFTQNL-ZTFGCOKTSA-N 2 0 349.906 2.868 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413301 1314950972 /nfs/dbraw/zinc/95/09/72/1314950972.db2.gz HRYWSOVCKPXVDJ-BFYDXBDKSA-N 2 0 330.476 2.552 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216829293 1315012943 /nfs/dbraw/zinc/01/29/43/1315012943.db2.gz VAJUTHZFTFZOFY-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833224 1315116457 /nfs/dbraw/zinc/11/64/57/1315116457.db2.gz RMIDCYASVJGKCT-QUCCMNQESA-N 2 0 343.471 2.570 20 30 EFEDRP N#Cc1ccc(-c2csc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])n2)s1 ZINC001218788305 1315241896 /nfs/dbraw/zinc/24/18/96/1315241896.db2.gz RIJWFOSWUXBQEE-JTQLQIEISA-N 2 0 349.485 2.528 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133952 1315345030 /nfs/dbraw/zinc/34/50/30/1315345030.db2.gz QOWIYUOHUDOMCT-CTNGQTDRSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054134457 1315345725 /nfs/dbraw/zinc/34/57/25/1315345725.db2.gz DVERMYRXMQCLCO-QKNQBKEWSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054139533 1315353453 /nfs/dbraw/zinc/35/34/53/1315353453.db2.gz OUMPYXBFMKJVKD-LJQANCHMSA-N 2 0 347.528 2.924 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141385 1315357009 /nfs/dbraw/zinc/35/70/09/1315357009.db2.gz KGXTXOINKDNIFJ-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145364 1315363855 /nfs/dbraw/zinc/36/38/55/1315363855.db2.gz ODTJLEUJDHKKFL-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153608 1315378927 /nfs/dbraw/zinc/37/89/27/1315378927.db2.gz UYJCSERSVNWSCS-AEFFLSMTSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159144 1315386831 /nfs/dbraw/zinc/38/68/31/1315386831.db2.gz SZSNKPNVPVRNSR-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160118 1315388325 /nfs/dbraw/zinc/38/83/25/1315388325.db2.gz WBBUBSKHSBRMPH-LJQANCHMSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170178 1315404178 /nfs/dbraw/zinc/40/41/78/1315404178.db2.gz CIBCLXYAMYATAO-TZIWHRDSSA-N 2 0 345.531 2.751 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252130455 1315416899 /nfs/dbraw/zinc/41/68/99/1315416899.db2.gz QSQQKGRCINXZGZ-HXUWFJFHSA-N 2 0 339.568 2.811 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252130717 1315416906 /nfs/dbraw/zinc/41/69/06/1315416906.db2.gz XFPDFSHEWSXYSI-IBGZPJMESA-N 2 0 327.557 2.667 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252134140 1315417956 /nfs/dbraw/zinc/41/79/56/1315417956.db2.gz NPTSSNJYFTWWME-IBGZPJMESA-N 2 0 327.557 2.714 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182612 1315422515 /nfs/dbraw/zinc/42/25/15/1315422515.db2.gz NYHSDTDYPGZIKW-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197536 1315440986 /nfs/dbraw/zinc/44/09/86/1315440986.db2.gz YOMFHRLHHFRFEA-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474222 1315453670 /nfs/dbraw/zinc/45/36/70/1315453670.db2.gz WTIUPJRDXZAUDC-RTWAWAEBSA-N 2 0 344.499 2.538 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209114 1315459176 /nfs/dbraw/zinc/45/91/76/1315459176.db2.gz JPWBEWBIDSWWFU-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209628 1315460940 /nfs/dbraw/zinc/46/09/40/1315460940.db2.gz UIVTYOZHOWLGGV-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC001221010635 1315470919 /nfs/dbraw/zinc/47/09/19/1315470919.db2.gz MSQHVBGIEKVKJI-NQIIRXRSSA-N 2 0 341.499 2.712 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225844 1315483518 /nfs/dbraw/zinc/48/35/18/1315483518.db2.gz FZTGQAVVCHUHNJ-OAQYLSRUSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227255 1315486045 /nfs/dbraw/zinc/48/60/45/1315486045.db2.gz FZLDUEVDVFAOTO-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233711 1315497599 /nfs/dbraw/zinc/49/75/99/1315497599.db2.gz QOBCTHYKMHPDFY-IBGZPJMESA-N 2 0 330.476 2.541 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054233712 1315497697 /nfs/dbraw/zinc/49/76/97/1315497697.db2.gz QOBCTHYKMHPDFY-LJQANCHMSA-N 2 0 330.476 2.541 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243739 1315513765 /nfs/dbraw/zinc/51/37/65/1315513765.db2.gz NDVCZDQKYFLGLL-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054244827 1315514857 /nfs/dbraw/zinc/51/48/57/1315514857.db2.gz JEYVVVOVCWKEOQ-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244841 1315515009 /nfs/dbraw/zinc/51/50/09/1315515009.db2.gz JSUPHUMABIYJCV-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245541 1315516917 /nfs/dbraw/zinc/51/69/17/1315516917.db2.gz VGDJFZSYFOQZTQ-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134468 1315518277 /nfs/dbraw/zinc/51/82/77/1315518277.db2.gz PRLCLWZJDFQSQG-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039134491 1315518483 /nfs/dbraw/zinc/51/84/83/1315518483.db2.gz QPTUGYPOEDVBOA-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140233 1315528280 /nfs/dbraw/zinc/52/82/80/1315528280.db2.gz RBAHEEMVYUPUAC-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139796 1315528416 /nfs/dbraw/zinc/52/84/16/1315528416.db2.gz JWKFYUHPWNKERG-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139799 1315528896 /nfs/dbraw/zinc/52/88/96/1315528896.db2.gz JWKFYUHPWNKERG-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145234 1315537803 /nfs/dbraw/zinc/53/78/03/1315537803.db2.gz XJAHRHTXOLJFDI-PMACEKPBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039151995 1315545389 /nfs/dbraw/zinc/54/53/89/1315545389.db2.gz QIIBUHINFUFSCD-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039151993 1315546186 /nfs/dbraw/zinc/54/61/86/1315546186.db2.gz QIIBUHINFUFSCD-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039154679 1315550209 /nfs/dbraw/zinc/55/02/09/1315550209.db2.gz DQMJYMIRSXDUAS-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159102 1315555242 /nfs/dbraw/zinc/55/52/42/1315555242.db2.gz CTIZRTMGKARFON-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001221616330 1315563943 /nfs/dbraw/zinc/56/39/43/1315563943.db2.gz JYCUZXACTCAGEM-YZGWKJHDSA-N 2 0 345.531 2.892 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616927 1315564826 /nfs/dbraw/zinc/56/48/26/1315564826.db2.gz WONOCZXQBLMHFW-QZTJIDSGSA-N 2 0 335.536 2.974 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165430 1315565185 /nfs/dbraw/zinc/56/51/85/1315565185.db2.gz PVVKNLBHAHCDJZ-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039183131 1315591215 /nfs/dbraw/zinc/59/12/15/1315591215.db2.gz WSGCRRLZGJFNDF-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001253577747 1315616075 /nfs/dbraw/zinc/61/60/75/1315616075.db2.gz PLPAVTPEUOOVPW-SFHVURJKSA-N 2 0 330.472 2.530 20 30 EFEDRP C=C[C@@H](O)C[NH+]1CCC2(CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC001253576061 1315616330 /nfs/dbraw/zinc/61/63/30/1315616330.db2.gz JNZWHNLYXGFDHQ-LJQANCHMSA-N 2 0 344.499 2.920 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204693 1315617324 /nfs/dbraw/zinc/61/73/24/1315617324.db2.gz AAJZIUOIENYCGV-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCCC1(CC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)N=N1 ZINC001254054013 1315669729 /nfs/dbraw/zinc/66/97/29/1315669729.db2.gz IZLVHMIZYGYIKU-UHFFFAOYSA-N 2 0 340.471 2.569 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039275899 1315697784 /nfs/dbraw/zinc/69/77/84/1315697784.db2.gz CXYKXECPOFNSQC-HDDXRBDOSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001039278380 1315698811 /nfs/dbraw/zinc/69/88/11/1315698811.db2.gz GAHGIJCEFCSNEA-IPQPSQTFSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039283421 1315701334 /nfs/dbraw/zinc/70/13/34/1315701334.db2.gz UQNUUIDTYMKJJZ-AKBNIOSXSA-N 2 0 339.911 2.581 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039286267 1315702181 /nfs/dbraw/zinc/70/21/81/1315702181.db2.gz LMYJZGVRZBILBC-MSRNWOCLSA-N 2 0 333.520 2.939 20 30 EFEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001254507612 1315712138 /nfs/dbraw/zinc/71/21/38/1315712138.db2.gz DEVVSXJNQZSCJX-IBGZPJMESA-N 2 0 326.488 2.597 20 30 EFEDRP CC(N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001254600184 1315729782 /nfs/dbraw/zinc/72/97/82/1315729782.db2.gz QLYSSAPBUUHMAM-SFHVURJKSA-N 2 0 338.411 2.729 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157763 1315745726 /nfs/dbraw/zinc/74/57/26/1315745726.db2.gz LAKQRNCQUOHHPF-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001039385182 1315755150 /nfs/dbraw/zinc/75/51/50/1315755150.db2.gz AXFFVTJHKGXQMQ-QYZOEREBSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447804 1315797563 /nfs/dbraw/zinc/79/75/63/1315797563.db2.gz KPVDRYWSDKUKHW-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C[NH+]1CCC(C#N)(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255393444 1315815770 /nfs/dbraw/zinc/81/57/70/1315815770.db2.gz QMTMXTSNCCTZNE-IBGZPJMESA-N 2 0 326.488 2.619 20 30 EFEDRP C=CCOC(=O)N1CCC2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001255674223 1315856072 /nfs/dbraw/zinc/85/60/72/1315856072.db2.gz NDMOPBVFKLUVMB-JWTNVVGKSA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255950895 1315884240 /nfs/dbraw/zinc/88/42/40/1315884240.db2.gz FCSHSXYVHPTWLZ-INIZCTEOSA-N 2 0 325.497 2.731 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052427479 1315945882 /nfs/dbraw/zinc/94/58/82/1315945882.db2.gz ZMHTXRWMKPKHHN-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652216 1315975708 /nfs/dbraw/zinc/97/57/08/1315975708.db2.gz VTRSACUZDGCLRJ-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP N#Cc1cccc(OCCC[NH2+]C2CCC([NH+]3CCOCC3)CC2)c1 ZINC001256683993 1315981530 /nfs/dbraw/zinc/98/15/30/1315981530.db2.gz KOEVTELUBQZDLO-UHFFFAOYSA-N 2 0 343.471 2.560 20 30 EFEDRP N#Cc1ccc2c(c1)CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256690078 1315982033 /nfs/dbraw/zinc/98/20/33/1315982033.db2.gz FPHSJWHXKLTZJK-UHFFFAOYSA-N 2 0 325.456 2.560 20 30 EFEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C#N)CC1)C2 ZINC001256966654 1316015711 /nfs/dbraw/zinc/01/57/11/1316015711.db2.gz MNLNIEGSLNIYEC-RDVQEIBISA-N 2 0 331.504 2.749 20 30 EFEDRP N#CC1CCC([N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001256968838 1316016420 /nfs/dbraw/zinc/01/64/20/1316016420.db2.gz PBAACRDAMRATOK-XUUQEUKMSA-N 2 0 331.504 2.892 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C2 ZINC001258002427 1316108286 /nfs/dbraw/zinc/10/82/86/1316108286.db2.gz KDGDZJXDBOYDHP-IBGZPJMESA-N 2 0 343.515 2.602 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199976 1316139546 /nfs/dbraw/zinc/13/95/46/1316139546.db2.gz DIOYOXXKMMVXDL-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP COC(=O)CC[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258360458 1316142839 /nfs/dbraw/zinc/14/28/39/1316142839.db2.gz DSDCHMAIBHFWFA-SNRMKQJTSA-N 2 0 343.471 2.972 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240772 1316160760 /nfs/dbraw/zinc/16/07/60/1316160760.db2.gz JJKHJEBFHNZCOW-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242520 1316162270 /nfs/dbraw/zinc/16/22/70/1316162270.db2.gz YQFUDPCOASZIGG-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264577 1316174075 /nfs/dbraw/zinc/17/40/75/1316174075.db2.gz PQUGKGTVNPTCEV-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC[NH+](CCC)CC3)C2)C1 ZINC001258771710 1316176939 /nfs/dbraw/zinc/17/69/39/1316176939.db2.gz QGGMXAIBDYWTLF-FQEVSTJZSA-N 2 0 349.519 2.971 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276551 1316179774 /nfs/dbraw/zinc/17/97/74/1316179774.db2.gz NKYAYODVPOJDBO-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295606 1316189454 /nfs/dbraw/zinc/18/94/54/1316189454.db2.gz GMAATUJKMCZFLF-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C2 ZINC001258898667 1316190551 /nfs/dbraw/zinc/19/05/51/1316190551.db2.gz OLVYAZKOFYJQLQ-IEBWSBKVSA-N 2 0 345.531 2.992 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312260 1316196989 /nfs/dbraw/zinc/19/69/89/1316196989.db2.gz AQZXAKNIMGDERT-TZIWHRDSSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355312 1316219001 /nfs/dbraw/zinc/21/90/01/1316219001.db2.gz ANCNXZVPXFIVNR-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432262 1316261957 /nfs/dbraw/zinc/26/19/57/1316261957.db2.gz NNKAAKLCUPJXKH-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432252 1316262260 /nfs/dbraw/zinc/26/22/60/1316262260.db2.gz NNKAAKLCUPJXKH-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432256 1316262297 /nfs/dbraw/zinc/26/22/97/1316262297.db2.gz NNKAAKLCUPJXKH-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432997 1316262826 /nfs/dbraw/zinc/26/28/26/1316262826.db2.gz QVKICAIDKCMJTM-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040433181 1316263702 /nfs/dbraw/zinc/26/37/02/1316263702.db2.gz UHQZPBRIZHTYIW-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001040515139 1316303347 /nfs/dbraw/zinc/30/33/47/1316303347.db2.gz ZRMHYRVNKNYKMU-RTWAWAEBSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545438 1316316500 /nfs/dbraw/zinc/31/65/00/1316316500.db2.gz QBUVWVIWBKFBES-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040701384 1316354830 /nfs/dbraw/zinc/35/48/30/1316354830.db2.gz JHVPGFHWOQGTGJ-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040705402 1316355470 /nfs/dbraw/zinc/35/54/70/1316355470.db2.gz HUFSXLVQBKTQKG-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040722173 1316359681 /nfs/dbraw/zinc/35/96/81/1316359681.db2.gz OUPYEQXSYBTCTA-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040745552 1316365254 /nfs/dbraw/zinc/36/52/54/1316365254.db2.gz OEARKRPDRHLDLU-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746141 1316365528 /nfs/dbraw/zinc/36/55/28/1316365528.db2.gz WJTVNJLBHSEPKJ-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040786793 1316374907 /nfs/dbraw/zinc/37/49/07/1316374907.db2.gz IUHSJJLPXUREOX-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040874973 1316394300 /nfs/dbraw/zinc/39/43/00/1316394300.db2.gz NKTJZNAZCRNHHQ-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040875119 1316394877 /nfs/dbraw/zinc/39/48/77/1316394877.db2.gz RYIUCXSCEDQCEP-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882173 1316396499 /nfs/dbraw/zinc/39/64/99/1316396499.db2.gz ACSPWTZEVTULEW-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040901335 1316401066 /nfs/dbraw/zinc/40/10/66/1316401066.db2.gz KAVYWGLPOCJDQC-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912739 1316403518 /nfs/dbraw/zinc/40/35/18/1316403518.db2.gz SYQVTIDLIJDWBP-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001040951126 1316409967 /nfs/dbraw/zinc/40/99/67/1316409967.db2.gz DNHHIBASDZRWJN-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276245 1316499127 /nfs/dbraw/zinc/49/91/27/1316499127.db2.gz JOYXWMORCQLZND-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725141 1316668096 /nfs/dbraw/zinc/66/80/96/1316668096.db2.gz KSWIGRHCUAWLSE-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767695 1316688547 /nfs/dbraw/zinc/68/85/47/1316688547.db2.gz KSKOAIRHWHNCOB-NRFANRHFSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782183 1316696384 /nfs/dbraw/zinc/69/63/84/1316696384.db2.gz SMQFBSALZVWMRN-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844647 1316730958 /nfs/dbraw/zinc/73/09/58/1316730958.db2.gz BUVRFOVDQZTVKW-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844582 1316730969 /nfs/dbraw/zinc/73/09/69/1316730969.db2.gz LLGQPMZEJCYCAR-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846060 1316732072 /nfs/dbraw/zinc/73/20/72/1316732072.db2.gz WJVOEVGTXBPNKN-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845572 1316732078 /nfs/dbraw/zinc/73/20/78/1316732078.db2.gz IRXLTMBXYXDNNB-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062762 1316852439 /nfs/dbraw/zinc/85/24/39/1316852439.db2.gz OPPSJOKOMUDXAF-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186187 1316940164 /nfs/dbraw/zinc/94/01/64/1316940164.db2.gz DRYMYKSFZBRYNY-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001042234208 1316998444 /nfs/dbraw/zinc/99/84/44/1316998444.db2.gz LBJHJQMQLLXYMC-UYAOXDASSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296979 1317108821 /nfs/dbraw/zinc/10/88/21/1317108821.db2.gz KDOQLPVWHOWPAV-PKOBYXMFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042307889 1317129592 /nfs/dbraw/zinc/12/95/92/1317129592.db2.gz QEHBEYCSXVQXJV-QUCCMNQESA-N 2 0 345.531 2.607 20 30 EFEDRP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)cn1 ZINC001279161838 1317200844 /nfs/dbraw/zinc/20/08/44/1317200844.db2.gz WNAMGIWGGDICAH-UHFFFAOYSA-N 2 0 349.482 2.698 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042363986 1317215975 /nfs/dbraw/zinc/21/59/75/1317215975.db2.gz BBLYKUCOBPVDMC-QUCCMNQESA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365840 1317218805 /nfs/dbraw/zinc/21/88/05/1317218805.db2.gz RCQXROJKQDCPAQ-AZUAARDMSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001323835586 1329576611 /nfs/dbraw/zinc/57/66/11/1329576611.db2.gz MIUVMGOSLGTSJO-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001334120335 1331251125 /nfs/dbraw/zinc/25/11/25/1331251125.db2.gz CKUFTFLQBWEWTD-UHFFFAOYSA-N 2 0 347.422 2.639 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570364 1332268881 /nfs/dbraw/zinc/26/88/81/1332268881.db2.gz XNGYHBFJNXDEHR-MOPGFXCFSA-N 2 0 329.488 2.698 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001343560731 1332357879 /nfs/dbraw/zinc/35/78/79/1332357879.db2.gz OWNOTBZQKXKUMJ-MJGOQNOKSA-N 2 0 329.488 2.793 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001751020 1333438598 /nfs/dbraw/zinc/43/85/98/1333438598.db2.gz GJOAZQQBYDBHDT-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756701 1333446833 /nfs/dbraw/zinc/44/68/33/1333446833.db2.gz IMTRLGPFNLGQOI-IBGZPJMESA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001002028615 1333954182 /nfs/dbraw/zinc/95/41/82/1333954182.db2.gz CRPLWRZALUYBJR-UHFFFAOYSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100602110 1334382321 /nfs/dbraw/zinc/38/23/21/1334382321.db2.gz TYXRXAKZJNSRKT-TVPLGVNVSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606398 1334391832 /nfs/dbraw/zinc/39/18/32/1334391832.db2.gz CAZQIJMAXITCSL-BMHOQUIDSA-N 2 0 335.536 2.948 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000849050174 1335057608 /nfs/dbraw/zinc/05/76/08/1335057608.db2.gz PUFUGVAGBIBYOQ-GOSISDBHSA-N 2 0 340.471 2.857 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570785 1335316826 /nfs/dbraw/zinc/31/68/26/1335316826.db2.gz OZFKADNGEMVWAX-NEWSRXKRSA-N 2 0 329.488 2.697 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001366074074 1337365905 /nfs/dbraw/zinc/36/59/05/1337365905.db2.gz CCVCWRZVSIDZGR-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234590 1337468087 /nfs/dbraw/zinc/46/80/87/1337468087.db2.gz XDAOOTLPEPIBDR-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CN(C)Cc2ccccc2)C1 ZINC001366854305 1338121428 /nfs/dbraw/zinc/12/14/28/1338121428.db2.gz SNYUSKRLLNTFMO-SFHVURJKSA-N 2 0 349.906 2.699 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001367435858 1338738098 /nfs/dbraw/zinc/73/80/98/1338738098.db2.gz AFZNZEMPZXDDAI-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCc2c[nH]cn2)CCCC[C@@H]1C ZINC001373907850 1341198711 /nfs/dbraw/zinc/19/87/11/1341198711.db2.gz YGDRHMNHDIKGHR-SUMWQHHRSA-N 2 0 338.883 2.750 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001376614815 1343722142 /nfs/dbraw/zinc/72/21/42/1343722142.db2.gz CLLIGHXVPFTPKM-CVEARBPZSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001377768070 1344416307 /nfs/dbraw/zinc/41/63/07/1344416307.db2.gz WCKDPAPTNPDSFS-QGZVFWFLSA-N 2 0 349.906 2.895 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001393857355 1357215984 /nfs/dbraw/zinc/21/59/84/1357215984.db2.gz ZDWQPOBFBRCXGF-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001378470010 1345104060 /nfs/dbraw/zinc/10/40/60/1345104060.db2.gz QIJPDOUBWSFQJZ-QGZVFWFLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001378927022 1345431792 /nfs/dbraw/zinc/43/17/92/1345431792.db2.gz PXBDBJYKDWAMTM-WBVHZDCISA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001378926940 1345432226 /nfs/dbraw/zinc/43/22/26/1345432226.db2.gz PXBDBJYKDWAMTM-DOTOQJQBSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001380266111 1347561266 /nfs/dbraw/zinc/56/12/66/1347561266.db2.gz AQPJHRCJJHURCN-CQSZACIVSA-N 2 0 341.908 2.756 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001380685573 1347812599 /nfs/dbraw/zinc/81/25/99/1347812599.db2.gz UGUWKSLUWLZZPF-MAUKXSAKSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391361347 1355125759 /nfs/dbraw/zinc/12/57/59/1355125759.db2.gz XWXDMSQHVGMRSE-OAHLLOKOSA-N 2 0 346.862 2.789 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001391363090 1355128644 /nfs/dbraw/zinc/12/86/44/1355128644.db2.gz OJKJPILILVRJHQ-MRXNPFEDSA-N 2 0 347.906 2.589 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1sccc1C[NH+](C)C ZINC001391687882 1355435758 /nfs/dbraw/zinc/43/57/58/1355435758.db2.gz XCDSQFNEFWVDLE-CYBMUJFWSA-N 2 0 329.897 2.660 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060705 1387390333 /nfs/dbraw/zinc/39/03/33/1387390333.db2.gz SOMDBXJINRVAGX-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001397136362 1359698446 /nfs/dbraw/zinc/69/84/46/1359698446.db2.gz NCOVXHZABYTUGA-SZMVWBNQSA-N 2 0 349.906 2.916 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192886 1360369085 /nfs/dbraw/zinc/36/90/85/1360369085.db2.gz ARMHGGTUDRHGRY-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001398838502 1360825660 /nfs/dbraw/zinc/82/56/60/1360825660.db2.gz DIUPBVQGRNWJBW-UHFFFAOYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001401073540 1362414777 /nfs/dbraw/zinc/41/47/77/1362414777.db2.gz APVHTNQHMSYPSK-INIZCTEOSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401295834 1362642210 /nfs/dbraw/zinc/64/22/10/1362642210.db2.gz ZFWATCZYRUUKRW-SJORKVTESA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001401297662 1362644102 /nfs/dbraw/zinc/64/41/02/1362644102.db2.gz PFFXUMZXNOPRAQ-CVEARBPZSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001402051998 1363360900 /nfs/dbraw/zinc/36/09/00/1363360900.db2.gz JIXLEMRBEDVNFN-GOSISDBHSA-N 2 0 349.906 2.737 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402809776 1364056900 /nfs/dbraw/zinc/05/69/00/1364056900.db2.gz CRLQVKYEVYKKKK-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001402890156 1364113021 /nfs/dbraw/zinc/11/30/21/1364113021.db2.gz KYCMUKMNKUZBFB-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001403782842 1364933767 /nfs/dbraw/zinc/93/37/67/1364933767.db2.gz AZYVBQDBNYVUMZ-AEFFLSMTSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001405534147 1366276148 /nfs/dbraw/zinc/27/61/48/1366276148.db2.gz BILKERPZJAUMRN-KRWDZBQOSA-N 2 0 335.879 2.629 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001406173848 1367367240 /nfs/dbraw/zinc/36/72/40/1367367240.db2.gz CNOLKABUCIQRLY-IAGOWNOFSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001407020555 1368335505 /nfs/dbraw/zinc/33/55/05/1368335505.db2.gz LIQJSIKBBOROAS-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001407255543 1368659555 /nfs/dbraw/zinc/65/95/55/1368659555.db2.gz BOARUMNZQIGXNC-GOSISDBHSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)CN(CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001418551423 1374166080 /nfs/dbraw/zinc/16/60/80/1374166080.db2.gz YPWHVLZQHZJONC-MRXNPFEDSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001419396108 1375218931 /nfs/dbraw/zinc/21/89/31/1375218931.db2.gz JTZDPKUWGWUITE-UHFFFAOYSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001420733408 1377580303 /nfs/dbraw/zinc/58/03/03/1377580303.db2.gz RRSBJYSRSUVUQH-CQSZACIVSA-N 2 0 341.908 2.660 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001420753768 1377600412 /nfs/dbraw/zinc/60/04/12/1377600412.db2.gz BYYKGNYZHWPUJN-ZBFHGGJFSA-N 2 0 329.916 2.542 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001421167986 1378218044 /nfs/dbraw/zinc/21/80/44/1378218044.db2.gz IQOZRIOCVNHWOF-MRXNPFEDSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421550725 1378797321 /nfs/dbraw/zinc/79/73/21/1378797321.db2.gz UVNSASZGKYKIBQ-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001421732888 1379051716 /nfs/dbraw/zinc/05/17/16/1379051716.db2.gz SVYVBITZUKBUNY-PBHICJAKSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001438430880 1388592748 /nfs/dbraw/zinc/59/27/48/1388592748.db2.gz DNXZFXARFTVJEE-RDTXWAMCSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CCCCC1 ZINC001438747224 1388783000 /nfs/dbraw/zinc/78/30/00/1388783000.db2.gz MUTZHJRCDWVRDL-MRXNPFEDSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001424196367 1382852220 /nfs/dbraw/zinc/85/22/20/1382852220.db2.gz HRQNLSQECYIQDM-HNNXBMFYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480083703 1398119098 /nfs/dbraw/zinc/11/90/98/1398119098.db2.gz GYYSFTDUDJESPK-MRXNPFEDSA-N 2 0 343.943 2.887 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865575 1401060608 /nfs/dbraw/zinc/06/06/08/1401060608.db2.gz XQORXWNZUQOBNN-JKSUJKDBSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001500347150 1403067205 /nfs/dbraw/zinc/06/72/05/1403067205.db2.gz AQFRSCDXVFKMBZ-GOSISDBHSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001500428701 1403116086 /nfs/dbraw/zinc/11/60/86/1403116086.db2.gz OPCBLHGSBYKURX-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001503691271 1404500335 /nfs/dbraw/zinc/50/03/35/1404500335.db2.gz LLGXKOOTBNYLMA-RBUKOAKNSA-N 2 0 329.488 2.618 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567100611 1415932932 /nfs/dbraw/zinc/93/29/32/1415932932.db2.gz RBUGTLHCQFMFTH-HKUYNNGSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH+](CC)CC)CC2)CC1 ZINC000106341035 1416799803 /nfs/dbraw/zinc/79/98/03/1416799803.db2.gz SNFRXEOLQBJOIO-UHFFFAOYSA-N 2 0 336.524 2.543 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001698552403 1417302512 /nfs/dbraw/zinc/30/25/12/1417302512.db2.gz JNUBVOWNAJOEMJ-IEBWSBKVSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)C)CC1 ZINC001700126360 1417576697 /nfs/dbraw/zinc/57/66/97/1417576697.db2.gz QHRFRLYKFRRURK-HXUWFJFHSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001716715272 1418970580 /nfs/dbraw/zinc/97/05/80/1418970580.db2.gz RJONONGYVMIGPE-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723199 717892157 /nfs/dbraw/zinc/89/21/57/717892157.db2.gz SMLADAYKYBRQTB-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723197 717892248 /nfs/dbraw/zinc/89/22/48/717892248.db2.gz SMLADAYKYBRQTB-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000383177166 713070186 /nfs/dbraw/zinc/07/01/86/713070186.db2.gz OVYZUAUQLBSZMX-IRXDYDNUSA-N 2 0 337.508 2.615 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001020502341 713087989 /nfs/dbraw/zinc/08/79/89/713087989.db2.gz JAZXEHVIMGRTTO-ZOBUZTSGSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679594 713214334 /nfs/dbraw/zinc/21/43/34/713214334.db2.gz HAJHYDBRRAJEIF-DLBZAZTESA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039132930 713469226 /nfs/dbraw/zinc/46/92/26/713469226.db2.gz DCDXXXUIMYXCDC-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326240 713636517 /nfs/dbraw/zinc/63/65/17/713636517.db2.gz OLYLJAVHTDFIAT-LPHOPBHVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428636 713707164 /nfs/dbraw/zinc/70/71/64/713707164.db2.gz QJLDLFRBVNBDIW-KRWDZBQOSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970453539 713721615 /nfs/dbraw/zinc/72/16/15/713721615.db2.gz TZTSNDXLACNKPJ-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980216143 717929108 /nfs/dbraw/zinc/92/91/08/717929108.db2.gz QNIANKLTLDOITF-ULQDDVLXSA-N 2 0 342.487 2.554 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241557 714153746 /nfs/dbraw/zinc/15/37/46/714153746.db2.gz CLOPBCZJWMWFFD-WOJBJXKFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039288754 714259900 /nfs/dbraw/zinc/25/99/00/714259900.db2.gz GQGRNRXGDLBZBJ-NPYXIHBLSA-N 2 0 339.911 2.581 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669940 714271516 /nfs/dbraw/zinc/27/15/16/714271516.db2.gz IPXYXTSLJJMWIO-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700435 714333102 /nfs/dbraw/zinc/33/31/02/714333102.db2.gz PVIQCSWXGHIBSG-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738507 714399046 /nfs/dbraw/zinc/39/90/46/714399046.db2.gz BQRMJCCWJMCWPZ-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845641 714479475 /nfs/dbraw/zinc/47/94/75/714479475.db2.gz LILIURFMFSXCEB-FUHWJXTLSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542134 714701113 /nfs/dbraw/zinc/70/11/13/714701113.db2.gz ZIZVAJMEYFGGJP-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681719 714882311 /nfs/dbraw/zinc/88/23/11/714882311.db2.gz GBVJCOCIUOKCFI-CVEARBPZSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024615450 718027721 /nfs/dbraw/zinc/02/77/21/718027721.db2.gz SQCDFKGZVQLPJW-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947192 715370177 /nfs/dbraw/zinc/37/01/77/715370177.db2.gz NRAZBWQICYSRHZ-RBUKOAKNSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975065541 715466702 /nfs/dbraw/zinc/46/67/02/715466702.db2.gz UIFIWEDCBHDGEZ-LJQANCHMSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947507326 715689391 /nfs/dbraw/zinc/68/93/91/715689391.db2.gz WSDYHDBZGLMGNY-DOTOQJQBSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409026 715699635 /nfs/dbraw/zinc/69/96/35/715699635.db2.gz BORCQXJBNOHYLH-HOTGVXAUSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001027410858 715703509 /nfs/dbraw/zinc/70/35/09/715703509.db2.gz HVLKUCNNEYXQCQ-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027430749 715774873 /nfs/dbraw/zinc/77/48/73/715774873.db2.gz WZXXTVZYWUTUAI-MRXNPFEDSA-N 2 0 335.517 2.922 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443423 715817117 /nfs/dbraw/zinc/81/71/17/715817117.db2.gz LSOLQHUPCCVBFW-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027446644 715832354 /nfs/dbraw/zinc/83/23/54/715832354.db2.gz QANLIWHMDKLZHA-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027446645 715832426 /nfs/dbraw/zinc/83/24/26/715832426.db2.gz QANLIWHMDKLZHA-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)cc1 ZINC000303907635 724434505 /nfs/dbraw/zinc/43/45/05/724434505.db2.gz WZTIZQFVJABTHT-HNNXBMFYSA-N 2 0 332.492 2.774 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+](CC)C(C)C)c1 ZINC000303991475 724442486 /nfs/dbraw/zinc/44/24/86/724442486.db2.gz ZLJCLXPAGOKJBL-UHFFFAOYSA-N 2 0 336.480 2.941 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977430711 716214559 /nfs/dbraw/zinc/21/45/59/716214559.db2.gz TUSTYTVKCURVRF-SFHVURJKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647317 716306179 /nfs/dbraw/zinc/30/61/79/716306179.db2.gz NMAMFBFSLIPSQY-UYAOXDASSA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646329 716313459 /nfs/dbraw/zinc/31/34/59/716313459.db2.gz FKUUKVISETXPOP-CTNGQTDRSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641283 716432774 /nfs/dbraw/zinc/43/27/74/716432774.db2.gz NDGIMRXBNIOGKM-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977648551 716440520 /nfs/dbraw/zinc/44/05/20/716440520.db2.gz ANKKOPLNCJGABN-GOSISDBHSA-N 2 0 345.487 2.585 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654941 716446652 /nfs/dbraw/zinc/44/66/52/716446652.db2.gz NJEJAKAVQOMPJG-LJQANCHMSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508316 716557594 /nfs/dbraw/zinc/55/75/94/716557594.db2.gz NTLAFKIBVBVEQG-SFHVURJKSA-N 2 0 343.515 2.809 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553260 716618375 /nfs/dbraw/zinc/61/83/75/716618375.db2.gz YKRYGWCDRFQAGX-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557546 716619026 /nfs/dbraw/zinc/61/90/26/716619026.db2.gz ZNXJRTPZHKXGSV-MSOLQXFVSA-N 2 0 344.503 2.548 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557547 716619138 /nfs/dbraw/zinc/61/91/38/716619138.db2.gz ZNXJRTPZHKXGSV-QZTJIDSGSA-N 2 0 344.503 2.548 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979074045 716705226 /nfs/dbraw/zinc/70/52/26/716705226.db2.gz BUXZOQBDTWCLMA-OWZKRDHZSA-N 2 0 341.499 2.622 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027577282 716717596 /nfs/dbraw/zinc/71/75/96/716717596.db2.gz IFJKREXGMNEQSZ-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614917 717018577 /nfs/dbraw/zinc/01/85/77/717018577.db2.gz ILANUIDUDLZIFO-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704079 717130688 /nfs/dbraw/zinc/13/06/88/717130688.db2.gz NBSYGTGAIUXXPG-ICSRJNTNSA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484865 717326180 /nfs/dbraw/zinc/32/61/80/717326180.db2.gz CPMFBERISZXATL-SJORKVTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000980490809 717343381 /nfs/dbraw/zinc/34/33/81/717343381.db2.gz MOKZYEUDJVDYJY-DLBZAZTESA-N 2 0 335.879 2.575 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440377 717738708 /nfs/dbraw/zinc/73/87/08/717738708.db2.gz ORJADLVMIXAOJD-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441020 717740431 /nfs/dbraw/zinc/74/04/31/717740431.db2.gz XDHNFDGQIJFWEU-QUCCMNQESA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982117 717766084 /nfs/dbraw/zinc/76/60/84/717766084.db2.gz NSKMHVZUBNHELC-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980144961 717793634 /nfs/dbraw/zinc/79/36/34/717793634.db2.gz RWCPYZAVPUVURA-BZSNNMDCSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154025 717810471 /nfs/dbraw/zinc/81/04/71/717810471.db2.gz FUUNGCRUXCVEQT-SZMVWBNQSA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166816 717831306 /nfs/dbraw/zinc/83/13/06/717831306.db2.gz JLZIEHNWEAXFCV-GBESFXJTSA-N 2 0 347.547 2.901 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304759360 724475494 /nfs/dbraw/zinc/47/54/94/724475494.db2.gz RAQPAYFKZXFPKV-FUHWJXTLSA-N 3 0 345.535 2.504 20 30 EFEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652600 718061679 /nfs/dbraw/zinc/06/16/79/718061679.db2.gz QQPAIJNMNUOGLW-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000981091594 718114752 /nfs/dbraw/zinc/11/47/52/718114752.db2.gz OQXWAASZKOMZTO-IRXDYDNUSA-N 2 0 326.444 2.849 20 30 EFEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024752167 718138058 /nfs/dbraw/zinc/13/80/58/718138058.db2.gz QGHPZPYYEYVFKF-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169115 718162918 /nfs/dbraw/zinc/16/29/18/718162918.db2.gz OTFZOJVDLZMNFT-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817903 718178921 /nfs/dbraw/zinc/17/89/21/718178921.db2.gz ARXPWQINSOUEKW-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231938 718446921 /nfs/dbraw/zinc/44/69/21/718446921.db2.gz JCMBICRTZIACKO-RTBURBONSA-N 2 0 345.531 2.730 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231935 718446962 /nfs/dbraw/zinc/44/69/62/718446962.db2.gz JCMBICRTZIACKO-OALUTQOASA-N 2 0 345.531 2.730 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240037 718459659 /nfs/dbraw/zinc/45/96/59/718459659.db2.gz KMVCAMHOVQNWRR-ROUUACIJSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240352 718460027 /nfs/dbraw/zinc/46/00/27/718460027.db2.gz NPZRXTNMXRAGBX-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240494 718460217 /nfs/dbraw/zinc/46/02/17/718460217.db2.gz PGAYXQJBZTXNAW-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240495 718460344 /nfs/dbraw/zinc/46/03/44/718460344.db2.gz PGAYXQJBZTXNAW-QZTJIDSGSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244562 718463295 /nfs/dbraw/zinc/46/32/95/718463295.db2.gz WIVMYQMFJBECCL-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253551 718479399 /nfs/dbraw/zinc/47/93/99/718479399.db2.gz WABYMQVSFIUSMD-ZWKOTPCHSA-N 2 0 344.503 2.774 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267297 718487452 /nfs/dbraw/zinc/48/74/52/718487452.db2.gz OBMNWTHOQGXQIC-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267298 718487648 /nfs/dbraw/zinc/48/76/48/718487648.db2.gz OBMNWTHOQGXQIC-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279946 718518324 /nfs/dbraw/zinc/51/83/24/718518324.db2.gz JHCCDPPCLLZMLO-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288915 718526393 /nfs/dbraw/zinc/52/63/93/718526393.db2.gz MQGPCKMQWUQHMN-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289762 718529878 /nfs/dbraw/zinc/52/98/78/718529878.db2.gz SBUDQHXDJVBNFX-RBUKOAKNSA-N 2 0 344.503 2.774 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@H+]2CCC)CC1 ZINC001025301869 718540511 /nfs/dbraw/zinc/54/05/11/718540511.db2.gz QHECIZMFLACXOX-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301649 718547246 /nfs/dbraw/zinc/54/72/46/718547246.db2.gz NSGKFBDLMXPJMZ-UXHICEINSA-N 2 0 345.531 2.731 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981296061 718601484 /nfs/dbraw/zinc/60/14/84/718601484.db2.gz DRVVZPAIGVNWMJ-LSDHHAIUSA-N 2 0 339.867 2.724 20 30 EFEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981342087 718641648 /nfs/dbraw/zinc/64/16/48/718641648.db2.gz YYPLQSGTUJDREP-OALUTQOASA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981381900 718670123 /nfs/dbraw/zinc/67/01/23/718670123.db2.gz KBGIHUYOJNEZMP-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985509398 724525601 /nfs/dbraw/zinc/52/56/01/724525601.db2.gz HGGZBCLPJFZKSI-UHFFFAOYSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434623 718712236 /nfs/dbraw/zinc/71/22/36/718712236.db2.gz VYVVZIPLTMVEBJ-SJORKVTESA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981447240 718727227 /nfs/dbraw/zinc/72/72/27/718727227.db2.gz JERUDTMTPYERLU-RBUKOAKNSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028094448 718727659 /nfs/dbraw/zinc/72/76/59/718727659.db2.gz ZVAUIKTUTBUMSA-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420376 718799347 /nfs/dbraw/zinc/79/93/47/718799347.db2.gz AWHMVICDFJDRAN-RDJZCZTQSA-N 2 0 326.444 2.659 20 30 EFEDRP CCc1ccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000305696023 724537396 /nfs/dbraw/zinc/53/73/96/724537396.db2.gz RYBDHPVNNYXNOG-UHFFFAOYSA-N 2 0 341.459 2.511 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460431 718913169 /nfs/dbraw/zinc/91/31/69/718913169.db2.gz IAISRANFXFQURG-HOCLYGCPSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766852 719014621 /nfs/dbraw/zinc/01/46/21/719014621.db2.gz ARQLHWUZGCQPEF-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560042 719131018 /nfs/dbraw/zinc/13/10/18/719131018.db2.gz ZKBSQEKQVJLNBQ-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590767 719176380 /nfs/dbraw/zinc/17/63/80/719176380.db2.gz RJIZKPOQINORRR-FXAWDEMLSA-N 2 0 347.547 2.901 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624064 719242424 /nfs/dbraw/zinc/24/24/24/719242424.db2.gz AXUSACMIRKLBNW-YLJYHZDGSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629316 719253577 /nfs/dbraw/zinc/25/35/77/719253577.db2.gz FSOYLICFVARAQH-MSOLQXFVSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631000 719258821 /nfs/dbraw/zinc/25/88/21/719258821.db2.gz YCRLWTGKXMZMBU-IAGOWNOFSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052764 719508104 /nfs/dbraw/zinc/50/81/04/719508104.db2.gz ZJEQAHCHZWWVMU-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982100091 719555476 /nfs/dbraw/zinc/55/54/76/719555476.db2.gz TZCQZFHZSWAGTM-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107262 719566113 /nfs/dbraw/zinc/56/61/13/719566113.db2.gz GOLOHQVWINSSML-UHFFFAOYSA-N 2 0 345.531 2.609 20 30 EFEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110621 719569363 /nfs/dbraw/zinc/56/93/63/719569363.db2.gz VWGUQMBURIEEMM-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110806 719569510 /nfs/dbraw/zinc/56/95/10/719569510.db2.gz ZVBTULUAZMBUKY-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116798 719574139 /nfs/dbraw/zinc/57/41/39/719574139.db2.gz SUZNPKVPPJZIKG-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162325 719606653 /nfs/dbraw/zinc/60/66/53/719606653.db2.gz OHHRNGUIKHOJLQ-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163731 719608535 /nfs/dbraw/zinc/60/85/35/719608535.db2.gz QQHYJQUCBXIBFO-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982160446 719618524 /nfs/dbraw/zinc/61/85/24/719618524.db2.gz YPEDULMTRMFGAM-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292488 719823065 /nfs/dbraw/zinc/82/30/65/719823065.db2.gz LTEOXFNFOJDHOG-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300096 719849664 /nfs/dbraw/zinc/84/96/64/719849664.db2.gz SEAHEZNZOCEQGU-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306479 719875468 /nfs/dbraw/zinc/87/54/68/719875468.db2.gz RYYMAVJFJPIIGN-JYAXBFRTSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982307873 719880911 /nfs/dbraw/zinc/88/09/11/719880911.db2.gz DMRRHTXUMHQGOQ-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985569476 724627611 /nfs/dbraw/zinc/62/76/11/724627611.db2.gz ZHGFTEIZHUMDBM-UHFFFAOYSA-N 2 0 327.900 2.536 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@]2(C)C1 ZINC000982319988 719901937 /nfs/dbraw/zinc/90/19/37/719901937.db2.gz OTBYRWUZNOWNAW-BGYRXZFFSA-N 2 0 338.455 2.613 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400256 720011787 /nfs/dbraw/zinc/01/17/87/720011787.db2.gz GYUBVOFAFITWNR-NRSPTQNISA-N 2 0 345.531 2.607 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000894057666 720255951 /nfs/dbraw/zinc/25/59/51/720255951.db2.gz IWEVOTYIRRMOOE-UHFFFAOYSA-N 2 0 332.879 2.675 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001026429006 720562429 /nfs/dbraw/zinc/56/24/29/720562429.db2.gz QAFFEBARGHNGGV-RYQLBKOJSA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001026575608 720764273 /nfs/dbraw/zinc/76/42/73/720764273.db2.gz CBFVYNYLRLYPEG-UHFFFAOYSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553116 720819849 /nfs/dbraw/zinc/81/98/49/720819849.db2.gz HYISUQNOBLPRJG-OYRHEFFESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639799 721040227 /nfs/dbraw/zinc/04/02/27/721040227.db2.gz ADRFHVYFSUDCHP-UKAVVXHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725912 721131950 /nfs/dbraw/zinc/13/19/50/721131950.db2.gz QNWBRUDOOHOOTN-IZZBFERCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594165 721232204 /nfs/dbraw/zinc/23/22/04/721232204.db2.gz DBKAJWUWZBTQRK-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)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 ZINC000982831412 721303763 /nfs/dbraw/zinc/30/37/63/721303763.db2.gz KYORPRKPOZKFIV-JYAXBFRTSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862402 721484054 /nfs/dbraw/zinc/48/40/54/721484054.db2.gz KAPAYQNZGPADCX-MSOLQXFVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903651 722085201 /nfs/dbraw/zinc/08/52/01/722085201.db2.gz YVMXTWHAAWNUPC-QGZVFWFLSA-N 2 0 338.455 2.890 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029012219 722633641 /nfs/dbraw/zinc/63/36/41/722633641.db2.gz IWTIAVAQBNWGFY-INIZCTEOSA-N 2 0 333.476 2.749 20 30 EFEDRP COCCC[NH+]1CCC(NCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000237200819 723252825 /nfs/dbraw/zinc/25/28/25/723252825.db2.gz DETUOZPADHMJJZ-MRXNPFEDSA-N 2 0 331.460 2.568 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000262492739 724160556 /nfs/dbraw/zinc/16/05/56/724160556.db2.gz JNLHHGIGPUAOHK-INMHGKMJSA-N 2 0 330.476 2.677 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985431912 724340438 /nfs/dbraw/zinc/34/04/38/724340438.db2.gz ANPRHANGCJHBGK-UHFFFAOYSA-N 2 0 341.927 2.926 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435099 724344630 /nfs/dbraw/zinc/34/46/30/724344630.db2.gz FPYKGTOISFMVPH-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000985435103 724344726 /nfs/dbraw/zinc/34/47/26/724344726.db2.gz FPYKGTOISFMVPH-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276808 725666269 /nfs/dbraw/zinc/66/62/69/725666269.db2.gz BGKAWJXVNXZPQN-ICSRJNTNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040728069 725733795 /nfs/dbraw/zinc/73/37/95/725733795.db2.gz ZGMDWLLITFYHGI-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364471 725747213 /nfs/dbraw/zinc/74/72/13/725747213.db2.gz ARXOZBQOWKVVAM-AZUAARDMSA-N 2 0 333.520 2.796 20 30 EFEDRP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000089072770 725772977 /nfs/dbraw/zinc/77/29/77/725772977.db2.gz SUFINVYOGIAETN-INIZCTEOSA-N 2 0 349.548 2.643 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992404767 725781073 /nfs/dbraw/zinc/78/10/73/725781073.db2.gz MMVCXWKBNJYLGX-CTNGQTDRSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057801 726119918 /nfs/dbraw/zinc/11/99/18/726119918.db2.gz ZGJUYXBXWHTDCH-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000992724440 726137712 /nfs/dbraw/zinc/13/77/12/726137712.db2.gz CQWGOPBUMHXIHI-GUDVDZBRSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000992770784 726199318 /nfs/dbraw/zinc/19/93/18/726199318.db2.gz MRPXGFPCVWAKKF-AYOQOUSVSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC000992855121 726306488 /nfs/dbraw/zinc/30/64/88/726306488.db2.gz UOLFZJDYYUSYJY-SLFFLAALSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC000992855125 726306513 /nfs/dbraw/zinc/30/65/13/726306513.db2.gz UOLFZJDYYUSYJY-VAMGGRTRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC000992858451 726308331 /nfs/dbraw/zinc/30/83/31/726308331.db2.gz ZTLMCVZUVLQPSS-IPMKNSEASA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993357992 727160565 /nfs/dbraw/zinc/16/05/65/727160565.db2.gz YBTFUVJLRSGJGJ-WBVHZDCISA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[NH+]1CCCC1 ZINC000732736838 727212412 /nfs/dbraw/zinc/21/24/12/727212412.db2.gz CAGHKTQVERIWCZ-UHFFFAOYSA-N 2 0 349.548 2.680 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535371 727299940 /nfs/dbraw/zinc/29/99/40/727299940.db2.gz JKSXWGBMPPOLIQ-QAPCUYQASA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630184 727348495 /nfs/dbraw/zinc/34/84/95/727348495.db2.gz KLNDHFGPJHOZAJ-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994203258 727622488 /nfs/dbraw/zinc/62/24/88/727622488.db2.gz KSLOOBPBRXTSSP-VQIMIIECSA-N 2 0 333.520 2.654 20 30 EFEDRP CSCCC[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912509284 727719548 /nfs/dbraw/zinc/71/95/48/727719548.db2.gz ZZZKHGZVIVMQER-HNNXBMFYSA-N 2 0 328.570 2.804 20 30 EFEDRP CSCCC[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912509285 727719619 /nfs/dbraw/zinc/71/96/19/727719619.db2.gz ZZZKHGZVIVMQER-OAHLLOKOSA-N 2 0 328.570 2.804 20 30 EFEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CCCSC)C1 ZINC000912508852 727719702 /nfs/dbraw/zinc/71/97/02/727719702.db2.gz RSOFUHJFHBROBZ-OAHLLOKOSA-N 2 0 328.570 2.805 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489043 727769905 /nfs/dbraw/zinc/76/99/05/727769905.db2.gz SGZJOCOYTDCHIQ-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489039 727769916 /nfs/dbraw/zinc/76/99/16/727769916.db2.gz SGZJOCOYTDCHIQ-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098902 728300230 /nfs/dbraw/zinc/30/02/30/728300230.db2.gz CNPZIEKGXFQLCO-GOEBONIOSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205685 728366381 /nfs/dbraw/zinc/36/63/81/728366381.db2.gz VQKHLFUXMBQXIM-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000948898633 728639397 /nfs/dbraw/zinc/63/93/97/728639397.db2.gz KMVDHTJTYDULMO-UXHICEINSA-N 2 0 341.499 2.762 20 30 EFEDRP C=CCNC(=O)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000180032512 729670805 /nfs/dbraw/zinc/67/08/05/729670805.db2.gz SIQWNZTUBOXOCN-MRXNPFEDSA-N 2 0 345.487 2.634 20 30 EFEDRP C#CC[N@@H+](CCCCCC[NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001574667475 1088046710 /nfs/dbraw/zinc/04/67/10/1088046710.db2.gz RHLQFVZVDJLHAW-UHFFFAOYSA-N 2 0 337.508 2.840 20 30 EFEDRP C#CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001574667683 1088047624 /nfs/dbraw/zinc/04/76/24/1088047624.db2.gz UYYFBSIWABGLFP-UHFFFAOYSA-N 2 0 337.508 2.759 20 30 EFEDRP C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC001574735987 1088062298 /nfs/dbraw/zinc/06/22/98/1088062298.db2.gz SOCWIUKQQMOMOA-GFCCVEGCSA-N 2 0 325.250 2.678 20 30 EFEDRP C=CC[C@@]1(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888355 1088139073 /nfs/dbraw/zinc/13/90/73/1088139073.db2.gz COWVGBLMFYYSKI-CTNGQTDRSA-N 2 0 341.499 2.808 20 30 EFEDRP COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC001579032950 1090501722 /nfs/dbraw/zinc/50/17/22/1090501722.db2.gz NIJZEUONXMMFBW-UHFFFAOYSA-N 2 0 335.451 2.853 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961103 1090733408 /nfs/dbraw/zinc/73/34/08/1090733408.db2.gz AWMHRCKTUFZWME-RTBURBONSA-N 2 0 349.482 2.780 20 30 EFEDRP Cn1cc(C[N@@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961667 1090733864 /nfs/dbraw/zinc/73/38/64/1090733864.db2.gz PRMSDQGMKNGCCS-CTNGQTDRSA-N 2 0 349.482 2.910 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC001580066164 1090760991 /nfs/dbraw/zinc/76/09/91/1090760991.db2.gz DDTZLBWUSWKKQS-HNNXBMFYSA-N 2 0 335.398 2.981 20 30 EFEDRP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580078384 1090765730 /nfs/dbraw/zinc/76/57/30/1090765730.db2.gz WMFPRMDCEOOFAA-HZPDHXFCSA-N 2 0 328.416 2.678 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448072 1092755866 /nfs/dbraw/zinc/75/58/66/1092755866.db2.gz NCWKKLDOJILZKH-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599415 1093005696 /nfs/dbraw/zinc/00/56/96/1093005696.db2.gz GUTZSCASEMLFJV-UHFFFAOYSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454286 1093047974 /nfs/dbraw/zinc/04/79/74/1093047974.db2.gz PKSXZBCXMSQFNB-WSTZPKSXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458441 1093229958 /nfs/dbraw/zinc/22/99/58/1093229958.db2.gz GBYUWCPAAYMGJH-MOPGFXCFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461668 1093326798 /nfs/dbraw/zinc/32/67/98/1093326798.db2.gz NUXVQSRKUURVMA-RBUKOAKNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595670 1094387908 /nfs/dbraw/zinc/38/79/08/1094387908.db2.gz XXBJPCSDEFKHMV-KZNAEPCWSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001112528518 1094647694 /nfs/dbraw/zinc/64/76/94/1094647694.db2.gz GFSBKTGXUOIZDL-NSHGMRRFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001112528517 1094647751 /nfs/dbraw/zinc/64/77/51/1094647751.db2.gz GFSBKTGXUOIZDL-BJLQDIEVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303205 1095160475 /nfs/dbraw/zinc/16/04/75/1095160475.db2.gz HYESMLRGRHDTAK-NEWSRXKRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304259 1095170076 /nfs/dbraw/zinc/17/00/76/1095170076.db2.gz ZQWDIMXZGRAADC-QRQLOZEOSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317681 1095318742 /nfs/dbraw/zinc/31/87/42/1095318742.db2.gz LHKCFQADBHQOHJ-QRQLOZEOSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752620 1095650085 /nfs/dbraw/zinc/65/00/85/1095650085.db2.gz IXIDFWZCTBNQGL-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753676 1095677924 /nfs/dbraw/zinc/67/79/24/1095677924.db2.gz NLJUQDQSVJPQPL-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703133 1095939620 /nfs/dbraw/zinc/93/96/20/1095939620.db2.gz WLZQIHKEKCGDBK-ZWKOTPCHSA-N 2 0 349.906 2.665 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104572993 1096117455 /nfs/dbraw/zinc/11/74/55/1096117455.db2.gz CIWABXGNHKNJAA-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481956638 1096994607 /nfs/dbraw/zinc/99/46/07/1096994607.db2.gz BAWCJTQLHPOMRT-KSSFIOAISA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001481960146 1097009346 /nfs/dbraw/zinc/00/93/46/1097009346.db2.gz BKQIUYLGWCSQBM-WMLDXEAASA-N 2 0 329.916 2.735 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001104796186 1098603620 /nfs/dbraw/zinc/60/36/20/1098603620.db2.gz MOTJPQFZXMGHKA-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001104896794 1098934731 /nfs/dbraw/zinc/93/47/31/1098934731.db2.gz PFOBNJNKUVJWTR-WOJBJXKFSA-N 2 0 349.563 2.986 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417449 1099220710 /nfs/dbraw/zinc/22/07/10/1099220710.db2.gz AIXOKZUVLIHFMH-SJORKVTESA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417448 1099222196 /nfs/dbraw/zinc/22/21/96/1099222196.db2.gz AIXOKZUVLIHFMH-IRXDYDNUSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211667102 1099374502 /nfs/dbraw/zinc/37/45/02/1099374502.db2.gz WGJGJJXRWAIOMI-XUVXKRRUSA-N 2 0 343.515 2.733 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742228 1099461282 /nfs/dbraw/zinc/46/12/82/1099461282.db2.gz HXZOSCSYDMLFAE-ROUUACIJSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062292 1099525045 /nfs/dbraw/zinc/52/50/45/1099525045.db2.gz KXMBQJPPQUGDLQ-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001105095384 1099677489 /nfs/dbraw/zinc/67/74/89/1099677489.db2.gz MBAKVWUXWCCAKB-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396173 1100561759 /nfs/dbraw/zinc/56/17/59/1100561759.db2.gz IMMWKJKGOQBNHI-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105396763 1100593704 /nfs/dbraw/zinc/59/37/04/1100593704.db2.gz VHLPGIYSGIFCBX-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634390 1100617149 /nfs/dbraw/zinc/61/71/49/1100617149.db2.gz CEPWUWXGMYYEEJ-ZWKOTPCHSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642275 1100621118 /nfs/dbraw/zinc/62/11/18/1100621118.db2.gz FMSWXVBGXGPJJM-ZWKOTPCHSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696866 1100676545 /nfs/dbraw/zinc/67/65/45/1100676545.db2.gz QBTWLBNUXMNWQN-YESZJQIVSA-N 2 0 341.927 2.830 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699121 1100678490 /nfs/dbraw/zinc/67/84/90/1100678490.db2.gz CIDHUSCBNYFMBG-XUVXKRRUSA-N 2 0 345.531 2.776 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728238 1100705837 /nfs/dbraw/zinc/70/58/37/1100705837.db2.gz LYODORYYHZPQFC-RBUKOAKNSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839482 1100854139 /nfs/dbraw/zinc/85/41/39/1100854139.db2.gz DHJLFUTVCMHNDF-RBUKOAKNSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087986246 1101149763 /nfs/dbraw/zinc/14/97/63/1101149763.db2.gz CETYSECRUQGBLN-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023076 1101209742 /nfs/dbraw/zinc/20/97/42/1101209742.db2.gz MWXDNTKLIQORNV-AABGKKOBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]2C1 ZINC001088077288 1101381588 /nfs/dbraw/zinc/38/15/88/1101381588.db2.gz SJVQXTJXKWKBKB-AABGKKOBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391033 1101414946 /nfs/dbraw/zinc/41/49/46/1101414946.db2.gz AUXGMKRDULWRRD-QGZVFWFLSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104311160 1101573115 /nfs/dbraw/zinc/57/31/15/1101573115.db2.gz VCLINRMYZITWQZ-OIISXLGYSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166706 1101728604 /nfs/dbraw/zinc/72/86/04/1101728604.db2.gz OLGYMMAOVHQXNK-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000840830594 1101764981 /nfs/dbraw/zinc/76/49/81/1101764981.db2.gz HTINKNQELLWVAP-LJQANCHMSA-N 2 0 337.552 2.898 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001655431576 1101823786 /nfs/dbraw/zinc/82/37/86/1101823786.db2.gz RMUQVVJXRKHGDF-VQTJNVASSA-N 2 0 332.407 2.819 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001655431575 1101824124 /nfs/dbraw/zinc/82/41/24/1101824124.db2.gz RMUQVVJXRKHGDF-UXHICEINSA-N 2 0 332.407 2.819 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112181881 1101963580 /nfs/dbraw/zinc/96/35/80/1101963580.db2.gz BQNCKBMDZASFNY-RRFJBIMHSA-N 2 0 349.441 2.662 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179894 1102004774 /nfs/dbraw/zinc/00/47/74/1102004774.db2.gz UWWDRXNGASIIMJ-OAHLLOKOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104379067 1102503220 /nfs/dbraw/zinc/50/32/20/1102503220.db2.gz WFVHEIYLCRKZAC-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291321 1102853498 /nfs/dbraw/zinc/85/34/98/1102853498.db2.gz MCYTUIDMEWQFSH-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327671 1102934488 /nfs/dbraw/zinc/93/44/88/1102934488.db2.gz TYQSQKGKUJUCEK-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327670 1102934733 /nfs/dbraw/zinc/93/47/33/1102934733.db2.gz TYQSQKGKUJUCEK-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336349 1102995969 /nfs/dbraw/zinc/99/59/69/1102995969.db2.gz BNRBEAOWLVZWRN-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001088359235 1103185256 /nfs/dbraw/zinc/18/52/56/1103185256.db2.gz UUMSPZPTMCGQDI-INIZCTEOSA-N 2 0 341.927 2.974 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367237 1103195056 /nfs/dbraw/zinc/19/50/56/1103195056.db2.gz FRRATEZCBRFKIA-AZUAARDMSA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001088370040 1103205549 /nfs/dbraw/zinc/20/55/49/1103205549.db2.gz YSPZSPGUFPMJOF-QGZVFWFLSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)C[NH+](C[C@H](CC)CCCC)C2 ZINC001271954115 1103239563 /nfs/dbraw/zinc/23/95/63/1103239563.db2.gz QJRWAGHWTQZFSN-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001088404777 1103459599 /nfs/dbraw/zinc/45/95/99/1103459599.db2.gz GHHJXNPJYBSDRQ-KRWDZBQOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001088411106 1103478430 /nfs/dbraw/zinc/47/84/30/1103478430.db2.gz YXSGSMZBINQXDV-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001088411444 1103483904 /nfs/dbraw/zinc/48/39/04/1103483904.db2.gz HDSRYQYEQQBTCH-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105436852 1104047931 /nfs/dbraw/zinc/04/79/31/1104047931.db2.gz KURVNOMAEBPBOS-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001105447373 1104214237 /nfs/dbraw/zinc/21/42/37/1104214237.db2.gz DJVYJNDEBSEWQD-TYKWCNGQSA-N 2 0 343.515 2.709 20 30 EFEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001101551311 1104233514 /nfs/dbraw/zinc/23/35/14/1104233514.db2.gz DQMSZUDIINWNQL-UHFFFAOYSA-N 2 0 335.536 2.594 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439961 1104594764 /nfs/dbraw/zinc/59/47/64/1104594764.db2.gz KCAQEEWYXCWKRQ-SJORKVTESA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989074040 1105475705 /nfs/dbraw/zinc/47/57/05/1105475705.db2.gz IUGPSYOPJCPUDE-JSGCOSHPSA-N 2 0 332.835 2.588 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542498 1105900797 /nfs/dbraw/zinc/90/07/97/1105900797.db2.gz WSHAQEVSSFYOPU-GOSISDBHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105559153 1105936654 /nfs/dbraw/zinc/93/66/54/1105936654.db2.gz LGIFODXKYNNNNQ-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574835 1105960722 /nfs/dbraw/zinc/96/07/22/1105960722.db2.gz JNWZRSCGOJQPOO-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP C[NH+](C)Cc1ccc(C(N)=NOCC[N@H+](C)Cc2ccccc2)cc1 ZINC000842036586 1106253899 /nfs/dbraw/zinc/25/38/99/1106253899.db2.gz MZMVOSJQGCYKJJ-UHFFFAOYSA-N 2 0 340.471 2.517 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738543 1106616240 /nfs/dbraw/zinc/61/62/40/1106616240.db2.gz FLOLKCUSAAWILK-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922668 1107018457 /nfs/dbraw/zinc/01/84/57/1107018457.db2.gz XLNMVWNAJDQZRI-PBHICJAKSA-N 2 0 335.879 2.693 20 30 EFEDRP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000089072699 1107065884 /nfs/dbraw/zinc/06/58/84/1107065884.db2.gz IRCKVNPHJDVCOZ-INIZCTEOSA-N 2 0 349.548 2.643 20 30 EFEDRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CC#Cc2ccccc2)cc1 ZINC001168434667 1107903547 /nfs/dbraw/zinc/90/35/47/1107903547.db2.gz RMYWUSVJSLRDLJ-UHFFFAOYSA-N 2 0 349.478 2.509 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133500 1108542695 /nfs/dbraw/zinc/54/26/95/1108542695.db2.gz JZTDAKXIKAWCPF-GUDVDZBRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106195791 1111087864 /nfs/dbraw/zinc/08/78/64/1111087864.db2.gz KAMOSJOYSCIYBU-GDBMZVCRSA-N 2 0 335.517 2.684 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249166 1111220701 /nfs/dbraw/zinc/22/07/01/1111220701.db2.gz BEDVZDMOURZXHJ-QRQLOZEOSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357937 1111455407 /nfs/dbraw/zinc/45/54/07/1111455407.db2.gz QIIWREDVGRJVJS-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106477366 1111568004 /nfs/dbraw/zinc/56/80/04/1111568004.db2.gz KBGSPLJNYOSJEO-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666755 1111708829 /nfs/dbraw/zinc/70/88/29/1111708829.db2.gz TVTKBXQFYRRDJW-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860045 1111915412 /nfs/dbraw/zinc/91/54/12/1111915412.db2.gz GKYDOBBBZVOWQT-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106881998 1111950090 /nfs/dbraw/zinc/95/00/90/1111950090.db2.gz OCVOUOHWCFYWBE-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390435 1112056594 /nfs/dbraw/zinc/05/65/94/1112056594.db2.gz FAJKGDDGVGOZAG-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402426 1112072541 /nfs/dbraw/zinc/07/25/41/1112072541.db2.gz GRPDNMQYGIAAMR-MSOLQXFVSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406192 1112076449 /nfs/dbraw/zinc/07/64/49/1112076449.db2.gz IJNQEOKOORLXAM-RTBURBONSA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406190 1112077013 /nfs/dbraw/zinc/07/70/13/1112077013.db2.gz IJNQEOKOORLXAM-OALUTQOASA-N 2 0 347.547 2.879 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427153 1112117455 /nfs/dbraw/zinc/11/74/55/1112117455.db2.gz OLQOHMVZCOXYJD-RTBURBONSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428501 1112119921 /nfs/dbraw/zinc/11/99/21/1112119921.db2.gz YPPXYSBLCOOIMM-OALUTQOASA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441635 1112150195 /nfs/dbraw/zinc/15/01/95/1112150195.db2.gz JGYGVOYCCJMMQN-KRWDZBQOSA-N 2 0 338.455 2.578 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473515 1112200354 /nfs/dbraw/zinc/20/03/54/1112200354.db2.gz YKJYELFROZYSDK-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486786 1112218229 /nfs/dbraw/zinc/21/82/29/1112218229.db2.gz CVSMGVZNXMNTQG-KRWDZBQOSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089486788 1112218462 /nfs/dbraw/zinc/21/84/62/1112218462.db2.gz CVSMGVZNXMNTQG-QGZVFWFLSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488829 1112221515 /nfs/dbraw/zinc/22/15/15/1112221515.db2.gz YMVXYJIEPAWLTH-QGZVFWFLSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538546 1112284566 /nfs/dbraw/zinc/28/45/66/1112284566.db2.gz WMGXGZIIQRLNDX-LJQANCHMSA-N 2 0 347.547 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)CC(C)(C)C2)CC1 ZINC001089560767 1112309580 /nfs/dbraw/zinc/30/95/80/1112309580.db2.gz GWZKDCXEAORKGX-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673640 1112349587 /nfs/dbraw/zinc/34/95/87/1112349587.db2.gz RHBYNMKLKPLGMV-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641261 1112432444 /nfs/dbraw/zinc/43/24/44/1112432444.db2.gz KLBYCDNZANQINE-MOPGFXCFSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089640286 1112433118 /nfs/dbraw/zinc/43/31/18/1112433118.db2.gz DWBZAGYMNWECFJ-ROUUACIJSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089640285 1112433268 /nfs/dbraw/zinc/43/32/68/1112433268.db2.gz DWBZAGYMNWECFJ-QZTJIDSGSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718052 1112935036 /nfs/dbraw/zinc/93/50/36/1112935036.db2.gz JSIHDKOXGAGOOS-GOSISDBHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001089727105 1112965738 /nfs/dbraw/zinc/96/57/38/1112965738.db2.gz YQJZFTLINLSECN-INIZCTEOSA-N 2 0 344.503 2.944 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820454 1117877756 /nfs/dbraw/zinc/87/77/56/1117877756.db2.gz MRAMZYJSNPGDDG-OKYOBFRVSA-N 2 0 345.531 2.606 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364819 1118729573 /nfs/dbraw/zinc/72/95/73/1118729573.db2.gz JTBPLUMVHVRQPM-DLBZAZTESA-N 2 0 341.927 2.925 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514429 1119529680 /nfs/dbraw/zinc/52/96/80/1119529680.db2.gz CEXPQNGMBFOXIK-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107028512 1119817374 /nfs/dbraw/zinc/81/73/74/1119817374.db2.gz BJUYCPKZELGUHB-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107034315 1119933441 /nfs/dbraw/zinc/93/34/41/1119933441.db2.gz VDPPORLJOYVJNY-SJLPKXTDSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037394 1120033967 /nfs/dbraw/zinc/03/39/67/1120033967.db2.gz CHQVNKZNBMOEMU-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001107066671 1120242356 /nfs/dbraw/zinc/24/23/56/1120242356.db2.gz GCYDJHYPSDBFKL-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028595 1120518611 /nfs/dbraw/zinc/51/86/11/1120518611.db2.gz KAEHQECSCMLUQU-RDTXWAMCSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029126 1120520362 /nfs/dbraw/zinc/52/03/62/1120520362.db2.gz QQMDVHAQGOUGQA-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C#N)cc1 ZINC000173928387 231072683 /nfs/dbraw/zinc/07/26/83/231072683.db2.gz KBBLKRHXCYZEEC-INIZCTEOSA-N 2 0 335.455 2.556 20 30 EFEDRP N#Cc1ccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173945598 231077688 /nfs/dbraw/zinc/07/76/88/231077688.db2.gz PHKBJVKKDOHDBG-UHFFFAOYSA-N 2 0 343.471 2.514 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000181480872 234200384 /nfs/dbraw/zinc/20/03/84/234200384.db2.gz LZTIHWSHTRXVNC-IBGZPJMESA-N 2 0 338.499 2.597 20 30 EFEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000069451247 215420443 /nfs/dbraw/zinc/42/04/43/215420443.db2.gz LAENBUABNKSUGE-IRXDYDNUSA-N 2 0 327.472 2.879 20 30 EFEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857889 216317940 /nfs/dbraw/zinc/31/79/40/216317940.db2.gz DGONWCGPHNDOJR-AWEZNQCLSA-N 2 0 348.878 2.814 20 30 EFEDRP [NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccccn1 ZINC000170911513 239135925 /nfs/dbraw/zinc/13/59/25/239135925.db2.gz RMVPBXOZXPSJCB-UHFFFAOYSA-N 2 0 329.473 2.782 20 30 EFEDRP C[C@H]1C[NH+](CC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000191984157 240016470 /nfs/dbraw/zinc/01/64/70/240016470.db2.gz ZCPRYPXKVBRSTM-OALUTQOASA-N 2 0 326.484 2.859 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000192706019 240059954 /nfs/dbraw/zinc/05/99/54/240059954.db2.gz XOWJEFJPZJQWGB-UXHICEINSA-N 2 0 326.488 2.606 20 30 EFEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277269 240092213 /nfs/dbraw/zinc/09/22/13/240092213.db2.gz DAAGJEBNWNBPPJ-PWIZWCRZSA-N 2 0 327.472 2.815 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCSC(C)(C)C1 ZINC000261747426 240321903 /nfs/dbraw/zinc/32/19/03/240321903.db2.gz BWXYMZSJEYQYLZ-HNNXBMFYSA-N 2 0 326.554 2.510 20 30 EFEDRP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261976204 240335919 /nfs/dbraw/zinc/33/59/19/240335919.db2.gz NSABXCQQJKXLKW-SJKOYZFVSA-N 2 0 336.430 2.503 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)NC[C@@]1(C)CCCS1 ZINC000262002706 240339456 /nfs/dbraw/zinc/33/94/56/240339456.db2.gz UUQBKFUHQBPZTC-DOTOQJQBSA-N 2 0 326.554 2.558 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262231439 240344852 /nfs/dbraw/zinc/34/48/52/240344852.db2.gz MHRVCXGJDAENLC-XLAORIBOSA-N 2 0 332.536 2.995 20 30 EFEDRP [NH2+]=C(NC[C@H]1CCCSC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262293487 240347409 /nfs/dbraw/zinc/34/74/09/240347409.db2.gz HWDRNXIZBOCDGD-QGZVFWFLSA-N 2 0 346.544 2.699 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000298880776 241162856 /nfs/dbraw/zinc/16/28/56/241162856.db2.gz NXVBLWQDZQILEI-DLBZAZTESA-N 2 0 329.488 2.841 20 30 EFEDRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000329200628 241323472 /nfs/dbraw/zinc/32/34/72/241323472.db2.gz VKIRVRZCIHCILX-KCXAZCMYSA-N 2 0 344.463 2.793 20 30 EFEDRP N#CCc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000343601515 241805380 /nfs/dbraw/zinc/80/53/80/241805380.db2.gz GRHXAHRVKSCRHX-UHFFFAOYSA-N 2 0 327.472 2.829 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000363785345 242282375 /nfs/dbraw/zinc/28/23/75/242282375.db2.gz OVUDKUNMKSEZJX-MJGOQNOKSA-N 2 0 341.499 2.518 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366718934 242362232 /nfs/dbraw/zinc/36/22/32/242362232.db2.gz DEBHNRBUNGZUCY-IBGZPJMESA-N 2 0 348.535 2.733 20 30 EFEDRP N#CCCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367143602 242375701 /nfs/dbraw/zinc/37/57/01/242375701.db2.gz KAVCCESEYXTQPO-FQEVSTJZSA-N 2 0 326.488 2.572 20 30 EFEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000442893946 250137667 /nfs/dbraw/zinc/13/76/67/250137667.db2.gz HCXFDERHNWPKPM-GOSISDBHSA-N 2 0 340.515 2.969 20 30 EFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896882 250138462 /nfs/dbraw/zinc/13/84/62/250138462.db2.gz LQCHKXDHUROJKD-FUHIMQAGSA-N 2 0 326.488 2.577 20 30 EFEDRP Cc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000443980696 250243821 /nfs/dbraw/zinc/24/38/21/250243821.db2.gz RUFIKDGRWXRPBH-UHFFFAOYSA-N 2 0 349.482 2.564 20 30 EFEDRP Cc1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000443981829 250243908 /nfs/dbraw/zinc/24/39/08/250243908.db2.gz SIWOBUIRHTXQDI-UHFFFAOYSA-N 2 0 326.488 2.515 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142478 296391759 /nfs/dbraw/zinc/39/17/59/296391759.db2.gz YHJQCOMXABQZTJ-VQIMIIECSA-N 2 0 342.487 2.556 20 30 EFEDRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143983 145378134 /nfs/dbraw/zinc/37/81/34/145378134.db2.gz SKLOJIIALNHMMT-DYESRHJHSA-N 2 0 335.451 2.846 20 30 EFEDRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143985 145378161 /nfs/dbraw/zinc/37/81/61/145378161.db2.gz SKLOJIIALNHMMT-UTKZUKDTSA-N 2 0 335.451 2.846 20 30 EFEDRP COc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000174277176 533674705 /nfs/dbraw/zinc/67/47/05/533674705.db2.gz PANUALPURRZJJH-UHFFFAOYSA-N 2 0 339.439 2.797 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000364289336 149116782 /nfs/dbraw/zinc/11/67/82/149116782.db2.gz JJAMIYGWJXFCCE-RTWAWAEBSA-N 2 0 338.499 2.739 20 30 EFEDRP N#Cc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1F ZINC000372744180 151055189 /nfs/dbraw/zinc/05/51/89/151055189.db2.gz GLGOFSBBIWQWOX-UHFFFAOYSA-N 2 0 331.435 2.632 20 30 EFEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373253592 151142154 /nfs/dbraw/zinc/14/21/54/151142154.db2.gz AYFXYHBHPZRIPS-SFHVURJKSA-N 2 0 340.515 2.969 20 30 EFEDRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248191 151307902 /nfs/dbraw/zinc/30/79/02/151307902.db2.gz AKSUWCIBYMGSJS-LAUBAEHRSA-N 2 0 334.467 2.996 20 30 EFEDRP C[N@@H+]1CCCC[C@H]1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000374536180 151364857 /nfs/dbraw/zinc/36/48/57/151364857.db2.gz VYPRGIYWAWJYQU-IBGZPJMESA-N 2 0 326.488 2.945 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000423495333 270027983 /nfs/dbraw/zinc/02/79/83/270027983.db2.gz BSVVCKRCXJXYDO-HXUWFJFHSA-N 2 0 326.488 2.630 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271895371 267179582 /nfs/dbraw/zinc/17/95/82/267179582.db2.gz SZTQQLUTAWQWNE-RYGJVYDSSA-N 2 0 327.472 2.977 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852928 268064746 /nfs/dbraw/zinc/06/47/46/268064746.db2.gz IYDHKADTXODADK-NHCUHLMSSA-N 2 0 338.499 2.739 20 30 EFEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343721678 278305659 /nfs/dbraw/zinc/30/56/59/278305659.db2.gz CTTQJVFACLHYNN-DLBZAZTESA-N 2 0 326.488 2.720 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000262492942 279241037 /nfs/dbraw/zinc/24/10/37/279241037.db2.gz JOMCELUAHARSOO-INMHGKMJSA-N 2 0 330.476 2.535 20 30 EFEDRP C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000360841551 279352206 /nfs/dbraw/zinc/35/22/06/279352206.db2.gz SDQVCLJICFPURP-UZLBHIALSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891528 290222027 /nfs/dbraw/zinc/22/20/27/290222027.db2.gz YPIQHAQZUNKZPZ-HLIPFELVSA-N 2 0 326.488 2.577 20 30 EFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375543963 290246050 /nfs/dbraw/zinc/24/60/50/290246050.db2.gz BYJSHJUDQDTWQS-DLBZAZTESA-N 2 0 326.488 2.720 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000424140736 303151547 /nfs/dbraw/zinc/15/15/47/303151547.db2.gz BQHLTMIIKQEAFN-LJQANCHMSA-N 2 0 342.487 2.700 20 30 EFEDRP CN(C)c1ncccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000576764986 320046824 /nfs/dbraw/zinc/04/68/24/320046824.db2.gz DIMBRYKVLBLURD-CYBMUJFWSA-N 2 0 328.441 2.734 20 30 EFEDRP N#Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176942514 473272936 /nfs/dbraw/zinc/27/29/36/473272936.db2.gz MHMHAIVUBRFAJA-UHFFFAOYSA-N 2 0 340.496 2.527 20 30 EFEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)N[C@H]1CCOc2ccccc21 ZINC000083029966 473314592 /nfs/dbraw/zinc/31/45/92/473314592.db2.gz QAEJBZRDKAAZNA-KRWDZBQOSA-N 2 0 330.476 2.681 20 30 EFEDRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000616768906 479973752 /nfs/dbraw/zinc/97/37/52/479973752.db2.gz UTLLAKVHSLJRIT-FQEVSTJZSA-N 2 0 337.471 2.847 20 30 EFEDRP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000616768910 479974421 /nfs/dbraw/zinc/97/44/21/479974421.db2.gz UTLLAKVHSLJRIT-HXUWFJFHSA-N 2 0 337.471 2.847 20 30 EFEDRP C[NH+](C)CCC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000056524137 472332729 /nfs/dbraw/zinc/33/27/29/472332729.db2.gz NFIRHWZAHJXYRV-UHFFFAOYSA-N 2 0 342.487 2.597 20 30 EFEDRP C=C(C)COc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccc1OC ZINC000057963898 472494392 /nfs/dbraw/zinc/49/43/92/472494392.db2.gz ZKXGURFDOLOUPW-UHFFFAOYSA-N 2 0 348.487 2.852 20 30 EFEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000077655220 472576039 /nfs/dbraw/zinc/57/60/39/472576039.db2.gz PWPHBFUMBPLRMZ-UHFFFAOYSA-N 2 0 331.460 2.609 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000104156667 472659863 /nfs/dbraw/zinc/65/98/63/472659863.db2.gz NALULBJSDBWCAO-CQSZACIVSA-N 2 0 334.464 2.695 20 30 EFEDRP N#Cc1ccc(OC2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000090970967 472669713 /nfs/dbraw/zinc/66/97/13/472669713.db2.gz RTZQHOAOWDMVSZ-CXUOOODFSA-N 2 0 340.471 2.860 20 30 EFEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105495571 472756349 /nfs/dbraw/zinc/75/63/49/472756349.db2.gz PNSUJBOGPWOZAL-UHFFFAOYSA-N 2 0 335.451 2.805 20 30 EFEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000047978572 472791526 /nfs/dbraw/zinc/79/15/26/472791526.db2.gz PKIXALSLFLJJSL-UHFFFAOYSA-N 2 0 348.535 2.725 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824201 472812514 /nfs/dbraw/zinc/81/25/14/472812514.db2.gz BXJFNEZFBPEHLO-UHFFFAOYSA-N 2 0 339.483 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000106340820 472842064 /nfs/dbraw/zinc/84/20/64/472842064.db2.gz AYZSONSEUCNPOC-LJQANCHMSA-N 2 0 348.535 2.687 20 30 EFEDRP N#Cc1cccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134860339 472978231 /nfs/dbraw/zinc/97/82/31/472978231.db2.gz SRQVQBDSIVHEMS-XLIONFOSSA-N 2 0 325.456 2.886 20 30 EFEDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000123251964 473116768 /nfs/dbraw/zinc/11/67/68/473116768.db2.gz ASJQSLKYGLUAKU-UHFFFAOYSA-N 2 0 342.487 2.941 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000125605605 473432742 /nfs/dbraw/zinc/43/27/42/473432742.db2.gz ZVPMTLPZNKCMFY-UHFFFAOYSA-N 2 0 336.524 2.543 20 30 EFEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000178583578 473534526 /nfs/dbraw/zinc/53/45/26/473534526.db2.gz KYTCRJVSDXHVKG-CZUORRHYSA-N 2 0 329.473 2.953 20 30 EFEDRP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000191464583 473541744 /nfs/dbraw/zinc/54/17/44/473541744.db2.gz KZJKKUNJBYLOHN-UHFFFAOYSA-N 2 0 331.479 2.677 20 30 EFEDRP COc1cccc(NC(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179738333 473715013 /nfs/dbraw/zinc/71/50/13/473715013.db2.gz QZCRYSGBMCUBEA-UHFFFAOYSA-N 2 0 339.443 2.733 20 30 EFEDRP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049621 473786349 /nfs/dbraw/zinc/78/63/49/473786349.db2.gz MTRMISXCEUCAMV-MRXNPFEDSA-N 2 0 335.455 2.533 20 30 EFEDRP C=C(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1 ZINC000287949796 473807575 /nfs/dbraw/zinc/80/75/75/473807575.db2.gz GRTZFUVGHSDLKL-UHFFFAOYSA-N 2 0 346.519 2.615 20 30 EFEDRP CC(C)[NH+]1CCC(N2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000269631873 473848043 /nfs/dbraw/zinc/84/80/43/473848043.db2.gz HWZRQSIEYWAAAB-UHFFFAOYSA-N 2 0 344.478 2.688 20 30 EFEDRP C#CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000274584087 473883674 /nfs/dbraw/zinc/88/36/74/473883674.db2.gz IFOBEVJNLSSXBP-RTWAWAEBSA-N 2 0 349.478 2.760 20 30 EFEDRP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106935 473950113 /nfs/dbraw/zinc/95/01/13/473950113.db2.gz PVYNGSGROLVFDS-WDEREUQCSA-N 2 0 329.275 2.910 20 30 EFEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCC3)CC2)cc1 ZINC000264106710 473951089 /nfs/dbraw/zinc/95/10/89/473951089.db2.gz PRYGXJDNTJTZTR-UHFFFAOYSA-N 2 0 344.503 2.754 20 30 EFEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000264424788 473985896 /nfs/dbraw/zinc/98/58/96/473985896.db2.gz UYORNHCCNWZZFB-UHFFFAOYSA-N 2 0 327.403 2.928 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)c2cccc(Cn3ccnc3)c2)CC1 ZINC000264494797 474012646 /nfs/dbraw/zinc/01/26/46/474012646.db2.gz OXUVKNBWRQSHEG-UHFFFAOYSA-N 2 0 338.455 2.702 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181492790 474041096 /nfs/dbraw/zinc/04/10/96/474041096.db2.gz FBMXIIATCNACAG-GOSISDBHSA-N 2 0 344.503 2.657 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000188378903 474074810 /nfs/dbraw/zinc/07/48/10/474074810.db2.gz KCJJPTNNXYYUSN-UHFFFAOYSA-N 2 0 327.472 2.812 20 30 EFEDRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271333851 474496311 /nfs/dbraw/zinc/49/63/11/474496311.db2.gz VYOHKHGPTMLTTP-IBGZPJMESA-N 2 0 340.471 2.693 20 30 EFEDRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000266979526 474554790 /nfs/dbraw/zinc/55/47/90/474554790.db2.gz LVNXSXWRBKWFOG-CYBMUJFWSA-N 2 0 340.393 2.594 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000190166038 474558126 /nfs/dbraw/zinc/55/81/26/474558126.db2.gz UBSFBQPZGJMIFN-UHFFFAOYSA-N 2 0 336.524 2.544 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000271509000 474576010 /nfs/dbraw/zinc/57/60/10/474576010.db2.gz RZELUMSTVBXUGZ-FXAWDEMLSA-N 2 0 345.487 2.816 20 30 EFEDRP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000267378206 474666223 /nfs/dbraw/zinc/66/62/23/474666223.db2.gz AIXOAGIZZWFOQV-UHFFFAOYSA-N 2 0 330.476 2.675 20 30 EFEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267824736 474680813 /nfs/dbraw/zinc/68/08/13/474680813.db2.gz AUTAEMXBUPQAIM-MRXNPFEDSA-N 2 0 332.492 2.649 20 30 EFEDRP Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874122 474688644 /nfs/dbraw/zinc/68/86/44/474688644.db2.gz DLFJRXPZQBKRDS-OAQYLSRUSA-N 2 0 349.482 2.876 20 30 EFEDRP Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(-c2ccc(C#N)cc2)n1 ZINC000292874119 474690041 /nfs/dbraw/zinc/69/00/41/474690041.db2.gz DLFJRXPZQBKRDS-NRFANRHFSA-N 2 0 349.482 2.876 20 30 EFEDRP COc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCCCC#N ZINC000344678462 474779378 /nfs/dbraw/zinc/77/93/78/474779378.db2.gz LGAPALUFCZIJHU-WBVHZDCISA-N 2 0 331.460 2.950 20 30 EFEDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278719743 474796034 /nfs/dbraw/zinc/79/60/34/474796034.db2.gz MCVIVNHQUMMKLJ-YLJYHZDGSA-N 2 0 328.504 2.873 20 30 EFEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000339014332 474835318 /nfs/dbraw/zinc/83/53/18/474835318.db2.gz RFFOQTZXAVWEGI-UYAOXDASSA-N 2 0 332.536 2.807 20 30 EFEDRP CC1CC[NH+](CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000268192455 474852763 /nfs/dbraw/zinc/85/27/63/474852763.db2.gz FCSVTYKZLNUHOG-UHFFFAOYSA-N 2 0 340.515 2.798 20 30 EFEDRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278869199 474884529 /nfs/dbraw/zinc/88/45/29/474884529.db2.gz WWBLYWQNRRFBIN-FQEVSTJZSA-N 2 0 349.482 2.946 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000337428298 475007624 /nfs/dbraw/zinc/00/76/24/475007624.db2.gz CUUHAEBSWLQMAH-GBESFXJTSA-N 2 0 348.535 2.611 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000337428305 475008040 /nfs/dbraw/zinc/00/80/40/475008040.db2.gz CUUHAEBSWLQMAH-IPMKNSEASA-N 2 0 348.535 2.611 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460268 475039379 /nfs/dbraw/zinc/03/93/79/475039379.db2.gz ZMMBBRTUSRWPLX-GUDVDZBRSA-N 2 0 348.535 2.611 20 30 EFEDRP C=CCOCC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000293755574 475051920 /nfs/dbraw/zinc/05/19/20/475051920.db2.gz JITHSBNQSCPFHP-INIZCTEOSA-N 2 0 335.467 2.821 20 30 EFEDRP O=C(CN1CCC[C@H](c2ncc3n2CCCC3)C1)NC[C@@H]1CCCO1 ZINC000328659755 475052088 /nfs/dbraw/zinc/05/20/88/475052088.db2.gz UCPLZSBPYNKDJN-RDJZCZTQSA-N 2 0 346.475 2.534 20 30 EFEDRP CCC(=O)N[C@@H]1CCCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329760360 475128358 /nfs/dbraw/zinc/12/83/58/475128358.db2.gz QBRFJGWBNMBTEX-MRXNPFEDSA-N 2 0 327.432 2.907 20 30 EFEDRP CC1(C)CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000330317221 475226697 /nfs/dbraw/zinc/22/66/97/475226697.db2.gz QHWSBFKGMSICHW-UHFFFAOYSA-N 2 0 336.524 2.674 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326917 475233751 /nfs/dbraw/zinc/23/37/51/475233751.db2.gz XKYWBRMJUFHXLM-IEZWGBDMSA-N 2 0 344.478 2.986 20 30 EFEDRP C=CCOCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000348041185 475370509 /nfs/dbraw/zinc/37/05/09/475370509.db2.gz WNUSTDHENLJVIA-UHFFFAOYSA-N 2 0 337.552 2.707 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361344958 475371756 /nfs/dbraw/zinc/37/17/56/475371756.db2.gz HBMBVPJPKBWBAI-RRIFGTCXSA-N 2 0 344.478 2.984 20 30 EFEDRP CC(C)(C#N)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000345715885 475389642 /nfs/dbraw/zinc/38/96/42/475389642.db2.gz SMWCHCNKBZUPTI-UHFFFAOYSA-N 2 0 348.535 2.630 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342110330 475558087 /nfs/dbraw/zinc/55/80/87/475558087.db2.gz SAPHURYFINHFJX-LAQRGFTBSA-N 2 0 347.528 2.710 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000342688424 475627132 /nfs/dbraw/zinc/62/71/32/475627132.db2.gz AWORRAJFCRZBFH-UHFFFAOYSA-N 2 0 341.499 2.609 20 30 EFEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000352810957 475644820 /nfs/dbraw/zinc/64/48/20/475644820.db2.gz QPCVGEJMRMAATK-YLJYHZDGSA-N 2 0 341.499 2.795 20 30 EFEDRP CC(C)(C#N)CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352890891 475663588 /nfs/dbraw/zinc/66/35/88/475663588.db2.gz BLCDHMGRZMDAII-FQEVSTJZSA-N 2 0 340.515 2.818 20 30 EFEDRP CC(C)(C#N)CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352891072 475663693 /nfs/dbraw/zinc/66/36/93/475663693.db2.gz BLCDHMGRZMDAII-HXUWFJFHSA-N 2 0 340.515 2.818 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000353241192 475796551 /nfs/dbraw/zinc/79/65/51/475796551.db2.gz LHRIFGACKDMRII-NJYVYQBISA-N 2 0 339.483 2.903 20 30 EFEDRP C=CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000353577271 476095343 /nfs/dbraw/zinc/09/53/43/476095343.db2.gz SSFYCQRMYMFBGG-UHFFFAOYSA-N 2 0 348.487 2.803 20 30 EFEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360829563 476413928 /nfs/dbraw/zinc/41/39/28/476413928.db2.gz BNXCXJMLRYWZKM-FQEVSTJZSA-N 2 0 326.488 2.553 20 30 EFEDRP CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218178 476511757 /nfs/dbraw/zinc/51/17/57/476511757.db2.gz ABTKATLMSHMIBB-DOTOQJQBSA-N 2 0 331.460 2.750 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224394 476518691 /nfs/dbraw/zinc/51/86/91/476518691.db2.gz NXNYPAUROOKXKD-RDJZCZTQSA-N 2 0 328.460 2.691 20 30 EFEDRP C=CCN1CCC([NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000374898893 476580434 /nfs/dbraw/zinc/58/04/34/476580434.db2.gz RNZUUHSYDLKRKM-FQEVSTJZSA-N 2 0 327.472 2.720 20 30 EFEDRP C=CCN1CCC([NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000374898896 476581101 /nfs/dbraw/zinc/58/11/01/476581101.db2.gz RNZUUHSYDLKRKM-HXUWFJFHSA-N 2 0 327.472 2.720 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000422966824 476870728 /nfs/dbraw/zinc/87/07/28/476870728.db2.gz ATPIFWMHAPKZRB-CABCVRRESA-N 2 0 329.444 2.530 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2)c(F)c1 ZINC000422979258 476876025 /nfs/dbraw/zinc/87/60/25/476876025.db2.gz MJNDUPUXUSRONU-PREGVCBESA-N 2 0 330.451 2.773 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415122267 476907946 /nfs/dbraw/zinc/90/79/46/476907946.db2.gz JRXARCUTZJBMTE-ICSRJNTNSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CC[C@@H]1[N@H+](Cc2cnc(N3CCN(C)CC3)nc2)CCCC1(C)C ZINC000446828265 476923948 /nfs/dbraw/zinc/92/39/48/476923948.db2.gz SOPXCNYQZQSDIW-SFHVURJKSA-N 2 0 343.519 2.795 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430968157 476954537 /nfs/dbraw/zinc/95/45/37/476954537.db2.gz XGFHPGFGOXXVIF-GJZGRUSLSA-N 2 0 335.517 2.710 20 30 EFEDRP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423218985 476967452 /nfs/dbraw/zinc/96/74/52/476967452.db2.gz SWMJMEMSLXDMGV-QFBILLFUSA-N 2 0 326.488 2.500 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000415980678 476976365 /nfs/dbraw/zinc/97/63/65/476976365.db2.gz TYJIJYZUTSRRBI-GOSISDBHSA-N 2 0 330.476 2.965 20 30 EFEDRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000447548132 477009323 /nfs/dbraw/zinc/00/93/23/477009323.db2.gz GIWNDFIJMSWWLN-UXHICEINSA-N 2 0 328.504 2.871 20 30 EFEDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900644 477072131 /nfs/dbraw/zinc/07/21/31/477072131.db2.gz HLIXNAPPWOMIBQ-PXNSSMCTSA-N 2 0 326.488 2.720 20 30 EFEDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000432366122 477202980 /nfs/dbraw/zinc/20/29/80/477202980.db2.gz BSVPEMOLAYQVCV-GOSISDBHSA-N 2 0 345.487 2.960 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000371294704 477223784 /nfs/dbraw/zinc/22/37/84/477223784.db2.gz MQJDXRGQQSPFBS-HOJAQTOUSA-N 2 0 343.471 2.511 20 30 EFEDRP C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411419619 477228160 /nfs/dbraw/zinc/22/81/60/477228160.db2.gz TXOMTHLJZSPHGP-MOPGFXCFSA-N 2 0 332.536 2.808 20 30 EFEDRP C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000411419625 477230030 /nfs/dbraw/zinc/23/00/30/477230030.db2.gz TXOMTHLJZSPHGP-RBUKOAKNSA-N 2 0 332.536 2.808 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126020 477299238 /nfs/dbraw/zinc/29/92/38/477299238.db2.gz BAQXXDHXANEBHS-MAUKXSAKSA-N 2 0 328.460 2.878 20 30 EFEDRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000424131021 477301418 /nfs/dbraw/zinc/30/14/18/477301418.db2.gz GCCJIAHQJGDBSG-CVEARBPZSA-N 2 0 348.516 2.658 20 30 EFEDRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424134325 477302641 /nfs/dbraw/zinc/30/26/41/477302641.db2.gz NJHCDSCAURDTHJ-IBGZPJMESA-N 2 0 342.487 2.556 20 30 EFEDRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCC1)c1ccccc1 ZINC000424149882 477310354 /nfs/dbraw/zinc/31/03/54/477310354.db2.gz XSTIHVGSVOLMBC-WMZOPIPTSA-N 2 0 342.487 2.787 20 30 EFEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000435743471 477362627 /nfs/dbraw/zinc/36/26/27/477362627.db2.gz ACTRAJNZECJEIJ-FPOVZHCZSA-N 2 0 343.515 2.899 20 30 EFEDRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000367201462 477389520 /nfs/dbraw/zinc/38/95/20/477389520.db2.gz SUAZSHBQRPCXLE-UHFFFAOYSA-N 2 0 340.471 2.695 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417539747 477456018 /nfs/dbraw/zinc/45/60/18/477456018.db2.gz ONAHZBXMPIGXIL-IEBWSBKVSA-N 2 0 348.535 2.591 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417519770 477456465 /nfs/dbraw/zinc/45/64/65/477456465.db2.gz AVUVOBZFQOEVAL-IBGZPJMESA-N 2 0 344.503 2.759 20 30 EFEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000559290093 477973472 /nfs/dbraw/zinc/97/34/72/477973472.db2.gz IDOVHKNMYLRSPY-CALCHBBNSA-N 2 0 342.487 2.665 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000532950896 478011906 /nfs/dbraw/zinc/01/19/06/478011906.db2.gz VOVLSSRLRMEOQH-UHFFFAOYSA-N 2 0 342.487 2.939 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000441245940 478202927 /nfs/dbraw/zinc/20/29/27/478202927.db2.gz OCULWRLNOUTXOY-ZHALLVOQSA-N 2 0 348.535 2.609 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594453945 478397015 /nfs/dbraw/zinc/39/70/15/478397015.db2.gz PNSYGPKVESZYOF-IEBWSBKVSA-N 2 0 348.535 2.901 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594453946 478397354 /nfs/dbraw/zinc/39/73/54/478397354.db2.gz PNSYGPKVESZYOF-MJGOQNOKSA-N 2 0 348.535 2.901 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594453941 478397384 /nfs/dbraw/zinc/39/73/84/478397384.db2.gz PNSYGPKVESZYOF-HKUYNNGSSA-N 2 0 348.535 2.901 20 30 EFEDRP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539860755 478446871 /nfs/dbraw/zinc/44/68/71/478446871.db2.gz XAUHAPVZPBBHAL-FQEVSTJZSA-N 2 0 343.515 2.852 20 30 EFEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570792 478583797 /nfs/dbraw/zinc/58/37/97/478583797.db2.gz OHEWISPXKMEPJU-QFBILLFUSA-N 2 0 341.503 2.822 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)CC[NH2+]CC1 ZINC000591570916 478583882 /nfs/dbraw/zinc/58/38/82/478583882.db2.gz BTYQNOGLQFZSSD-CABCVRRESA-N 2 0 329.444 2.530 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000591582323 478587505 /nfs/dbraw/zinc/58/75/05/478587505.db2.gz HXPVBXSXOLJBCN-HXUWFJFHSA-N 2 0 338.499 2.787 20 30 EFEDRP CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000594957857 478604213 /nfs/dbraw/zinc/60/42/13/478604213.db2.gz VNYODEZLAVTNFN-GOSISDBHSA-N 2 0 326.488 2.989 20 30 EFEDRP CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000594957858 478604228 /nfs/dbraw/zinc/60/42/28/478604228.db2.gz VNYODEZLAVTNFN-SFHVURJKSA-N 2 0 326.488 2.989 20 30 EFEDRP C=C(C)C[C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000582673483 478656411 /nfs/dbraw/zinc/65/64/11/478656411.db2.gz IPFXGBPJYJFHIR-KRWDZBQOSA-N 2 0 329.488 2.698 20 30 EFEDRP C#CC[N@@H+](C)CCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491777834 478673929 /nfs/dbraw/zinc/67/39/29/478673929.db2.gz IDLRRLNFGSHNQQ-IBGZPJMESA-N 2 0 327.516 2.627 20 30 EFEDRP CC(C)[NH+]1CCC(N2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595380690 478755620 /nfs/dbraw/zinc/75/56/20/478755620.db2.gz AAZVUJVBJVDTQC-UHFFFAOYSA-N 2 0 340.515 2.591 20 30 EFEDRP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598602867 478921794 /nfs/dbraw/zinc/92/17/94/478921794.db2.gz WKHZKYHILHDEDH-WDSOQIARSA-N 2 0 329.488 2.787 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000598718468 478989500 /nfs/dbraw/zinc/98/95/00/478989500.db2.gz BLOBGMTZPVWREA-RBUKOAKNSA-N 2 0 329.488 2.789 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000598718493 478990085 /nfs/dbraw/zinc/99/00/85/478990085.db2.gz BRLNWDZUTYKDNP-INIZCTEOSA-N 2 0 335.517 2.850 20 30 EFEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598727515 478992550 /nfs/dbraw/zinc/99/25/50/478992550.db2.gz JCEROTYNCZWZIW-QGZVFWFLSA-N 2 0 345.487 2.550 20 30 EFEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000584166906 479037169 /nfs/dbraw/zinc/03/71/69/479037169.db2.gz PGVPSEHRDZWCQY-BHYGNILZSA-N 2 0 330.451 2.644 20 30 EFEDRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000598994838 479119581 /nfs/dbraw/zinc/11/95/81/479119581.db2.gz UDFAERSAJNYQJG-GOSISDBHSA-N 2 0 326.488 2.849 20 30 EFEDRP C(#CC[N@@H+]1CC[C@H](c2cccnc2)C1)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000568877484 479131504 /nfs/dbraw/zinc/13/15/04/479131504.db2.gz JTQCEONBVVCXOC-VXKWHMMOSA-N 2 0 346.478 2.759 20 30 EFEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110032 479253109 /nfs/dbraw/zinc/25/31/09/479253109.db2.gz KDVBLHZJWSQUHO-GOSISDBHSA-N 2 0 348.535 2.915 20 30 EFEDRP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110703 479254601 /nfs/dbraw/zinc/25/46/01/479254601.db2.gz PFVDTQGSWHBPMR-MJGOQNOKSA-N 2 0 336.524 2.627 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000593323323 479294980 /nfs/dbraw/zinc/29/49/80/479294980.db2.gz UFVXQVPTTXDQCT-SVFBPWRDSA-N 2 0 338.499 2.500 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000593323320 479295560 /nfs/dbraw/zinc/29/55/60/479295560.db2.gz UFVXQVPTTXDQCT-IRFCIJBXSA-N 2 0 338.499 2.500 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000593324706 479296769 /nfs/dbraw/zinc/29/67/69/479296769.db2.gz YSIKPKZGYVTGPF-PMACEKPBSA-N 2 0 326.488 2.772 20 30 EFEDRP C[C@H](CCC#N)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000602468159 479348510 /nfs/dbraw/zinc/34/85/10/479348510.db2.gz JSLQRVOHABFUQS-GOSISDBHSA-N 2 0 344.503 2.689 20 30 EFEDRP CC(C)[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611390952 479365604 /nfs/dbraw/zinc/36/56/04/479365604.db2.gz XBTRTBPCZKBODY-RTWAWAEBSA-N 2 0 340.515 2.797 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592007 479413406 /nfs/dbraw/zinc/41/34/06/479413406.db2.gz GHVJVJZOZSNXFI-RBUKOAKNSA-N 2 0 342.487 2.569 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000593702001 479429006 /nfs/dbraw/zinc/42/90/06/479429006.db2.gz JRKFSYKVZBFNSZ-UTKZUKDTSA-N 2 0 340.515 2.843 20 30 EFEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)CC1 ZINC000602654781 479451613 /nfs/dbraw/zinc/45/16/13/479451613.db2.gz STZSZVIJFNSWST-UHFFFAOYSA-N 2 0 336.439 2.716 20 30 EFEDRP CSC1(C[NH2+][C@H](C)CC2(C#N)CCOCC2)CC[NH+](C)CC1 ZINC000602665917 479459594 /nfs/dbraw/zinc/45/95/94/479459594.db2.gz DWGBIRUDENGZKO-OAHLLOKOSA-N 2 0 325.522 2.502 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000615094049 479598764 /nfs/dbraw/zinc/59/87/64/479598764.db2.gz XTDPRNSQAOJVQO-QGLXBCBXSA-N 2 0 340.471 2.860 20 30 EFEDRP N#Cc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000579129178 479665495 /nfs/dbraw/zinc/66/54/95/479665495.db2.gz REFDFAQJODIDQQ-UHFFFAOYSA-N 2 0 334.467 2.641 20 30 EFEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614167234 480212615 /nfs/dbraw/zinc/21/26/15/480212615.db2.gz BGQVHBGBBKMYPG-HXUWFJFHSA-N 2 0 340.515 2.700 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668369370 482102598 /nfs/dbraw/zinc/10/25/98/482102598.db2.gz WEPSEZUYUHXBRX-FQEVSTJZSA-N 2 0 341.499 2.633 20 30 EFEDRP CC[C@H](C)[N@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181663039 523920703 /nfs/dbraw/zinc/92/07/03/523920703.db2.gz LCIDSZCHGQIQBD-KRWDZBQOSA-N 2 0 328.504 2.843 20 30 EFEDRP C[NH+]=C(NCc1ccc(Cl)s1)NC1CC[NH+](C(C)C)CC1 ZINC000172288753 526382782 /nfs/dbraw/zinc/38/27/82/526382782.db2.gz RGHXUOSISUCNPF-UHFFFAOYSA-N 2 0 328.913 2.939 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000171708017 526433391 /nfs/dbraw/zinc/43/33/91/526433391.db2.gz QYVPDKPIACOZQR-SFHVURJKSA-N 2 0 338.540 2.693 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000162816384 527261872 /nfs/dbraw/zinc/26/18/72/527261872.db2.gz XWNXHYRKYBHQGZ-UFYCRDLUSA-N 2 0 344.499 2.571 20 30 EFEDRP CCN(CC)C(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000104180852 527981224 /nfs/dbraw/zinc/98/12/24/527981224.db2.gz VIYHVQOCMLVOPK-UHFFFAOYSA-N 2 0 332.492 2.564 20 30 EFEDRP CC[NH+](CC)CCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191382445 528103536 /nfs/dbraw/zinc/10/35/36/528103536.db2.gz DUHATPMSXACCFV-UHFFFAOYSA-N 2 0 328.504 2.798 20 30 EFEDRP CC[NH+](CC)C[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344088590 535589330 /nfs/dbraw/zinc/58/93/30/535589330.db2.gz APFIEPHPYSKRTR-KRWDZBQOSA-N 2 0 328.504 2.843 20 30 EFEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000247005116 536382341 /nfs/dbraw/zinc/38/23/41/536382341.db2.gz KYTCRJVSDXHVKG-CJNGLKHVSA-N 2 0 329.473 2.953 20 30 EFEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000657329332 547113137 /nfs/dbraw/zinc/11/31/37/547113137.db2.gz OOQXRQFJFANXCX-UHFFFAOYSA-N 2 0 339.487 2.856 20 30 EFEDRP C=CCCn1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389234 547142053 /nfs/dbraw/zinc/14/20/53/547142053.db2.gz TWLSJFOTZSXBSV-MJGOQNOKSA-N 2 0 339.487 2.997 20 30 EFEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000658033247 547339532 /nfs/dbraw/zinc/33/95/32/547339532.db2.gz CVJBNYOSIQSEKX-MOPGFXCFSA-N 2 0 335.536 2.508 20 30 EFEDRP C=CCc1cc(OC)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1O ZINC000754741326 575481253 /nfs/dbraw/zinc/48/12/53/575481253.db2.gz LDFTWZIDIKIVDY-UHFFFAOYSA-N 2 0 348.487 2.672 20 30 EFEDRP C#CCOc1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000769205792 577344497 /nfs/dbraw/zinc/34/44/97/577344497.db2.gz IHSLJFGFYLISAV-UHFFFAOYSA-N 2 0 342.483 2.633 20 30 EFEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769384687 577357569 /nfs/dbraw/zinc/35/75/69/577357569.db2.gz SXRJDDWCXCOVIN-UHFFFAOYSA-N 2 0 344.503 2.579 20 30 EFEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769515487 577369104 /nfs/dbraw/zinc/36/91/04/577369104.db2.gz QYMKHGPUNJKCCZ-PXNSSMCTSA-N 2 0 345.487 2.910 20 30 EFEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000771830405 581248569 /nfs/dbraw/zinc/24/85/69/581248569.db2.gz QNNYFNCLVLABID-UHFFFAOYSA-N 2 0 342.531 2.569 20 30 EFEDRP CN(c1ccccc1C=[NH+]OC1CCOCC1)C1CC[NH+](C)CC1 ZINC000774452423 581491918 /nfs/dbraw/zinc/49/19/18/581491918.db2.gz WTPBPNZHXWYVAU-UHFFFAOYSA-N 2 0 331.460 2.747 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001754375365 1248955739 /nfs/dbraw/zinc/95/57/39/1248955739.db2.gz AAFQVTNVXONGLD-MRXNPFEDSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089684492 1252167326 /nfs/dbraw/zinc/16/73/26/1252167326.db2.gz QCGCFVCERVSLIC-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686150 1252173938 /nfs/dbraw/zinc/17/39/38/1252173938.db2.gz NALAGDSZAVXWDS-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC000995822045 1254743507 /nfs/dbraw/zinc/74/35/07/1254743507.db2.gz KWBFMMNOVWULMJ-HNNXBMFYSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825633 1254745956 /nfs/dbraw/zinc/74/59/56/1254745956.db2.gz VWLYSHLSZAUSRL-AEFFLSMTSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995895517 1254819469 /nfs/dbraw/zinc/81/94/69/1254819469.db2.gz LQVYDUFWYHVFOO-JKSUJKDBSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995895041 1254820024 /nfs/dbraw/zinc/82/00/24/1254820024.db2.gz LQVYDUFWYHVFOO-CVEARBPZSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995921654 1254842933 /nfs/dbraw/zinc/84/29/33/1254842933.db2.gz XJPSSHIPNLSSLV-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995921659 1254843664 /nfs/dbraw/zinc/84/36/64/1254843664.db2.gz XJPSSHIPNLSSLV-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996045602 1254960467 /nfs/dbraw/zinc/96/04/67/1254960467.db2.gz YIJPBNAJXDNBCH-OAHLLOKOSA-N 2 0 332.835 2.527 20 30 EFEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190636 1255065679 /nfs/dbraw/zinc/06/56/79/1255065679.db2.gz MJVXNZQFCYCQLC-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC1(C)C ZINC000996195471 1255095085 /nfs/dbraw/zinc/09/50/85/1255095085.db2.gz DKLIFMKZFSTOQB-CQSZACIVSA-N 2 0 339.867 2.534 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996379741 1255261201 /nfs/dbraw/zinc/26/12/01/1255261201.db2.gz OIVHOVOZJRUKEG-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000996499188 1255386327 /nfs/dbraw/zinc/38/63/27/1255386327.db2.gz AXCVYSLMHFIIIU-GOSISDBHSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098819552 1255735271 /nfs/dbraw/zinc/73/52/71/1255735271.db2.gz ALDOVSNXNKORLD-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3ccnc3CC)CCC[C@@H]12 ZINC001107413782 1255778879 /nfs/dbraw/zinc/77/88/79/1255778879.db2.gz RXRJEHLLGXIRKI-MBOZVWFJSA-N 2 0 344.503 2.943 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424631 1255783493 /nfs/dbraw/zinc/78/34/93/1255783493.db2.gz YTQIRDCVSJKQAA-ZHALLVOQSA-N 2 0 339.499 2.603 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424410 1255784150 /nfs/dbraw/zinc/78/41/50/1255784150.db2.gz MRWCQZRSZADANM-YQVWRLOYSA-N 2 0 339.499 2.603 20 30 EFEDRP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1)C1CCCC1 ZINC001098820235 1255815350 /nfs/dbraw/zinc/81/53/50/1255815350.db2.gz HBPKKRDGEUCTJG-AZUAARDMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436633 1255815619 /nfs/dbraw/zinc/81/56/19/1255815619.db2.gz HODDAWSVQSBIJQ-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457733 1255873433 /nfs/dbraw/zinc/87/34/33/1255873433.db2.gz MPJYAFOXOYBCIG-WIYYLYMNSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821569 1255999030 /nfs/dbraw/zinc/99/90/30/1255999030.db2.gz PPIVSLXVXLHJFR-AZUAARDMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547078 1256106727 /nfs/dbraw/zinc/10/67/27/1256106727.db2.gz ZOBCDWJMONXXGN-JFIYKMOQSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552649 1256118701 /nfs/dbraw/zinc/11/87/01/1256118701.db2.gz PYLGHYSNXQLPGX-YLJYHZDGSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566597 1256155044 /nfs/dbraw/zinc/15/50/44/1256155044.db2.gz BQJXSEVWNGNLJV-QKNQBKEWSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582247 1256179605 /nfs/dbraw/zinc/17/96/05/1256179605.db2.gz ZFLIHJSBKPUJLW-SFHLNBCPSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001115688188 1256203952 /nfs/dbraw/zinc/20/39/52/1256203952.db2.gz OZDCDROYBKZEJA-SFHVURJKSA-N 2 0 333.520 2.540 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652197 1256367049 /nfs/dbraw/zinc/36/70/49/1256367049.db2.gz HHUCBSFZMLIMPQ-TZIWHRDSSA-N 2 0 345.531 2.637 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997140830 1257055051 /nfs/dbraw/zinc/05/50/51/1257055051.db2.gz WRTGUVIGHZWJCH-YLJYHZDGSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc3nccn32)CC1 ZINC000997219094 1257264156 /nfs/dbraw/zinc/26/41/56/1257264156.db2.gz JQRMBIPWQIFFOJ-OAHLLOKOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997281190 1257343882 /nfs/dbraw/zinc/34/38/82/1257343882.db2.gz ZRHRRGSQBIENGJ-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032489121 1257827721 /nfs/dbraw/zinc/82/77/21/1257827721.db2.gz UYCZTGABMUAOPO-ROUUACIJSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997583035 1258061390 /nfs/dbraw/zinc/06/13/90/1258061390.db2.gz AZOVYIPKXFDKRC-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997725508 1258312556 /nfs/dbraw/zinc/31/25/56/1258312556.db2.gz GIOWGTBZXTYTEP-HKUYNNGSSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997871820 1258557050 /nfs/dbraw/zinc/55/70/50/1258557050.db2.gz PFRTUYKVMBPWNP-KRWDZBQOSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004201046 1266207298 /nfs/dbraw/zinc/20/72/98/1266207298.db2.gz IGXYYSHIRBLCOD-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007973 1258935098 /nfs/dbraw/zinc/93/50/98/1258935098.db2.gz PYVVTHHAYFYJMN-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021703 1258973988 /nfs/dbraw/zinc/97/39/88/1258973988.db2.gz HBZPOMDEXLYVMM-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998065844 1259060472 /nfs/dbraw/zinc/06/04/72/1259060472.db2.gz XUXPQPAYVCWXRW-KRWDZBQOSA-N 2 0 326.444 2.837 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998090844 1259096040 /nfs/dbraw/zinc/09/60/40/1259096040.db2.gz BOAYRVNPUYPUPE-VQTJNVASSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998108883 1259120941 /nfs/dbraw/zinc/12/09/41/1259120941.db2.gz HELFFWQVNSNXRD-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998165578 1259181643 /nfs/dbraw/zinc/18/16/43/1259181643.db2.gz MTXJPGGUMZSROC-HXUWFJFHSA-N 2 0 347.547 2.833 20 30 EFEDRP CC#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001670976965 1259260646 /nfs/dbraw/zinc/26/06/46/1259260646.db2.gz LNEQENJCXVJTPP-IBGZPJMESA-N 2 0 335.536 2.737 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273144609 1260236300 /nfs/dbraw/zinc/23/63/00/1260236300.db2.gz RXQQBAUEXLXIBJ-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273144610 1260236310 /nfs/dbraw/zinc/23/63/10/1260236310.db2.gz RXQQBAUEXLXIBJ-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999159376 1260266800 /nfs/dbraw/zinc/26/68/00/1260266800.db2.gz ADMJINWJSUZVOQ-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999155680 1260278052 /nfs/dbraw/zinc/27/80/52/1260278052.db2.gz ZMXSYSNABGGYCX-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999168092 1260290047 /nfs/dbraw/zinc/29/00/47/1260290047.db2.gz GEFHHOGYIQKGAW-UHFFFAOYSA-N 2 0 349.906 2.736 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999984217 1261025066 /nfs/dbraw/zinc/02/50/66/1261025066.db2.gz OHTYTUJWHZXZMH-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC001000184098 1261179346 /nfs/dbraw/zinc/17/93/46/1261179346.db2.gz HCFKPDDZIZOEMG-RBUKOAKNSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCN1c2ccccc2[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870460 1261196950 /nfs/dbraw/zinc/19/69/50/1261196950.db2.gz PQDWXAJENHLUQL-NRFANRHFSA-N 2 0 341.499 2.751 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888307 1261236994 /nfs/dbraw/zinc/23/69/94/1261236994.db2.gz VECQHTMXDWKEJZ-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)C(C)C ZINC001168667855 1261395663 /nfs/dbraw/zinc/39/56/63/1261395663.db2.gz ZWACGCVCXNJHPI-LJQANCHMSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905030 1261726392 /nfs/dbraw/zinc/72/63/92/1261726392.db2.gz ZFISIPZXBIQQBQ-ZCNNSNEGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001000991898 1261789914 /nfs/dbraw/zinc/78/99/14/1261789914.db2.gz KNRNFOIIKPZLMI-QGZVFWFLSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006133500 1261859089 /nfs/dbraw/zinc/85/90/89/1261859089.db2.gz SASUFURJXDFITD-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078663959 1262148200 /nfs/dbraw/zinc/14/82/00/1262148200.db2.gz WUPDJSLQJTWKNI-ZWKOTPCHSA-N 2 0 338.455 2.849 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711463 1262178589 /nfs/dbraw/zinc/17/85/89/1262178589.db2.gz VNWLOFXNJCMEFZ-HZPDHXFCSA-N 2 0 331.460 2.548 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699981 1262178767 /nfs/dbraw/zinc/17/87/67/1262178767.db2.gz DYMMZHVVAIJOQH-LSDHHAIUSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768061 1262301527 /nfs/dbraw/zinc/30/15/27/1262301527.db2.gz MKBYSLDQYSGXLS-ROUUACIJSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078776438 1262314050 /nfs/dbraw/zinc/31/40/50/1262314050.db2.gz LIHIWMWMGCUNLO-RTBURBONSA-N 2 0 345.531 2.702 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001486201160 1262784697 /nfs/dbraw/zinc/78/46/97/1262784697.db2.gz QYLCKQAIALBNRZ-CVEARBPZSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486412601 1263038227 /nfs/dbraw/zinc/03/82/27/1263038227.db2.gz XCVPELBQHCMTKA-CQSZACIVSA-N 2 0 331.932 2.837 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164541242 1263151576 /nfs/dbraw/zinc/15/15/76/1263151576.db2.gz XYGVAXMNASAMNM-GOSISDBHSA-N 2 0 345.531 2.540 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164541243 1263151696 /nfs/dbraw/zinc/15/16/96/1263151696.db2.gz XYGVAXMNASAMNM-SFHVURJKSA-N 2 0 345.531 2.540 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406163 1263916441 /nfs/dbraw/zinc/91/64/41/1263916441.db2.gz HXOPEVZOBOXSSV-MISYRCLQSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084472880 1263943723 /nfs/dbraw/zinc/94/37/23/1263943723.db2.gz YJCLHMSMAYNCPX-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476012 1263970059 /nfs/dbraw/zinc/97/00/59/1263970059.db2.gz FKJBDSQQQHWFPC-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545099 1264013772 /nfs/dbraw/zinc/01/37/72/1264013772.db2.gz WUVGKEGIZJBAII-UYAOXDASSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663602 1264169631 /nfs/dbraw/zinc/16/96/31/1264169631.db2.gz KGNDUCSDEQRKQV-WOJBJXKFSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700807 1264245991 /nfs/dbraw/zinc/24/59/91/1264245991.db2.gz BBJGEHHAWWFDNZ-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001002928868 1264296978 /nfs/dbraw/zinc/29/69/78/1264296978.db2.gz GVEQIMKYXRQHPW-UHFFFAOYSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963438 1264769634 /nfs/dbraw/zinc/76/96/34/1264769634.db2.gz UZMUYYRXEYZCOO-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978522 1264808068 /nfs/dbraw/zinc/80/80/68/1264808068.db2.gz WKVHYVBXRBVYOO-AQNXPRMDSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492193 1264817910 /nfs/dbraw/zinc/81/79/10/1264817910.db2.gz CQHWHVVZABZEOB-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001003630701 1264999400 /nfs/dbraw/zinc/99/94/00/1264999400.db2.gz NHGGXNRBEVBCIR-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101547 1265144770 /nfs/dbraw/zinc/14/47/70/1265144770.db2.gz QACSECSCILJFFH-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083106 1266451197 /nfs/dbraw/zinc/45/11/97/1266451197.db2.gz XKTQBSCLZJWDKO-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592332 1266602633 /nfs/dbraw/zinc/60/26/33/1266602633.db2.gz HZAKQZSLKQFKIU-WCIQWLHISA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171069349 1278295412 /nfs/dbraw/zinc/29/54/12/1278295412.db2.gz QFECVOBKTADJCO-IRXDYDNUSA-N 2 0 329.504 2.897 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004447499 1267027225 /nfs/dbraw/zinc/02/72/25/1267027225.db2.gz SPQMHLBBFJTERW-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004474882 1267122741 /nfs/dbraw/zinc/12/27/41/1267122741.db2.gz FRPCIVZZMTWWRY-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476060 1267128041 /nfs/dbraw/zinc/12/80/41/1267128041.db2.gz BYVFFHVOFAJXNC-SFHVURJKSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001085332327 1267180340 /nfs/dbraw/zinc/18/03/40/1267180340.db2.gz SXBXIIIMRMQZNQ-GPMSIDNRSA-N 2 0 339.499 2.792 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621298 1267194039 /nfs/dbraw/zinc/19/40/39/1267194039.db2.gz SUXCJBYSTIUPLI-ZCNNSNEGSA-N 2 0 347.547 2.711 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004526337 1267224753 /nfs/dbraw/zinc/22/47/53/1267224753.db2.gz ZVRVGGNOHPDEIY-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004547655 1267269980 /nfs/dbraw/zinc/26/99/80/1267269980.db2.gz PBFIPEROJNYEGY-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004547662 1267271676 /nfs/dbraw/zinc/27/16/76/1267271676.db2.gz PBFIPEROJNYEGY-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004539895 1267280201 /nfs/dbraw/zinc/28/02/01/1267280201.db2.gz IIAMPKKZBMCNRL-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004540098 1267282254 /nfs/dbraw/zinc/28/22/54/1267282254.db2.gz BIWVFOKBEFBWKA-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004540095 1267282454 /nfs/dbraw/zinc/28/24/54/1267282454.db2.gz BIWVFOKBEFBWKA-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069855 1278319267 /nfs/dbraw/zinc/31/92/67/1278319267.db2.gz XQLJVOYCWSXZGL-HNNXBMFYSA-N 2 0 335.517 2.711 20 30 EFEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001004572088 1267310428 /nfs/dbraw/zinc/31/04/28/1267310428.db2.gz ZCYVKATVNSXOPU-VQTJNVASSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004586942 1267344938 /nfs/dbraw/zinc/34/49/38/1267344938.db2.gz WKMRIWFFCPVRQF-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148072 1267397338 /nfs/dbraw/zinc/39/73/38/1267397338.db2.gz BOICOQDJZVKPIT-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004617964 1267412177 /nfs/dbraw/zinc/41/21/77/1267412177.db2.gz UYTJJAJLVBXEIB-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151608 1267452109 /nfs/dbraw/zinc/45/21/09/1267452109.db2.gz KHHHNVIVYBPUCG-HZPDHXFCSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273100898 1267666794 /nfs/dbraw/zinc/66/67/94/1267666794.db2.gz IWCXQTJFYIMTSM-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710912 1267755363 /nfs/dbraw/zinc/75/53/63/1267755363.db2.gz YPKKYKDDBYHTBV-HDICACEKSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001085648712 1268133656 /nfs/dbraw/zinc/13/36/56/1268133656.db2.gz UJODGAHEYDOGEY-UXHICEINSA-N 2 0 343.515 2.507 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742460 1268394581 /nfs/dbraw/zinc/39/45/81/1268394581.db2.gz QUJIPWIHZIHFKI-SFHVURJKSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297380 1268686799 /nfs/dbraw/zinc/68/67/99/1268686799.db2.gz MLRLWPRRVOSJEL-LJQANCHMSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803805 1268739996 /nfs/dbraw/zinc/73/99/96/1268739996.db2.gz WPBCRXHIVWFNFL-GBESFXJTSA-N 2 0 344.503 2.971 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819210 1268867667 /nfs/dbraw/zinc/86/76/67/1268867667.db2.gz WTQJQDHBSXYVJS-WCIQWLHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674601 1278468198 /nfs/dbraw/zinc/46/81/98/1278468198.db2.gz AUSVHAHIGHUMAB-KRWDZBQOSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001113674602 1278468252 /nfs/dbraw/zinc/46/82/52/1278468252.db2.gz AUSVHAHIGHUMAB-QGZVFWFLSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984608 1269410211 /nfs/dbraw/zinc/41/02/11/1269410211.db2.gz IQUNHMJQPKCBTP-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001410845995 1269790776 /nfs/dbraw/zinc/79/07/76/1269790776.db2.gz DRNCSWBJNTWQLI-CVEARBPZSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685100 1269795048 /nfs/dbraw/zinc/79/50/48/1269795048.db2.gz KQKQYJOUKGZCGU-SFHVURJKSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005391772 1270312496 /nfs/dbraw/zinc/31/24/96/1270312496.db2.gz UPKJFAZRWGSORQ-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086199921 1270447494 /nfs/dbraw/zinc/44/74/94/1270447494.db2.gz ZGWWZUDWKCJXIB-MAEOIBBWSA-N 2 0 349.906 2.641 20 30 EFEDRP CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050368 1270967502 /nfs/dbraw/zinc/96/75/02/1270967502.db2.gz KNYCNFVDIUDNFX-KRWDZBQOSA-N 2 0 345.487 2.681 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210129 1271363074 /nfs/dbraw/zinc/36/30/74/1271363074.db2.gz FTGBHQRSBJSJRF-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250432 1271425782 /nfs/dbraw/zinc/42/57/82/1271425782.db2.gz QHCVPMRUPHQETK-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367692 1271755021 /nfs/dbraw/zinc/75/50/21/1271755021.db2.gz HEBKDIZFYAPZLJ-QUCCMNQESA-N 2 0 345.531 2.778 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366645 1271787312 /nfs/dbraw/zinc/78/73/12/1271787312.db2.gz BZKVCJGBRKOVEN-QUCCMNQESA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445501 1271974841 /nfs/dbraw/zinc/97/48/41/1271974841.db2.gz URCQXJNSDZFDKZ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034536960 1272237094 /nfs/dbraw/zinc/23/70/94/1272237094.db2.gz IXSGSKOMVUAQAL-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544208 1272258721 /nfs/dbraw/zinc/25/87/21/1272258721.db2.gz GRTVZAASOUVPDR-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544173 1272259602 /nfs/dbraw/zinc/25/96/02/1272259602.db2.gz GETWCKIHGRMOEA-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001034643114 1272432825 /nfs/dbraw/zinc/43/28/25/1272432825.db2.gz PMUKGJMMVDAYOZ-QBPKDAKJSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001034659401 1272464973 /nfs/dbraw/zinc/46/49/73/1272464973.db2.gz SFRLHNKXSKOOHD-JYJNAYRXSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034662387 1272469698 /nfs/dbraw/zinc/46/96/98/1272469698.db2.gz GYLIWGVSUXWPCZ-ZHALLVOQSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001034674552 1272504883 /nfs/dbraw/zinc/50/48/83/1272504883.db2.gz JNHLPIIUMKVEDN-LUKYLMHMSA-N 2 0 339.911 2.773 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169132999 1272692264 /nfs/dbraw/zinc/69/22/64/1272692264.db2.gz BDMZKVOBGSISLG-DMUMMCEESA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169132998 1272692812 /nfs/dbraw/zinc/69/28/12/1272692812.db2.gz BDMZKVOBGSISLG-AJYBTWMASA-N 2 0 331.504 2.645 20 30 EFEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3C#N)CC1)C2 ZINC001169111940 1272703352 /nfs/dbraw/zinc/70/33/52/1272703352.db2.gz RDTJYZHASKAWEJ-WKCHPHFGSA-N 2 0 338.499 2.737 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001034768599 1272902073 /nfs/dbraw/zinc/90/20/73/1272902073.db2.gz JQMZYDXOEHPYKQ-QAQDUYKDSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001034796530 1272989688 /nfs/dbraw/zinc/98/96/88/1272989688.db2.gz IEWZKYKSTDMMLI-BZUAXINKSA-N 2 0 327.900 2.630 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001108715093 1273394733 /nfs/dbraw/zinc/39/47/33/1273394733.db2.gz SKLIZJNYZVTDNO-SCTDSRPQSA-N 2 0 345.531 2.632 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716230 1273397372 /nfs/dbraw/zinc/39/73/72/1273397372.db2.gz LJRIINOIGAYNPW-JZXOWHBKSA-N 2 0 338.455 2.802 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834568 1273526372 /nfs/dbraw/zinc/52/63/72/1273526372.db2.gz TYDLVKMAXZNZQM-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823463 1273532045 /nfs/dbraw/zinc/53/20/45/1273532045.db2.gz NNDHMGPAYFVOAC-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828398 1273538342 /nfs/dbraw/zinc/53/83/42/1273538342.db2.gz OHSFGCOLDRAGNA-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184383 1273750914 /nfs/dbraw/zinc/75/09/14/1273750914.db2.gz JOFALVCRSOYGGH-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185455 1273755412 /nfs/dbraw/zinc/75/54/12/1273755412.db2.gz WHCGMSHCFNUCOI-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035198970 1273767239 /nfs/dbraw/zinc/76/72/39/1273767239.db2.gz XRODCACHBZDAGJ-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199563 1273768610 /nfs/dbraw/zinc/76/86/10/1273768610.db2.gz LUCBASQNSQLTOH-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035187737 1273794736 /nfs/dbraw/zinc/79/47/36/1273794736.db2.gz FQWXPPCADSTAIT-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193866 1273814493 /nfs/dbraw/zinc/81/44/93/1273814493.db2.gz RATAKMUZTQLZEH-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035220142 1273828147 /nfs/dbraw/zinc/82/81/47/1273828147.db2.gz LNSFQSNYXJAPHR-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035226398 1273847050 /nfs/dbraw/zinc/84/70/50/1273847050.db2.gz HVBHFGYIHITNLE-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035209905 1273860479 /nfs/dbraw/zinc/86/04/79/1273860479.db2.gz DIXKRBTYJPOSRS-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035216990 1273878426 /nfs/dbraw/zinc/87/84/26/1273878426.db2.gz JASHWLAPZYYPFT-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035234353 1273887841 /nfs/dbraw/zinc/88/78/41/1273887841.db2.gz YULDKUAOKPFCQZ-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035236835 1273899440 /nfs/dbraw/zinc/89/94/40/1273899440.db2.gz DXTNZWPPDHEXPY-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035247456 1273924367 /nfs/dbraw/zinc/92/43/67/1273924367.db2.gz WIQBGINYXQCXDX-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260154 1273955807 /nfs/dbraw/zinc/95/58/07/1273955807.db2.gz PRSNSGUEXWJEMU-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001109222876 1274033688 /nfs/dbraw/zinc/03/36/88/1274033688.db2.gz FUDPQOKWTQTTDO-IKGGRYGDSA-N 2 0 330.476 2.810 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294804 1274099580 /nfs/dbraw/zinc/09/95/80/1274099580.db2.gz TVKURWCXSXZLRY-FYQPLNBISA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1CC)C2 ZINC001109307869 1274105858 /nfs/dbraw/zinc/10/58/58/1274105858.db2.gz FMMKGDKNYZNUKD-NCOADZHNSA-N 2 0 330.476 2.694 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109399638 1274240803 /nfs/dbraw/zinc/24/08/03/1274240803.db2.gz QAAGZNLSYOWWGY-YRXWBPOGSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035706435 1274386212 /nfs/dbraw/zinc/38/62/12/1274386212.db2.gz LLZPDGNZTWFUQP-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720823 1274407284 /nfs/dbraw/zinc/40/72/84/1274407284.db2.gz NNISZHPNGBHXQW-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720821 1274407866 /nfs/dbraw/zinc/40/78/66/1274407866.db2.gz NNISZHPNGBHXQW-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035733034 1274423866 /nfs/dbraw/zinc/42/38/66/1274423866.db2.gz LXYAXTHKDRJDRB-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035740895 1274434483 /nfs/dbraw/zinc/43/44/83/1274434483.db2.gz FGPQJNMRGCVOPX-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035740891 1274434702 /nfs/dbraw/zinc/43/47/02/1274434702.db2.gz FGPQJNMRGCVOPX-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035742832 1274435296 /nfs/dbraw/zinc/43/52/96/1274435296.db2.gz AQKBMQLHVYBWPS-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590181 1274453265 /nfs/dbraw/zinc/45/32/65/1274453265.db2.gz VZJNFLCPLITJFA-BDXSIMOUSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035773037 1274497944 /nfs/dbraw/zinc/49/79/44/1274497944.db2.gz ONMROUUCBCACFD-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635564 1274505198 /nfs/dbraw/zinc/50/51/98/1274505198.db2.gz IOUZCCBQZMBWQG-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814579 1274549040 /nfs/dbraw/zinc/54/90/40/1274549040.db2.gz PIGORXYKVQULMJ-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035815122 1274549206 /nfs/dbraw/zinc/54/92/06/1274549206.db2.gz YPWGGSUZMSCEQT-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836619 1274574215 /nfs/dbraw/zinc/57/42/15/1274574215.db2.gz LRXWHQUYFBXNCY-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837792 1274575221 /nfs/dbraw/zinc/57/52/21/1274575221.db2.gz MXLKIXLAJJEAKP-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035837329 1274575464 /nfs/dbraw/zinc/57/54/64/1274575464.db2.gz SSDKFINFOYUZOA-UHFFFAOYSA-N 2 0 342.487 2.652 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035857915 1274607383 /nfs/dbraw/zinc/60/73/83/1274607383.db2.gz NEKQBAQIEHPOHV-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)CC2 ZINC001035860089 1274615073 /nfs/dbraw/zinc/61/50/73/1274615073.db2.gz QIBUEWZVMQAHLU-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798482 1274644772 /nfs/dbraw/zinc/64/47/72/1274644772.db2.gz HWZGKSQUQDNZJV-YSHGAJCASA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001109797010 1274652203 /nfs/dbraw/zinc/65/22/03/1274652203.db2.gz PSZRMXKAYRUFIL-RDGPPVDQSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001109797011 1274652641 /nfs/dbraw/zinc/65/26/41/1274652641.db2.gz PSZRMXKAYRUFIL-YRXWBPOGSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001036093531 1275013786 /nfs/dbraw/zinc/01/37/86/1275013786.db2.gz LXCRLLULDRQLPZ-BLLLJJGKSA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001036097433 1275089490 /nfs/dbraw/zinc/08/94/90/1275089490.db2.gz SRVQJZWPPPOFAP-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001036097425 1275089692 /nfs/dbraw/zinc/08/96/92/1275089692.db2.gz SRVQJZWPPPOFAP-KDOFPFPSSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551801 1275126929 /nfs/dbraw/zinc/12/69/29/1275126929.db2.gz QYPNHXKLFOJQKE-ICSRJNTNSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001036128000 1275134379 /nfs/dbraw/zinc/13/43/79/1275134379.db2.gz MPJPYLHTJGMVJO-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567501 1275219135 /nfs/dbraw/zinc/21/91/35/1275219135.db2.gz SDSKTFLZDJAABW-WMZOPIPTSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001112585914 1275309765 /nfs/dbraw/zinc/30/97/65/1275309765.db2.gz YTRITQGVXSQFHW-NSHGMRRFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086819955 1276502164 /nfs/dbraw/zinc/50/21/64/1276502164.db2.gz INRROSIAJIJJNJ-BBWFWOEESA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001170896611 1276502305 /nfs/dbraw/zinc/50/23/05/1276502305.db2.gz YEJBIOCIMBJZNC-CRAIPNDOSA-N 2 0 347.507 2.631 20 30 EFEDRP Cc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1NC(=O)c1cccc(C#N)c1 ZINC001170900239 1276505936 /nfs/dbraw/zinc/50/59/36/1276505936.db2.gz QQOOLPYPFZPNPA-SFHVURJKSA-N 2 0 337.427 2.555 20 30 EFEDRP Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1NC(=O)c1cccc(C#N)c1 ZINC001170900237 1276506502 /nfs/dbraw/zinc/50/65/02/1276506502.db2.gz QQOOLPYPFZPNPA-GOSISDBHSA-N 2 0 337.427 2.555 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846190 1276527605 /nfs/dbraw/zinc/52/76/05/1276527605.db2.gz UQFCUJOJLWFRPZ-BGYRXZFFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859169 1276785525 /nfs/dbraw/zinc/78/55/25/1276785525.db2.gz MAOJQSTXZBIZFY-ZRNYENFQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001113345713 1277631813 /nfs/dbraw/zinc/63/18/13/1277631813.db2.gz CTJYJFFFELEKHT-QFBILLFUSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001113345711 1277632013 /nfs/dbraw/zinc/63/20/13/1277632013.db2.gz CTJYJFFFELEKHT-APWZRJJASA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001113345714 1277632395 /nfs/dbraw/zinc/63/23/95/1277632395.db2.gz CTJYJFFFELEKHT-VQIMIIECSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC001113529025 1278010856 /nfs/dbraw/zinc/01/08/56/1278010856.db2.gz ATCDJAPGLRUHJW-IBGZPJMESA-N 2 0 329.488 2.790 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001113536652 1278018735 /nfs/dbraw/zinc/01/87/35/1278018735.db2.gz YECAOLAAIPVLFW-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000791299721 1278020173 /nfs/dbraw/zinc/02/01/73/1278020173.db2.gz SOJZRLOEGCAUFD-MRXNPFEDSA-N 2 0 335.517 2.755 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001171194415 1279740791 /nfs/dbraw/zinc/74/07/91/1279740791.db2.gz JIJBCZIDUAKJBD-KRWDZBQOSA-N 2 0 341.499 2.970 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001171194668 1279741871 /nfs/dbraw/zinc/74/18/71/1279741871.db2.gz LSZDYBKRXPVTAZ-KRWDZBQOSA-N 2 0 334.467 2.920 20 30 EFEDRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001175314966 1287398562 /nfs/dbraw/zinc/39/85/62/1287398562.db2.gz DAWGZDOROIZGCW-APWZRJJASA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203249702 1280839042 /nfs/dbraw/zinc/83/90/42/1280839042.db2.gz NZYNKGVGJXRIRU-IAGOWNOFSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398239 1280914717 /nfs/dbraw/zinc/91/47/17/1280914717.db2.gz MZEFPKHMINGYDQ-HOTGVXAUSA-N 2 0 329.916 2.878 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610138 1280951370 /nfs/dbraw/zinc/95/13/70/1280951370.db2.gz HTMXLDDYMIINLP-ROUUACIJSA-N 2 0 335.536 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613697 1280952979 /nfs/dbraw/zinc/95/29/79/1280952979.db2.gz UPBNRSHUSXSBPB-ROUUACIJSA-N 2 0 347.547 2.785 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146624969 1280957024 /nfs/dbraw/zinc/95/70/24/1280957024.db2.gz SPIOBWJKABEIIO-LSDHHAIUSA-N 2 0 337.895 2.987 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146624967 1280957106 /nfs/dbraw/zinc/95/71/06/1280957106.db2.gz SPIOBWJKABEIIO-GJZGRUSLSA-N 2 0 337.895 2.987 20 30 EFEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146700838 1280980785 /nfs/dbraw/zinc/98/07/85/1280980785.db2.gz IGCWVFTXAWNRJZ-CVEARBPZSA-N 2 0 333.476 2.631 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541794 1281198643 /nfs/dbraw/zinc/19/86/43/1281198643.db2.gz XJFNLWVVCIUQBJ-QZTJIDSGSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541693 1281198703 /nfs/dbraw/zinc/19/87/03/1281198703.db2.gz XJFNLWVVCIUQBJ-MSOLQXFVSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147572702 1281210013 /nfs/dbraw/zinc/21/00/13/1281210013.db2.gz KKAWXRLUPVQADS-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001147780367 1281280617 /nfs/dbraw/zinc/28/06/17/1281280617.db2.gz JLXRPIIQGXASOY-SFHVURJKSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017449 1281387200 /nfs/dbraw/zinc/38/72/00/1281387200.db2.gz OMOIHFQVQIVQST-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226976 1281463031 /nfs/dbraw/zinc/46/30/31/1281463031.db2.gz ZUBAGBFWYVQGIR-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148285091 1281494796 /nfs/dbraw/zinc/49/47/96/1281494796.db2.gz MEOOVSQSJBNTBL-SFHVURJKSA-N 2 0 335.536 2.833 20 30 EFEDRP C=CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590647 1281664149 /nfs/dbraw/zinc/66/41/49/1281664149.db2.gz JXZLUQJCYVFCIE-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001148893883 1281794292 /nfs/dbraw/zinc/79/42/92/1281794292.db2.gz UOKJMYDGWXKKNP-UHFFFAOYSA-N 2 0 341.499 2.619 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921486 1281932395 /nfs/dbraw/zinc/93/23/95/1281932395.db2.gz QQSUHXNFVDKWCQ-RBUKOAKNSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086924939 1281942926 /nfs/dbraw/zinc/94/29/26/1281942926.db2.gz GXXHZYRSAUGNLG-CEXWTWQISA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927303 1281949669 /nfs/dbraw/zinc/94/96/69/1281949669.db2.gz YJWNCFNDJYSBPT-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941170 1281968456 /nfs/dbraw/zinc/96/84/56/1281968456.db2.gz LGNDCZNCPTZSKM-SFHVURJKSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942159 1281971476 /nfs/dbraw/zinc/97/14/76/1281971476.db2.gz KIIKALBKWJOMSO-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942390 1281971640 /nfs/dbraw/zinc/97/16/40/1281971640.db2.gz PQUBENDNOBEBQI-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942107 1281971995 /nfs/dbraw/zinc/97/19/95/1281971995.db2.gz JBDXLBAVVYKYJG-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001086951645 1282014432 /nfs/dbraw/zinc/01/44/32/1282014432.db2.gz LQKZLUZCLZZXFS-SFHVURJKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957149 1282028832 /nfs/dbraw/zinc/02/88/32/1282028832.db2.gz GEPOPTLDMUKCLB-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809891 1282140823 /nfs/dbraw/zinc/14/08/23/1282140823.db2.gz ZEKXPFQKWDECSR-DYXWJJEUSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608099 1282844296 /nfs/dbraw/zinc/84/42/96/1282844296.db2.gz ILNOOSKWJCIXPK-CEXWTWQISA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132156737 1283060835 /nfs/dbraw/zinc/06/08/35/1283060835.db2.gz IILUEBQAAGBGGA-RDJZCZTQSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141017 1283066952 /nfs/dbraw/zinc/06/69/52/1283066952.db2.gz NXGPFYKMWIHXHF-ZWKOTPCHSA-N 2 0 344.503 2.843 20 30 EFEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132142184 1283067838 /nfs/dbraw/zinc/06/78/38/1283067838.db2.gz YZCMTBSXYNTRRM-IRXDYDNUSA-N 2 0 333.520 2.632 20 30 EFEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132142185 1283068396 /nfs/dbraw/zinc/06/83/96/1283068396.db2.gz YZCMTBSXYNTRRM-SJORKVTESA-N 2 0 333.520 2.632 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907405 1283084153 /nfs/dbraw/zinc/08/41/53/1283084153.db2.gz LYWHNUSBGYUNOC-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173345 1283086692 /nfs/dbraw/zinc/08/66/92/1283086692.db2.gz LEWVCGYGMSWENB-NVXWUHKLSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056947 1283190990 /nfs/dbraw/zinc/19/09/90/1283190990.db2.gz XCGBDKSKMSYCPR-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093121165 1283263044 /nfs/dbraw/zinc/26/30/44/1283263044.db2.gz YPUVNFIHZYNHIY-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755582 1283428561 /nfs/dbraw/zinc/42/85/61/1283428561.db2.gz ZFIXLOZTEQGNNJ-PKOBYXMFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759319 1283462973 /nfs/dbraw/zinc/46/29/73/1283462973.db2.gz JWTCEYQZTDKFFE-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762211 1283477957 /nfs/dbraw/zinc/47/79/57/1283477957.db2.gz HADVVKDZBVOQEH-HKUYNNGSSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762621 1283479095 /nfs/dbraw/zinc/47/90/95/1283479095.db2.gz LVVSZDMIHDWDGI-RDJZCZTQSA-N 2 0 344.846 2.623 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222910 1283512109 /nfs/dbraw/zinc/51/21/09/1283512109.db2.gz SDMUWGVUJHALBK-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176025123 1287660598 /nfs/dbraw/zinc/66/05/98/1287660598.db2.gz YEHFHDDHZLAKBU-LJQANCHMSA-N 2 0 343.515 2.645 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176024168 1287661380 /nfs/dbraw/zinc/66/13/80/1287661380.db2.gz MHYSOHQAQNJQNI-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801283 1283768144 /nfs/dbraw/zinc/76/81/44/1283768144.db2.gz JDZNCVJMGJADFE-AEFFLSMTSA-N 2 0 345.487 2.844 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC/C=C/CC)C2)CC1 ZINC001132518645 1283779688 /nfs/dbraw/zinc/77/96/88/1283779688.db2.gz MBUNGTBRALHSIV-YKMDAGRBSA-N 2 0 345.531 2.657 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518636 1283779932 /nfs/dbraw/zinc/77/99/32/1283779932.db2.gz LZVJSNCXMUFHNJ-QUCCMNQESA-N 2 0 347.547 2.737 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371196 1283807044 /nfs/dbraw/zinc/80/70/44/1283807044.db2.gz LUUGOMDEGHQJFQ-RBUKOAKNSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093384020 1283859325 /nfs/dbraw/zinc/85/93/25/1283859325.db2.gz SOTJZGYQLBAIEJ-RBUKOAKNSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000815652597 1287672037 /nfs/dbraw/zinc/67/20/37/1287672037.db2.gz JMENJTBECYBPAP-YPAWHYETSA-N 2 0 339.527 2.832 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036842186 1284242238 /nfs/dbraw/zinc/24/22/38/1284242238.db2.gz LJEAMIXLLKDJGH-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132823661 1284333918 /nfs/dbraw/zinc/33/39/18/1284333918.db2.gz KBSDKZONBXTBBL-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132870127 1284404538 /nfs/dbraw/zinc/40/45/38/1284404538.db2.gz QLVQEJWMSWEPDV-DOTOQJQBSA-N 2 0 347.528 2.521 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001176112602 1287713429 /nfs/dbraw/zinc/71/34/29/1287713429.db2.gz WTVFUCOMKCMENC-MOPGFXCFSA-N 2 0 335.536 2.929 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112001 1287713663 /nfs/dbraw/zinc/71/36/63/1287713663.db2.gz LRBXLRFOANQLGO-NQIIRXRSSA-N 2 0 343.515 2.751 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132932136 1284484747 /nfs/dbraw/zinc/48/47/47/1284484747.db2.gz HAKGPTFHPCZOAG-MSOLQXFVSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937042 1284488918 /nfs/dbraw/zinc/48/89/18/1284488918.db2.gz FWURJJMDNFAFCC-GOEBONIOSA-N 2 0 326.444 2.517 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132938319 1284490851 /nfs/dbraw/zinc/49/08/51/1284490851.db2.gz TYPADQPTLHFMJG-RDJZCZTQSA-N 2 0 340.471 2.907 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973916 1284533636 /nfs/dbraw/zinc/53/36/36/1284533636.db2.gz SVIXMBGAKBRICV-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133011148 1284652037 /nfs/dbraw/zinc/65/20/37/1284652037.db2.gz GRNFMAPMPIBIRK-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133011147 1284652307 /nfs/dbraw/zinc/65/23/07/1284652307.db2.gz GRNFMAPMPIBIRK-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011368 1284654139 /nfs/dbraw/zinc/65/41/39/1284654139.db2.gz IZGVMRHVXFCVGT-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133038893 1284664229 /nfs/dbraw/zinc/66/42/29/1284664229.db2.gz HMMPLENEOIQZHC-HOCLYGCPSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133039651 1284666435 /nfs/dbraw/zinc/66/64/35/1284666435.db2.gz UBWSVLGZZZRJCA-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153921 1284789504 /nfs/dbraw/zinc/78/95/04/1284789504.db2.gz SBKDWOWRDUWZOQ-RDGPPVDQSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162524 1284916360 /nfs/dbraw/zinc/91/63/60/1284916360.db2.gz NHUVJFGVQICGPT-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162595 1284917130 /nfs/dbraw/zinc/91/71/30/1284917130.db2.gz OQOPURAYQHPQMB-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185669 1284951695 /nfs/dbraw/zinc/95/16/95/1284951695.db2.gz HBFQPCBMEPYFDZ-RBUKOAKNSA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133194473 1284971601 /nfs/dbraw/zinc/97/16/01/1284971601.db2.gz GJYCGWDQKJVBDF-MOPGFXCFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133194937 1284972589 /nfs/dbraw/zinc/97/25/89/1284972589.db2.gz NEMNJMLTFCMRQO-WBVHZDCISA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094429883 1285072639 /nfs/dbraw/zinc/07/26/39/1285072639.db2.gz AAPQGCQWXZWPNI-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430201 1285073207 /nfs/dbraw/zinc/07/32/07/1285073207.db2.gz HKJTUKPPXLOKNE-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498747 1285161336 /nfs/dbraw/zinc/16/13/36/1285161336.db2.gz TZOYFHLVXZIQII-YLJYHZDGSA-N 2 0 345.487 2.892 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498515 1285161710 /nfs/dbraw/zinc/16/17/10/1285161710.db2.gz KTQNGHFQPSOBQP-VQIMIIECSA-N 2 0 331.460 2.502 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333532 1285209772 /nfs/dbraw/zinc/20/97/72/1285209772.db2.gz IVNDINNHFGVFSJ-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333533 1285210200 /nfs/dbraw/zinc/21/02/00/1285210200.db2.gz IVNDINNHFGVFSJ-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCCCC)C2)CC1 ZINC001133337228 1285215095 /nfs/dbraw/zinc/21/50/95/1285215095.db2.gz KKOBLSVWJXRHDH-QUCCMNQESA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133338234 1285218051 /nfs/dbraw/zinc/21/80/51/1285218051.db2.gz UHFSPPPNJJBVGY-DOTOQJQBSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133338770 1285218550 /nfs/dbraw/zinc/21/85/50/1285218550.db2.gz YRDJDPIIUHVJQC-DOTOQJQBSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133341617 1285221181 /nfs/dbraw/zinc/22/11/81/1285221181.db2.gz JIBMSRYRGOZCJB-AEFFLSMTSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001133358667 1285255205 /nfs/dbraw/zinc/25/52/05/1285255205.db2.gz CGQGCUROODFLHH-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529202 1285257551 /nfs/dbraw/zinc/25/75/51/1285257551.db2.gz LIGWEPSWRQNISB-SFHLNBCPSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001133398380 1285316699 /nfs/dbraw/zinc/31/66/99/1285316699.db2.gz SUEYVIWDLFEICG-SFHVURJKSA-N 2 0 349.906 2.784 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001133399394 1285322974 /nfs/dbraw/zinc/32/29/74/1285322974.db2.gz LZVWPERXLURFCW-GOSISDBHSA-N 2 0 349.906 2.929 20 30 EFEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001133399427 1285323084 /nfs/dbraw/zinc/32/30/84/1285323084.db2.gz NDPDOSHHTSCPMP-UHFFFAOYSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133403960 1285356497 /nfs/dbraw/zinc/35/64/97/1285356497.db2.gz RJUUVWYTGZTAIK-QAPCUYQASA-N 2 0 349.906 2.642 20 30 EFEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CCC ZINC001133410359 1285369466 /nfs/dbraw/zinc/36/94/66/1285369466.db2.gz AXFWOYNNBPNTMM-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)CCC ZINC001133410531 1285371703 /nfs/dbraw/zinc/37/17/03/1285371703.db2.gz LQZMLPOHRMXYNZ-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001133410456 1285372446 /nfs/dbraw/zinc/37/24/46/1285372446.db2.gz GUQULKIHOYJGAU-KRWDZBQOSA-N 2 0 349.906 2.786 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161477 1285500869 /nfs/dbraw/zinc/50/08/69/1285500869.db2.gz GVTRSEUASRHHPE-XWSJACJDSA-N 2 0 333.520 2.795 20 30 EFEDRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001171498925 1285584221 /nfs/dbraw/zinc/58/42/21/1285584221.db2.gz DAWGZDOROIZGCW-QFBILLFUSA-N 2 0 344.503 2.663 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618487 1285681228 /nfs/dbraw/zinc/68/12/28/1285681228.db2.gz KSOTYNQBFOHSBF-KRWDZBQOSA-N 2 0 335.536 2.927 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171772650 1285779721 /nfs/dbraw/zinc/77/97/21/1285779721.db2.gz UKURYGKYTYQYAJ-MRXNPFEDSA-N 2 0 341.459 2.722 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171811816 1285826711 /nfs/dbraw/zinc/82/67/11/1285826711.db2.gz IDSWFNAIEPRPKW-AWEZNQCLSA-N 2 0 334.851 2.965 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918213 1285902569 /nfs/dbraw/zinc/90/25/69/1285902569.db2.gz MSTVLKWPJGLBNG-GOSISDBHSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172120863 1286030214 /nfs/dbraw/zinc/03/02/14/1286030214.db2.gz GPTOQUIKQLTZEF-LJDSDSDDSA-N 2 0 334.504 2.828 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000813752723 1286090074 /nfs/dbraw/zinc/09/00/74/1286090074.db2.gz MDEXXJRVIKUOQR-LJQANCHMSA-N 2 0 331.504 2.722 20 30 EFEDRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172320616 1286098780 /nfs/dbraw/zinc/09/87/80/1286098780.db2.gz XBSSWXRNNGWWAS-LJQANCHMSA-N 2 0 342.531 2.839 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)CCNCCC(C)(C)[NH3+] ZINC001172299117 1286111354 /nfs/dbraw/zinc/11/13/54/1286111354.db2.gz JKFUJOVUDXMEGE-MRXNPFEDSA-N 2 0 330.520 2.965 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(C)(C)CCNCCC(C)(C)[NH3+] ZINC001172299115 1286111723 /nfs/dbraw/zinc/11/17/23/1286111723.db2.gz JKFUJOVUDXMEGE-INIZCTEOSA-N 2 0 330.520 2.965 20 30 EFEDRP C[C@@H](CCCC#N)[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001172497641 1286171585 /nfs/dbraw/zinc/17/15/85/1286171585.db2.gz DSCAVCBROKEGRZ-KRWDZBQOSA-N 2 0 329.492 2.809 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094934189 1286224681 /nfs/dbraw/zinc/22/46/81/1286224681.db2.gz YSYNQZJVTOFNBU-XIRDDKMYSA-N 2 0 347.528 2.969 20 30 EFEDRP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968753 1286357949 /nfs/dbraw/zinc/35/79/49/1286357949.db2.gz SSSYNEVVAMOZDB-HOTGVXAUSA-N 2 0 338.496 2.600 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001095030277 1286432754 /nfs/dbraw/zinc/43/27/54/1286432754.db2.gz IYDRPDVZBYPWOB-UHOSZYNNSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001095061398 1286471362 /nfs/dbraw/zinc/47/13/62/1286471362.db2.gz VQBPKJXLEGIXAB-IHPCNDPISA-N 2 0 341.499 2.907 20 30 EFEDRP N#CCC1CCC([NH2+]CC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173334659 1286528968 /nfs/dbraw/zinc/52/89/68/1286528968.db2.gz VPVXOZWXMQBCSO-UHFFFAOYSA-N 2 0 346.519 2.525 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173339134 1286529829 /nfs/dbraw/zinc/52/98/29/1286529829.db2.gz DNVCWYOIOJIMPK-UHFFFAOYSA-N 2 0 330.520 2.750 20 30 EFEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001173317293 1286538198 /nfs/dbraw/zinc/53/81/98/1286538198.db2.gz UMHDWCQKPJGPHM-UHFFFAOYSA-N 2 0 336.520 2.981 20 30 EFEDRP CCOC(=O)C[C@@H]1CC[C@H](N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)C1 ZINC001173635417 1286733105 /nfs/dbraw/zinc/73/31/05/1286733105.db2.gz AERVGIMWWRQJQT-QAPCUYQASA-N 2 0 331.460 2.775 20 30 EFEDRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001179400859 1289123006 /nfs/dbraw/zinc/12/30/06/1289123006.db2.gz ZTVUANBFZGSEKL-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774256 1287171041 /nfs/dbraw/zinc/17/10/41/1287171041.db2.gz WWPJSWQRVWOBFT-HOTGVXAUSA-N 2 0 344.503 2.661 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001134773997 1287171806 /nfs/dbraw/zinc/17/18/06/1287171806.db2.gz TZOYBOVPDAKKBB-CVEARBPZSA-N 2 0 344.503 2.661 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728392 1312671054 /nfs/dbraw/zinc/67/10/54/1312671054.db2.gz QRMVMVQSQJXSLX-CVEARBPZSA-N 2 0 339.911 2.632 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176279664 1287921130 /nfs/dbraw/zinc/92/11/30/1287921130.db2.gz PDYLHDMPQNBSAM-IBGZPJMESA-N 2 0 343.515 2.645 20 30 EFEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001135373893 1287979754 /nfs/dbraw/zinc/97/97/54/1287979754.db2.gz ZJLLTFGCDDNFTC-HOTGVXAUSA-N 2 0 349.906 2.516 20 30 EFEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481203 1288036866 /nfs/dbraw/zinc/03/68/66/1288036866.db2.gz RGOBHBJMVMRYGQ-QZTJIDSGSA-N 2 0 331.504 2.610 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CC)CC1 ZINC001176737061 1288087309 /nfs/dbraw/zinc/08/73/09/1288087309.db2.gz GMBYKEAEKLQFDK-RURPWVQCSA-N 2 0 347.547 2.953 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176736798 1288087952 /nfs/dbraw/zinc/08/79/52/1288087952.db2.gz FIJVREGUTHONLT-INIZCTEOSA-N 2 0 329.916 2.880 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CC)CC1 ZINC001176737060 1288088170 /nfs/dbraw/zinc/08/81/70/1288088170.db2.gz GMBYKEAEKLQFDK-OVKVCFKUSA-N 2 0 347.547 2.953 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001176809548 1288131329 /nfs/dbraw/zinc/13/13/29/1288131329.db2.gz BTKYTCBQJMNLPI-MRXNPFEDSA-N 2 0 333.476 2.633 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001177319522 1288387682 /nfs/dbraw/zinc/38/76/82/1288387682.db2.gz NTXPEZVZGPGNFA-LJQANCHMSA-N 2 0 333.520 2.513 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001177323739 1288389229 /nfs/dbraw/zinc/38/92/29/1288389229.db2.gz FNLBNOQTAMTPPO-VQTJNVASSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001177378617 1288408334 /nfs/dbraw/zinc/40/83/34/1288408334.db2.gz GIMVBNOGTVMHQA-UHFFFAOYSA-N 2 0 347.547 2.883 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC)[NH+](CC)CC ZINC001177413013 1288422841 /nfs/dbraw/zinc/42/28/41/1288422841.db2.gz NIKXWFXHXUBRGG-IBGZPJMESA-N 2 0 335.536 2.739 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001177416103 1288424254 /nfs/dbraw/zinc/42/42/54/1288424254.db2.gz UMIFJTDTDUZCTE-UHFFFAOYSA-N 2 0 349.563 2.986 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440574 1288442589 /nfs/dbraw/zinc/44/25/89/1288442589.db2.gz LVXPZTWCAXJYTQ-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001177484585 1288445637 /nfs/dbraw/zinc/44/56/37/1288445637.db2.gz GPUBFYKKGMTEFT-KDURUIRLSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165736118 1312672330 /nfs/dbraw/zinc/67/23/30/1312672330.db2.gz HRVLZOQUKKYMHE-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135960636 1288701382 /nfs/dbraw/zinc/70/13/82/1288701382.db2.gz FQEDLLNLUBNVCL-OALUTQOASA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178467918 1288794699 /nfs/dbraw/zinc/79/46/99/1288794699.db2.gz LABZNWQZTSUVNY-MRXNPFEDSA-N 2 0 329.916 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483890 1288801440 /nfs/dbraw/zinc/80/14/40/1288801440.db2.gz JNBVFMRXZDYJPG-IAGOWNOFSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634448 1288846545 /nfs/dbraw/zinc/84/65/45/1288846545.db2.gz VGVQTEOPHGBFIS-MRXNPFEDSA-N 2 0 329.916 2.880 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178722693 1288867898 /nfs/dbraw/zinc/86/78/98/1288867898.db2.gz NRSTWOBXNPPZKW-FQEVSTJZSA-N 2 0 345.531 2.851 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C/CC ZINC001178722848 1288868280 /nfs/dbraw/zinc/86/82/80/1288868280.db2.gz QSQXUPDYEMXCOF-UEKDZROGSA-N 2 0 333.520 2.707 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716529 1288885874 /nfs/dbraw/zinc/88/58/74/1288885874.db2.gz RXNRNVSTFQXLEE-WDSOQIARSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179024835 1289010591 /nfs/dbraw/zinc/01/05/91/1289010591.db2.gz APMKQRQPCLRISU-LNLFQRSKSA-N 2 0 344.503 2.842 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179589837 1289191101 /nfs/dbraw/zinc/19/11/01/1289191101.db2.gz CORAWBODWLFINC-UHFFFAOYSA-N 2 0 343.515 2.694 20 30 EFEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001179592587 1289193538 /nfs/dbraw/zinc/19/35/38/1289193538.db2.gz IOAATKJYXJCROO-UHFFFAOYSA-N 2 0 331.504 2.613 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609551 1289197902 /nfs/dbraw/zinc/19/79/02/1289197902.db2.gz VWQKNGUXLCHBHD-AWEZNQCLSA-N 2 0 348.329 2.501 20 30 EFEDRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179992237 1289357974 /nfs/dbraw/zinc/35/79/74/1289357974.db2.gz QCVQNAFRVSJFSX-UHFFFAOYSA-N 2 0 343.515 2.646 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001180039710 1289392059 /nfs/dbraw/zinc/39/20/59/1289392059.db2.gz IEBHVZPSEHYGEH-OAQYLSRUSA-N 2 0 343.515 2.753 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001180204443 1289442352 /nfs/dbraw/zinc/44/23/52/1289442352.db2.gz SBVWMNCVKUWOAH-BJLQDIEVSA-N 2 0 347.547 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171061067 1289735423 /nfs/dbraw/zinc/73/54/23/1289735423.db2.gz QCEXPQNOJIUHDK-CABCVRRESA-N 2 0 335.895 2.683 20 30 EFEDRP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695411 1312752756 /nfs/dbraw/zinc/75/27/56/1312752756.db2.gz YTMOQTFLLXQNEL-HXUWFJFHSA-N 2 0 335.455 2.784 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623338 1290225810 /nfs/dbraw/zinc/22/58/10/1290225810.db2.gz IRVFKAYCVSQNJC-YLJYHZDGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001182897240 1290273637 /nfs/dbraw/zinc/27/36/37/1290273637.db2.gz RWPICFYZSLJXOP-OXQOHEQNSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182973191 1290287630 /nfs/dbraw/zinc/28/76/30/1290287630.db2.gz AJVADIULQTXOJR-GOEBONIOSA-N 2 0 335.517 2.969 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001183138384 1290302605 /nfs/dbraw/zinc/30/26/05/1290302605.db2.gz SPSBQUSAKHKMTG-SLYNCCJLSA-N 2 0 343.515 2.940 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184651571 1290488335 /nfs/dbraw/zinc/48/83/35/1290488335.db2.gz GGMXEVDATFNGOU-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184651569 1290488674 /nfs/dbraw/zinc/48/86/74/1290488674.db2.gz GGMXEVDATFNGOU-OALUTQOASA-N 2 0 347.547 2.903 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184682255 1290499445 /nfs/dbraw/zinc/49/94/45/1290499445.db2.gz CEGIUXJFLSBAQC-ZWKOTPCHSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821481 1290530451 /nfs/dbraw/zinc/53/04/51/1290530451.db2.gz KPMKXHPIOQJTIZ-IAGOWNOFSA-N 2 0 340.471 2.988 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892549 1290539359 /nfs/dbraw/zinc/53/93/59/1290539359.db2.gz QKCDTWHNOIURNE-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892104 1290539461 /nfs/dbraw/zinc/53/94/61/1290539461.db2.gz MYVOJIQUXKQHIP-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185087350 1290583652 /nfs/dbraw/zinc/58/36/52/1290583652.db2.gz YHMQOBBQXFUFNS-ROUUACIJSA-N 2 0 325.541 2.983 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171196 1290608732 /nfs/dbraw/zinc/60/87/32/1290608732.db2.gz URRUGMYBWVEPTA-ZBFHGGJFSA-N 2 0 343.943 2.791 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185517359 1290697465 /nfs/dbraw/zinc/69/74/65/1290697465.db2.gz QRIHLNWRLLVBOK-IRXDYDNUSA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185517843 1290697709 /nfs/dbraw/zinc/69/77/09/1290697709.db2.gz UFBUZRAMLMVSCS-GDBMZVCRSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185681207 1290735218 /nfs/dbraw/zinc/73/52/18/1290735218.db2.gz JYKNDXCDKHCNHW-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709432 1290749863 /nfs/dbraw/zinc/74/98/63/1290749863.db2.gz HGHXVLYXDPXBPK-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCCC)[C@@H](C)C2)CC1 ZINC001185728264 1290752724 /nfs/dbraw/zinc/75/27/24/1290752724.db2.gz DJPFEGOJFOFOHA-AZUAARDMSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185741110 1290753902 /nfs/dbraw/zinc/75/39/02/1290753902.db2.gz HMLBPCVERIAJCT-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687792 1312820318 /nfs/dbraw/zinc/82/03/18/1312820318.db2.gz ZXKQSTPGDWHWSO-YJBOKZPZSA-N 2 0 327.488 2.650 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232495 1290965907 /nfs/dbraw/zinc/96/59/07/1290965907.db2.gz WMPNSKCICIEXBT-SJORKVTESA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776472 1291019178 /nfs/dbraw/zinc/01/91/78/1291019178.db2.gz NXHCDPDIJLCZQU-ROUUACIJSA-N 2 0 349.906 2.827 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186981659 1291068971 /nfs/dbraw/zinc/06/89/71/1291068971.db2.gz UPHMYLAGSGAMIC-QFBILLFUSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248848598 1291228283 /nfs/dbraw/zinc/22/82/83/1291228283.db2.gz SNMXZZMOMWOBFM-RBUKOAKNSA-N 2 0 333.520 2.586 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944691 1291270086 /nfs/dbraw/zinc/27/00/86/1291270086.db2.gz NZHLNCGIASGVMY-XUVXKRRUSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166803805 1312844192 /nfs/dbraw/zinc/84/41/92/1312844192.db2.gz XKWBFAFEYHTKJG-SFHVURJKSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001188086046 1291310027 /nfs/dbraw/zinc/31/00/27/1291310027.db2.gz WVDRIXVQJFODGN-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001188714543 1291449730 /nfs/dbraw/zinc/44/97/30/1291449730.db2.gz COGALOQDRCSXCU-ZWKOTPCHSA-N 2 0 330.476 2.552 20 30 EFEDRP CC(=O)[C@](C#N)(CCN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126208 1291509635 /nfs/dbraw/zinc/50/96/35/1291509635.db2.gz UQGHQNRXAUMOJQ-TZIWHRDSSA-N 2 0 339.483 2.845 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188895046 1291512257 /nfs/dbraw/zinc/51/22/57/1291512257.db2.gz FJWPAYJKFXJDBS-IPMKNSEASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317233 1291670291 /nfs/dbraw/zinc/67/02/91/1291670291.db2.gz KWTGPLMFECKOPS-NZSAHSFTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552023 1291751358 /nfs/dbraw/zinc/75/13/58/1291751358.db2.gz DMAYDJJJCPDQDJ-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552329 1291751665 /nfs/dbraw/zinc/75/16/65/1291751665.db2.gz JWTSKNFKYZNWNU-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560416 1291766187 /nfs/dbraw/zinc/76/61/87/1291766187.db2.gz ZLKBTYNOTOJMCO-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561174 1291768143 /nfs/dbraw/zinc/76/81/43/1291768143.db2.gz IEQVHNDYWHQHIO-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568288 1291779970 /nfs/dbraw/zinc/77/99/70/1291779970.db2.gz GUHYSQOGLFBONE-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605500 1291859484 /nfs/dbraw/zinc/85/94/84/1291859484.db2.gz GEOCWATUIKCWLN-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189788101 1291860834 /nfs/dbraw/zinc/86/08/34/1291860834.db2.gz SVNJKQVOIMXOFW-CEXWTWQISA-N 2 0 335.536 2.831 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623777 1312887429 /nfs/dbraw/zinc/88/74/29/1312887429.db2.gz GJEVNVXWJXYUTD-IEBWSBKVSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957620908 1291900737 /nfs/dbraw/zinc/90/07/37/1291900737.db2.gz ONJSSONJZCKBET-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)CC1 ZINC000957647737 1291959185 /nfs/dbraw/zinc/95/91/85/1291959185.db2.gz UINVNJIMKGIBMJ-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957647606 1291959752 /nfs/dbraw/zinc/95/97/52/1291959752.db2.gz OWRTUWMHPYLEKH-UHFFFAOYSA-N 2 0 345.531 2.590 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000957647435 1291960020 /nfs/dbraw/zinc/96/00/20/1291960020.db2.gz HZIXVLHHVLHXMS-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203310959 1312905019 /nfs/dbraw/zinc/90/50/19/1312905019.db2.gz KJJQDLJUBIHDQA-DLBZAZTESA-N 2 0 345.487 2.938 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312291 1312905883 /nfs/dbraw/zinc/90/58/83/1312905883.db2.gz RLGKHWPRZJIOBY-IAGOWNOFSA-N 2 0 345.487 2.938 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312292 1312905980 /nfs/dbraw/zinc/90/59/80/1312905980.db2.gz RLGKHWPRZJIOBY-IRXDYDNUSA-N 2 0 345.487 2.938 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016662538 1312911116 /nfs/dbraw/zinc/91/11/16/1312911116.db2.gz KMLYJELARBCSGC-QZTJIDSGSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016662539 1312911131 /nfs/dbraw/zinc/91/11/31/1312911131.db2.gz KMLYJELARBCSGC-ROUUACIJSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663381 1312911805 /nfs/dbraw/zinc/91/18/05/1312911805.db2.gz QGCRKQKQIWVPOH-RTBURBONSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462930 1312930144 /nfs/dbraw/zinc/93/01/44/1312930144.db2.gz UAUMDHXRJRGWJG-MSOLQXFVSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544077 1292562965 /nfs/dbraw/zinc/56/29/65/1292562965.db2.gz YCCFNWPTPKXXHH-GOSISDBHSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203505656 1312940774 /nfs/dbraw/zinc/94/07/74/1312940774.db2.gz FFKUVBJDDRLFKX-OALUTQOASA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203537359 1312949723 /nfs/dbraw/zinc/94/97/23/1312949723.db2.gz COAPFWOACNHPCH-ZWKOTPCHSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514427 1312950558 /nfs/dbraw/zinc/95/05/58/1312950558.db2.gz DXLUGSDWEBHMNT-VAMGGRTRSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016736429 1312951914 /nfs/dbraw/zinc/95/19/14/1312951914.db2.gz HGJDGFLCRLLQOF-GOSISDBHSA-N 2 0 338.455 2.885 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754559 1312960487 /nfs/dbraw/zinc/96/04/87/1312960487.db2.gz OMGDXRMHOKDQFG-RTBURBONSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049519698 1312958933 /nfs/dbraw/zinc/95/89/33/1312958933.db2.gz AQIVFLGILBCQOJ-CEXWTWQISA-N 2 0 333.520 2.891 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203607596 1312969695 /nfs/dbraw/zinc/96/96/95/1312969695.db2.gz XTIUIAWDZSDMDL-RBUKOAKNSA-N 2 0 347.547 2.929 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016793183 1312983130 /nfs/dbraw/zinc/98/31/30/1312983130.db2.gz GTRAQQSKTCJQIA-INIZCTEOSA-N 2 0 331.460 2.502 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544609 1312991621 /nfs/dbraw/zinc/99/16/21/1312991621.db2.gz DRJVDHYRPDQVGA-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544888 1312992027 /nfs/dbraw/zinc/99/20/27/1312992027.db2.gz HGIPGWLWPFJRNA-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546222 1312993860 /nfs/dbraw/zinc/99/38/60/1312993860.db2.gz PNNXJGZRKIYTNV-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770235 1313010329 /nfs/dbraw/zinc/01/03/29/1313010329.db2.gz FKGBMCXROMYWNX-CVEARBPZSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770236 1313010666 /nfs/dbraw/zinc/01/06/66/1313010666.db2.gz FKGBMCXROMYWNX-HOTGVXAUSA-N 2 0 339.911 2.632 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCCCCC)C2)CC1 ZINC001194245432 1293568750 /nfs/dbraw/zinc/56/87/50/1293568750.db2.gz AIGLZGFXXZSEHY-FQEVSTJZSA-N 2 0 347.547 2.835 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001194246447 1293569589 /nfs/dbraw/zinc/56/95/89/1293569589.db2.gz LZTAXLVSXYIKCO-LJQANCHMSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C2)CC1 ZINC001194247582 1293569785 /nfs/dbraw/zinc/56/97/85/1293569785.db2.gz XZZKGBOFHYPQCE-ICSRJNTNSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203771807 1313011838 /nfs/dbraw/zinc/01/18/38/1313011838.db2.gz PAXZYIFJLTZBRO-RTBURBONSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861007 1313015588 /nfs/dbraw/zinc/01/55/88/1313015588.db2.gz MJFPZOJOMWMCJN-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563108 1313018750 /nfs/dbraw/zinc/01/87/50/1313018750.db2.gz CDVCYZVNUOAGCE-RTBURBONSA-N 2 0 345.531 2.728 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562108 1313020743 /nfs/dbraw/zinc/02/07/43/1313020743.db2.gz UFFQBDOFBUOPJD-OALUTQOASA-N 2 0 338.455 2.898 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016876081 1313022046 /nfs/dbraw/zinc/02/20/46/1313022046.db2.gz DLFFLOIUDNAJMI-SFHVURJKSA-N 2 0 327.472 2.519 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571775 1313034314 /nfs/dbraw/zinc/03/43/14/1313034314.db2.gz GXTBSOCALDYMHB-RTBURBONSA-N 2 0 338.455 2.979 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016917057 1313041408 /nfs/dbraw/zinc/04/14/08/1313041408.db2.gz XXGMAWBVDOZHCT-IBGZPJMESA-N 2 0 345.531 2.655 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCCCCC)CC2)CC1 ZINC001203888438 1313041675 /nfs/dbraw/zinc/04/16/75/1313041675.db2.gz JSAZMFJAENXMTQ-UHFFFAOYSA-N 2 0 347.547 2.883 20 30 EFEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195875604 1294068499 /nfs/dbraw/zinc/06/84/99/1294068499.db2.gz IESIXTCYFLUBHW-IBGZPJMESA-N 2 0 335.536 2.833 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196026114 1294110451 /nfs/dbraw/zinc/11/04/51/1294110451.db2.gz ZKTXPBOWCSXNRZ-DLBZAZTESA-N 2 0 327.488 2.555 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155644 1294152647 /nfs/dbraw/zinc/15/26/47/1294152647.db2.gz PYJBKSKCZGNMQO-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001196310340 1294186022 /nfs/dbraw/zinc/18/60/22/1294186022.db2.gz QCAOAIPQTDFYMW-SFHVURJKSA-N 2 0 346.519 2.950 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275676 1294189664 /nfs/dbraw/zinc/18/96/64/1294189664.db2.gz LEKSQIJBFAEXPK-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275677 1294189676 /nfs/dbraw/zinc/18/96/76/1294189676.db2.gz LEKSQIJBFAEXPK-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388149 1294220744 /nfs/dbraw/zinc/22/07/44/1294220744.db2.gz DSWSNFXGRQBYFF-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001196507809 1294263475 /nfs/dbraw/zinc/26/34/75/1294263475.db2.gz QOEOHAIDZPKCSU-MRXNPFEDSA-N 2 0 326.444 2.837 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016982311 1313070597 /nfs/dbraw/zinc/07/05/97/1313070597.db2.gz FZHSECBHXYPTJR-SFHVURJKSA-N 2 0 327.472 2.519 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016985950 1313072639 /nfs/dbraw/zinc/07/26/39/1313072639.db2.gz NFEDLFOIRMYEJF-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSc1ccc(F)cc1 ZINC000303774835 1294578795 /nfs/dbraw/zinc/57/87/95/1294578795.db2.gz GEYINKOFWJWNEP-HNNXBMFYSA-N 2 0 338.496 2.697 20 30 EFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303778031 1294580116 /nfs/dbraw/zinc/58/01/16/1294580116.db2.gz JGUSPAWDTMRILP-ULQDDVLXSA-N 2 0 326.529 2.605 20 30 EFEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)CC1 ZINC000303793290 1294582926 /nfs/dbraw/zinc/58/29/26/1294582926.db2.gz ZJGYEJCFHQKGJQ-UHFFFAOYSA-N 2 0 346.544 2.782 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000303870727 1294593256 /nfs/dbraw/zinc/59/32/56/1294593256.db2.gz BJEJNNHWGWCBAR-ULQDDVLXSA-N 2 0 346.519 2.604 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000303879696 1294594977 /nfs/dbraw/zinc/59/49/77/1294594977.db2.gz GTCDGAXCUAFSAM-QGZVFWFLSA-N 2 0 332.492 2.543 20 30 EFEDRP CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303888128 1294598005 /nfs/dbraw/zinc/59/80/05/1294598005.db2.gz OSENARFDJFXYIW-IBGZPJMESA-N 2 0 346.519 2.791 20 30 EFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303898995 1294601004 /nfs/dbraw/zinc/60/10/04/1294601004.db2.gz VWEMUPHQXFBFFO-IEBWSBKVSA-N 2 0 328.504 2.598 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615561 1313089606 /nfs/dbraw/zinc/08/96/06/1313089606.db2.gz LKZSVLCILFZCQK-AQNXPRMDSA-N 2 0 345.531 2.892 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001276359838 1294630331 /nfs/dbraw/zinc/63/03/31/1294630331.db2.gz LNVTYOLALPQLKC-KDURUIRLSA-N 2 0 326.488 2.810 20 30 EFEDRP CC[C@H](C)NC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304012330 1294631486 /nfs/dbraw/zinc/63/14/86/1294631486.db2.gz HGAKNEJMSOWVQA-HOTGVXAUSA-N 2 0 332.492 2.589 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277851807 1313116578 /nfs/dbraw/zinc/11/65/78/1313116578.db2.gz ORDDWRRPPQXGDI-MOPGFXCFSA-N 2 0 335.536 2.879 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC001234402486 1313120297 /nfs/dbraw/zinc/12/02/97/1313120297.db2.gz LPLTYPSPONTSQE-IRXDYDNUSA-N 2 0 332.492 2.896 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001234402484 1313120756 /nfs/dbraw/zinc/12/07/56/1313120756.db2.gz LPLTYPSPONTSQE-IAGOWNOFSA-N 2 0 332.492 2.896 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198616560 1295149387 /nfs/dbraw/zinc/14/93/87/1295149387.db2.gz IUBNJOARYQDPHH-MSOLQXFVSA-N 2 0 345.487 2.503 20 30 EFEDRP N#Cc1ccccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204366768 1313130657 /nfs/dbraw/zinc/13/06/57/1313130657.db2.gz RVHSUXAYCDMDNT-UHFFFAOYSA-N 2 0 327.472 2.883 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1OC ZINC001198760450 1295236230 /nfs/dbraw/zinc/23/62/30/1295236230.db2.gz WXBKVCNTKYOYOI-QGZVFWFLSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1OC ZINC001198760449 1295236863 /nfs/dbraw/zinc/23/68/63/1295236863.db2.gz WXBKVCNTKYOYOI-KRWDZBQOSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198759774 1295238074 /nfs/dbraw/zinc/23/80/74/1295238074.db2.gz MCQMVURSHRSEAB-WMZOPIPTSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198774739 1295245321 /nfs/dbraw/zinc/24/53/21/1295245321.db2.gz ADUOVIBGQDSLPB-QGZVFWFLSA-N 2 0 347.503 2.749 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001276360407 1295275683 /nfs/dbraw/zinc/27/56/83/1295275683.db2.gz TURMKVLQTGKWLR-HXUWFJFHSA-N 2 0 326.488 2.954 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902873 1295303328 /nfs/dbraw/zinc/30/33/28/1295303328.db2.gz QYGGMQOITCPOEC-MSOLQXFVSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902874 1295304280 /nfs/dbraw/zinc/30/42/80/1295304280.db2.gz QYGGMQOITCPOEC-ROUUACIJSA-N 2 0 347.503 2.749 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902289 1295304822 /nfs/dbraw/zinc/30/48/22/1295304822.db2.gz JEVXRLAFRXKIEM-ROUUACIJSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885430 1295319269 /nfs/dbraw/zinc/31/92/69/1295319269.db2.gz HCDPDSWMPWSETQ-PKOBYXMFSA-N 2 0 347.503 2.604 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049669862 1313161924 /nfs/dbraw/zinc/16/19/24/1313161924.db2.gz BHBZRWMVHPLTAP-CADBVGFASA-N 2 0 333.520 2.748 20 30 EFEDRP CC[NH+](CC)Cc1ccccc1CNC(NCc1ccco1)=[NH+]C ZINC000103337710 1295685119 /nfs/dbraw/zinc/68/51/19/1295685119.db2.gz LLXIRVMHVSLUKB-UHFFFAOYSA-N 2 0 328.460 2.987 20 30 EFEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+](C)C ZINC000104161103 1295731495 /nfs/dbraw/zinc/73/14/95/1295731495.db2.gz QEBLKNBGWVGZJF-MRXNPFEDSA-N 2 0 348.491 2.941 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000304750818 1295748113 /nfs/dbraw/zinc/74/81/13/1295748113.db2.gz ISKMERGLTOPGQF-DOTOQJQBSA-N 2 0 332.492 2.577 20 30 EFEDRP Cc1nccn1CCCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000304742696 1295748200 /nfs/dbraw/zinc/74/82/00/1295748200.db2.gz CUXNLDAPKPDHGZ-UHFFFAOYSA-N 2 0 343.431 2.560 20 30 EFEDRP CCN(CC)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000304744701 1295748320 /nfs/dbraw/zinc/74/83/20/1295748320.db2.gz DTFCVMRRLZIVQU-INIZCTEOSA-N 2 0 349.498 2.561 20 30 EFEDRP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1ccccc1C ZINC000304757006 1295750574 /nfs/dbraw/zinc/75/05/74/1295750574.db2.gz OIYOUFHNOMBZFV-IRXDYDNUSA-N 2 0 332.492 2.541 20 30 EFEDRP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C12CCCCC2 ZINC000304805970 1295760883 /nfs/dbraw/zinc/76/08/83/1295760883.db2.gz RSTXQOBAWYGTNO-YESZJQIVSA-N 2 0 336.524 2.503 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C)c1 ZINC000304812685 1295761024 /nfs/dbraw/zinc/76/10/24/1295761024.db2.gz YGCJARRPICNCNM-UHFFFAOYSA-N 2 0 336.480 2.939 20 30 EFEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000305037210 1295838829 /nfs/dbraw/zinc/83/88/29/1295838829.db2.gz BPSRGGRJOHDMMB-LJQANCHMSA-N 2 0 328.504 2.742 20 30 EFEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])N2CCCCCC2)cc1 ZINC000305055490 1295861546 /nfs/dbraw/zinc/86/15/46/1295861546.db2.gz IZSRTBPJXRCVGO-UHFFFAOYSA-N 2 0 332.492 2.708 20 30 EFEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234977987 1313215929 /nfs/dbraw/zinc/21/59/29/1313215929.db2.gz FCFIHNLUZAHWEF-KDURUIRLSA-N 2 0 332.451 2.977 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC000903793788 1313224201 /nfs/dbraw/zinc/22/42/01/1313224201.db2.gz UODFSIAZFAUMEM-FQEVSTJZSA-N 2 0 335.451 2.584 20 30 EFEDRP CCCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275132067 1296235050 /nfs/dbraw/zinc/23/50/50/1296235050.db2.gz NKIKFSIBAUONKM-QZTJIDSGSA-N 2 0 335.536 2.879 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cc1 ZINC001275132341 1296236103 /nfs/dbraw/zinc/23/61/03/1296236103.db2.gz QVSDPIMTVJOXGM-UHFFFAOYSA-N 2 0 325.500 2.517 20 30 EFEDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001275588326 1296316617 /nfs/dbraw/zinc/31/66/17/1296316617.db2.gz AGZGCVUIFGXFRC-IBGZPJMESA-N 2 0 346.544 2.859 20 30 EFEDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001275969020 1296464044 /nfs/dbraw/zinc/46/40/44/1296464044.db2.gz WYYCKFMHDJGNBJ-OAQYLSRUSA-N 2 0 340.515 2.798 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205313938 1313268683 /nfs/dbraw/zinc/26/86/83/1313268683.db2.gz MKTQPIQIBGEIQO-FQEVSTJZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205315023 1313269291 /nfs/dbraw/zinc/26/92/91/1313269291.db2.gz YIYPGSNERBMMBM-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043464 1296558422 /nfs/dbraw/zinc/55/84/22/1296558422.db2.gz DSDRLGIBFRGKOE-MSOLQXFVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052588 1296565923 /nfs/dbraw/zinc/56/59/23/1296565923.db2.gz GPSYZOHDHRFQTO-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415965 1313284583 /nfs/dbraw/zinc/28/45/83/1313284583.db2.gz RWSLBPJJSCJDCN-AEFFLSMTSA-N 2 0 341.515 2.849 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205429803 1313286992 /nfs/dbraw/zinc/28/69/92/1313286992.db2.gz ZVBKRXJZNKVFFQ-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000960263353 1296668744 /nfs/dbraw/zinc/66/87/44/1296668744.db2.gz VHPLEXKZFUGKRG-HSALFYBXSA-N 2 0 341.499 2.807 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201261295 1296691983 /nfs/dbraw/zinc/69/19/83/1296691983.db2.gz PCCCKFKUQRFBHY-GOSISDBHSA-N 2 0 341.540 2.506 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960311692 1296727852 /nfs/dbraw/zinc/72/78/52/1296727852.db2.gz DLHBZZWTFOTDNG-NSISKUIASA-N 2 0 341.499 2.809 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960311698 1296727967 /nfs/dbraw/zinc/72/79/67/1296727967.db2.gz DLHBZZWTFOTDNG-PWIZWCRZSA-N 2 0 341.499 2.809 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000960314103 1296730003 /nfs/dbraw/zinc/73/00/03/1296730003.db2.gz MDROSPLZEKQCST-NHCUHLMSSA-N 2 0 349.478 2.920 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789042 1313302779 /nfs/dbraw/zinc/30/27/79/1313302779.db2.gz UYNDZQKGWYTGRZ-RTBURBONSA-N 2 0 327.472 2.613 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518787 1313303906 /nfs/dbraw/zinc/30/39/06/1313303906.db2.gz KQLOIKQVDRHFRY-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462077 1296828499 /nfs/dbraw/zinc/82/84/99/1296828499.db2.gz JGKZNZYDKPYPND-HNNXBMFYSA-N 2 0 326.444 2.883 20 30 EFEDRP CC(=O)Nc1ccc(C[NH+]2CC3(C2)CC[NH+](CCCC#N)CC3)cc1 ZINC001277943101 1313315855 /nfs/dbraw/zinc/31/58/55/1313315855.db2.gz NKYAOKJFHQSWEK-UHFFFAOYSA-N 2 0 340.471 2.847 20 30 EFEDRP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](CCCC#N)CC3)C2)cc1C#N ZINC001277943205 1313316039 /nfs/dbraw/zinc/31/60/39/1313316039.db2.gz PFCSBKXRUUIPKP-UHFFFAOYSA-N 2 0 339.487 2.879 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001205581741 1313317521 /nfs/dbraw/zinc/31/75/21/1313317521.db2.gz MEIDXLQTCUZZRQ-UHFFFAOYSA-N 2 0 344.503 2.702 20 30 EFEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429087 1313318872 /nfs/dbraw/zinc/31/88/72/1313318872.db2.gz WVWRSAHKUBBXLB-RTBURBONSA-N 2 0 342.483 2.919 20 30 EFEDRP Cc1cc(C#N)c(F)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201667187 1296980372 /nfs/dbraw/zinc/98/03/72/1296980372.db2.gz CJVVYIYDPZIXKB-UHFFFAOYSA-N 2 0 325.391 2.896 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201677418 1296986344 /nfs/dbraw/zinc/98/63/44/1296986344.db2.gz BEKCIHHYJMOROH-GOSISDBHSA-N 2 0 341.540 2.506 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201677419 1296986731 /nfs/dbraw/zinc/98/67/31/1296986731.db2.gz BEKCIHHYJMOROH-SFHVURJKSA-N 2 0 341.540 2.506 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCCCC ZINC001235473286 1313332303 /nfs/dbraw/zinc/33/23/03/1313332303.db2.gz UZKOZAGQTJHFKS-MOPGFXCFSA-N 2 0 333.520 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818797 1313339331 /nfs/dbraw/zinc/33/93/31/1313339331.db2.gz AMKGNGUTHGDESF-MOPGFXCFSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820904 1313342202 /nfs/dbraw/zinc/34/22/02/1313342202.db2.gz PKJIAOHPGHAKPJ-RTBURBONSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201817701 1297096484 /nfs/dbraw/zinc/09/64/84/1297096484.db2.gz CVXWEFIZYHVSAX-UHFFFAOYSA-N 2 0 341.927 2.974 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001205759453 1313351197 /nfs/dbraw/zinc/35/11/97/1313351197.db2.gz PJIQWFAKUJJLNN-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206006970 1313390451 /nfs/dbraw/zinc/39/04/51/1313390451.db2.gz UQIDBEOVBPZXDD-KRWDZBQOSA-N 2 0 341.927 2.689 20 30 EFEDRP C#CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)[C@@H]1CCc2ccccc21 ZINC001235835608 1313406308 /nfs/dbraw/zinc/40/63/08/1313406308.db2.gz ZDYQFRKJPBCYOX-OAQYLSRUSA-N 2 0 346.478 2.614 20 30 EFEDRP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206282194 1313431518 /nfs/dbraw/zinc/43/15/18/1313431518.db2.gz RRUXWXWZDVWDDO-IEBWSBKVSA-N 2 0 337.552 2.983 20 30 EFEDRP N#Cc1ccc(Br)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320691 1313469209 /nfs/dbraw/zinc/46/92/09/1313469209.db2.gz UJFLIWLEBXCMNJ-OKILXGFUSA-N 2 0 334.261 2.752 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909799 1313470504 /nfs/dbraw/zinc/47/05/04/1313470504.db2.gz CMENJUHCNJJKRN-RTBURBONSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CCN(CC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C(=O)OCC ZINC001236371318 1313473987 /nfs/dbraw/zinc/47/39/87/1313473987.db2.gz LDWBYGODTYYMBS-KRWDZBQOSA-N 2 0 337.508 2.875 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156621 1298222082 /nfs/dbraw/zinc/22/20/82/1298222082.db2.gz LGTQAWKEXPQKAG-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181350 1298259317 /nfs/dbraw/zinc/25/93/17/1298259317.db2.gz JHLKAUSKPAPEDJ-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628629 1313486742 /nfs/dbraw/zinc/48/67/42/1313486742.db2.gz OELDSSFIARGHJR-QGZVFWFLSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231300 1298376018 /nfs/dbraw/zinc/37/60/18/1298376018.db2.gz QHJWHVKANYZLPV-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276834 1298474667 /nfs/dbraw/zinc/47/46/67/1298474667.db2.gz WPOAAIQHSMJXLN-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605497 1313510497 /nfs/dbraw/zinc/51/04/97/1313510497.db2.gz RQQNQHQURGDCBL-NEWSRXKRSA-N 2 0 327.472 2.659 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961340408 1298578542 /nfs/dbraw/zinc/57/85/42/1298578542.db2.gz KNRBCAZFGORTFR-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961340396 1298579133 /nfs/dbraw/zinc/57/91/33/1298579133.db2.gz KNRBCAZFGORTFR-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961349468 1298594707 /nfs/dbraw/zinc/59/47/07/1298594707.db2.gz SQCFHAFQFNFIMZ-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961365491 1298620790 /nfs/dbraw/zinc/62/07/90/1298620790.db2.gz DTNNGDBWZSJPDJ-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001206865400 1313528446 /nfs/dbraw/zinc/52/84/46/1313528446.db2.gz NYASWZQURCQHJW-UHFFFAOYSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001206865372 1313528688 /nfs/dbraw/zinc/52/86/88/1313528688.db2.gz MKZLRFWIRFDDMI-UHFFFAOYSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000961367442 1298627571 /nfs/dbraw/zinc/62/75/71/1298627571.db2.gz MSECIWVIECOTGU-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372291 1298635084 /nfs/dbraw/zinc/63/50/84/1298635084.db2.gz AVKAZQMIWOTQNL-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871398 1313530999 /nfs/dbraw/zinc/53/09/99/1313530999.db2.gz JZBDEZPEERANSF-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376404 1298646995 /nfs/dbraw/zinc/64/69/95/1298646995.db2.gz STGQXICLOKJEDI-MOPGFXCFSA-N 2 0 335.536 2.709 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377991 1298648628 /nfs/dbraw/zinc/64/86/28/1298648628.db2.gz JSUUZIVIBWVNPX-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872909 1313531872 /nfs/dbraw/zinc/53/18/72/1313531872.db2.gz YCHDAWXKMAMYFY-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961383742 1298658907 /nfs/dbraw/zinc/65/89/07/1298658907.db2.gz LUPPTLXMZVTYKT-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000083031481 1298681413 /nfs/dbraw/zinc/68/14/13/1298681413.db2.gz RUNICASWTCKRQJ-ROUUACIJSA-N 2 0 344.503 2.925 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961407346 1298701011 /nfs/dbraw/zinc/70/10/11/1298701011.db2.gz XCPANMQFLRWYKY-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)COc1ccccc1CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236924740 1313554284 /nfs/dbraw/zinc/55/42/84/1313554284.db2.gz TXZBHVZORIMYGY-LJQANCHMSA-N 2 0 331.504 2.757 20 30 EFEDRP CN1CCN(c2cc(C[N@@H+]3CCC[C@@H](C#N)CC3)ccc2F)CC1 ZINC001236975391 1313563842 /nfs/dbraw/zinc/56/38/42/1313563842.db2.gz YXIGBOYTVXSZHU-MRXNPFEDSA-N 2 0 330.451 2.703 20 30 EFEDRP CC#CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001206965419 1313573756 /nfs/dbraw/zinc/57/37/56/1313573756.db2.gz AXNYMRNGGJBZSU-UHFFFAOYSA-N 2 0 345.487 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052150 1313660098 /nfs/dbraw/zinc/66/00/98/1313660098.db2.gz MABNWGAIPLNTPH-YRXWBPOGSA-N 2 0 331.504 2.645 20 30 EFEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237614739 1313677638 /nfs/dbraw/zinc/67/76/38/1313677638.db2.gz RGKKJVKWFHXNQL-UHFFFAOYSA-N 2 0 325.460 2.758 20 30 EFEDRP CC(C)[N@@H+]1CCCC[C@@H]1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853674382 1300223653 /nfs/dbraw/zinc/22/36/53/1300223653.db2.gz XKNNZTQNYQNRRV-GOSISDBHSA-N 2 0 332.492 2.648 20 30 EFEDRP COC(=O)CCN(CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237758143 1313702955 /nfs/dbraw/zinc/70/29/55/1313702955.db2.gz ZXQBJYPAOJDSCQ-UHFFFAOYSA-N 2 0 337.851 2.528 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315445 1300580572 /nfs/dbraw/zinc/58/05/72/1300580572.db2.gz STHOQAFSDMKFRH-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322627 1300598305 /nfs/dbraw/zinc/59/83/05/1300598305.db2.gz HVPDQEKWVYOOLE-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328322 1300611596 /nfs/dbraw/zinc/61/15/96/1300611596.db2.gz NUSCFFTXTSOLJZ-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337312 1300631525 /nfs/dbraw/zinc/63/15/25/1300631525.db2.gz NQGLQJSXSAWPMU-ROUUACIJSA-N 2 0 344.503 2.632 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358564 1300680984 /nfs/dbraw/zinc/68/09/84/1300680984.db2.gz UKFQXXJXZCFTHA-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384213 1300741368 /nfs/dbraw/zinc/74/13/68/1300741368.db2.gz RRAMCYVQPSZKLS-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429616 1300836991 /nfs/dbraw/zinc/83/69/91/1300836991.db2.gz QHLSTGGQNLFIEE-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001018165809 1313722638 /nfs/dbraw/zinc/72/26/38/1313722638.db2.gz MKIDUFCALFIUKT-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432061 1300844580 /nfs/dbraw/zinc/84/45/80/1300844580.db2.gz ZTDHGVBVSAHIDI-VQTJNVASSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000963678329 1301208635 /nfs/dbraw/zinc/20/86/35/1301208635.db2.gz XIPOFLDPZDVGFR-UHFFFAOYSA-N 2 0 326.444 2.883 20 30 EFEDRP Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](CCCCF)C3)cc1C#N ZINC001278205410 1313786572 /nfs/dbraw/zinc/78/65/72/1313786572.db2.gz KWDNGKHLJRMHFD-IBGZPJMESA-N 2 0 332.467 2.934 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001202504486 1301792155 /nfs/dbraw/zinc/79/21/55/1301792155.db2.gz UGHAVLHLSVIWCU-LJQANCHMSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018312044 1313806436 /nfs/dbraw/zinc/80/64/36/1313806436.db2.gz AISTXEMWFUKRMG-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000964645667 1302127336 /nfs/dbraw/zinc/12/73/36/1302127336.db2.gz YOAJLLJURWLALF-FUSSNKQKSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208050246 1313834734 /nfs/dbraw/zinc/83/47/34/1313834734.db2.gz WWFUGMFIOZGHCF-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097077725 1313840628 /nfs/dbraw/zinc/84/06/28/1313840628.db2.gz GDOVVEOUABSMCI-AITUJVMLSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063524 1313838326 /nfs/dbraw/zinc/83/83/26/1313838326.db2.gz PIDAWMSUAPPTRZ-RBUKOAKNSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208092974 1313846009 /nfs/dbraw/zinc/84/60/09/1313846009.db2.gz ZZLNESKWEOPOSH-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092712 1313846425 /nfs/dbraw/zinc/84/64/25/1313846425.db2.gz VWFHAERXPNATRM-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208106267 1313848453 /nfs/dbraw/zinc/84/84/53/1313848453.db2.gz ASZZNMMJYMXBMD-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110867 1313849710 /nfs/dbraw/zinc/84/97/10/1313849710.db2.gz WGQVPZBIZLGCNS-QUCCMNQESA-N 2 0 336.520 2.792 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208263898 1313884978 /nfs/dbraw/zinc/88/49/78/1313884978.db2.gz FRLLMUQJYMMRJN-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619103 1303034524 /nfs/dbraw/zinc/03/45/24/1303034524.db2.gz QGWSHEIVCUWYRN-PIIMJCKOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000965348039 1303145214 /nfs/dbraw/zinc/14/52/14/1303145214.db2.gz SWEZOPBMTAUPPQ-FUSSNKQKSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000965841074 1303344907 /nfs/dbraw/zinc/34/49/07/1303344907.db2.gz ASZRWQGZJHTROQ-YYIRHMBSSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000965929070 1303459495 /nfs/dbraw/zinc/45/94/95/1303459495.db2.gz ZVSZDYFDGUYYFF-UHFFFAOYSA-N 2 0 341.499 2.955 20 30 EFEDRP CCCCCCCCNC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001239307659 1313923974 /nfs/dbraw/zinc/92/39/74/1313923974.db2.gz FXZIWDQTEALQBU-KRWDZBQOSA-N 2 0 326.529 2.672 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208470596 1313937827 /nfs/dbraw/zinc/93/78/27/1313937827.db2.gz IOSYJQIBSORUCR-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1ccnc1 ZINC001114898956 1304193055 /nfs/dbraw/zinc/19/30/55/1304193055.db2.gz JQPUEOKMTMZZDF-VXNCWWDNSA-N 2 0 330.476 2.627 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1CC ZINC001037887454 1304254339 /nfs/dbraw/zinc/25/43/39/1304254339.db2.gz FAFMKPZSOMTEMF-YOEHRIQHSA-N 2 0 346.862 2.917 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596099 1313971758 /nfs/dbraw/zinc/97/17/58/1313971758.db2.gz BKPZYUTXBLULKJ-VQTJNVASSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596100 1313971998 /nfs/dbraw/zinc/97/19/98/1313971998.db2.gz BKPZYUTXBLULKJ-WOJBJXKFSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596098 1313972320 /nfs/dbraw/zinc/97/23/20/1313972320.db2.gz BKPZYUTXBLULKJ-UXHICEINSA-N 2 0 336.520 2.792 20 30 EFEDRP C#CCOc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)cc1OC ZINC001276576927 1313990992 /nfs/dbraw/zinc/99/09/92/1313990992.db2.gz QJAXHWNSHNBPBW-UXHICEINSA-N 2 0 328.456 2.862 20 30 EFEDRP C#CCOc1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC001276576660 1314000913 /nfs/dbraw/zinc/00/09/13/1314000913.db2.gz LAAYOBRLHVAXPS-HXUWFJFHSA-N 2 0 328.456 2.625 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397860 1304944557 /nfs/dbraw/zinc/94/45/57/1304944557.db2.gz SSKQTHCAYQEZGN-YJBOKZPZSA-N 2 0 326.444 2.741 20 30 EFEDRP N#Cc1cc(-c2cccc(OCC[NH+]3CCCC3)n2)cc(C2C[NH2+]C2)c1 ZINC001240343750 1314022871 /nfs/dbraw/zinc/02/28/71/1314022871.db2.gz UKOZNGDPIYUVNL-UHFFFAOYSA-N 2 0 348.450 2.782 20 30 EFEDRP C[NH+](C)Cc1c[nH]c2ncc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc12 ZINC001240360722 1314024852 /nfs/dbraw/zinc/02/48/52/1314024852.db2.gz MEKCQGSTDFVQNS-UHFFFAOYSA-N 2 0 331.423 2.850 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001037944689 1305063133 /nfs/dbraw/zinc/06/31/33/1305063133.db2.gz AUMWLIUVZBCEOR-PKOBYXMFSA-N 2 0 333.520 2.511 20 30 EFEDRP N#Cc1ccc(CCCN2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208860168 1314031714 /nfs/dbraw/zinc/03/17/14/1314031714.db2.gz YVLFALNAXIQBGO-UHFFFAOYSA-N 2 0 349.482 2.799 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC001037981408 1305576834 /nfs/dbraw/zinc/57/68/34/1305576834.db2.gz DXDLJSLZXOVZMV-HKUYNNGSSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1CC ZINC001037991891 1305673652 /nfs/dbraw/zinc/67/36/52/1305673652.db2.gz RAKYXDOBHNDUFU-SJLPKXTDSA-N 2 0 345.487 2.585 20 30 EFEDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)cc1C#N ZINC001276609025 1314072335 /nfs/dbraw/zinc/07/23/35/1314072335.db2.gz ZZMNANQSGHSJNZ-UHFFFAOYSA-N 2 0 337.471 2.713 20 30 EFEDRP C=CCN(CC[NH+]1CCC(C2CC[NH+](C)CC2)CC1)C(=O)OCC ZINC001209021958 1314072495 /nfs/dbraw/zinc/07/24/95/1314072495.db2.gz GPTSPFKRCVFVQY-UHFFFAOYSA-N 2 0 337.508 2.685 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326776 1306136339 /nfs/dbraw/zinc/13/63/39/1306136339.db2.gz IUHWRRVCTUMYQH-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496930 1306400799 /nfs/dbraw/zinc/40/07/99/1306400799.db2.gz FJODTGNLDYDFOU-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525365 1306431437 /nfs/dbraw/zinc/43/14/37/1306431437.db2.gz QGCKNFMVBGVJTQ-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)CC[C@H]2C)CC1 ZINC000968681892 1306563897 /nfs/dbraw/zinc/56/38/97/1306563897.db2.gz MIDFBNBDVXUIJP-YLJYHZDGSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(CC)CC)CC[C@@H]2C)CC1 ZINC000968681890 1306564489 /nfs/dbraw/zinc/56/44/89/1306564489.db2.gz MIDFBNBDVXUIJP-PXNSSMCTSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C)CC1 ZINC000968683219 1306565369 /nfs/dbraw/zinc/56/53/69/1306565369.db2.gz ZVMWQJSLRWPNBL-HKUYNNGSSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882310 1306754598 /nfs/dbraw/zinc/75/45/98/1306754598.db2.gz LJBGKCRBCPIQAJ-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887865 1306759963 /nfs/dbraw/zinc/75/99/63/1306759963.db2.gz NZPRWNGKMXDYBL-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887380 1306760817 /nfs/dbraw/zinc/76/08/17/1306760817.db2.gz CBHMJSWLDVDBEP-PMACEKPBSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044741941 1306764727 /nfs/dbraw/zinc/76/47/27/1306764727.db2.gz DVRYZPSZSBAWEC-QFBILLFUSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001044880416 1306893438 /nfs/dbraw/zinc/89/34/38/1306893438.db2.gz XPLYJYHBVDKTKA-HZPDHXFCSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209425057 1314161802 /nfs/dbraw/zinc/16/18/02/1314161802.db2.gz YULGNHYPCODYIF-NHCUHLMSSA-N 2 0 349.563 2.994 20 30 EFEDRP C=CCCCCCC[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209435801 1314162688 /nfs/dbraw/zinc/16/26/88/1314162688.db2.gz NLVKFQSKVBYKMP-UHFFFAOYSA-N 2 0 345.531 2.947 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209449784 1314164945 /nfs/dbraw/zinc/16/49/45/1314164945.db2.gz LFFYBOSGQOJHOJ-FQEVSTJZSA-N 2 0 333.520 2.896 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437995 1307338334 /nfs/dbraw/zinc/33/83/34/1307338334.db2.gz IJEPDBOXYSWYQR-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441438 1307341028 /nfs/dbraw/zinc/34/10/28/1307341028.db2.gz FXQNNGMMZCPKPO-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001045475870 1307365462 /nfs/dbraw/zinc/36/54/62/1307365462.db2.gz VAXYAZOQYYWUMP-MSOLQXFVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001045556621 1307427352 /nfs/dbraw/zinc/42/73/52/1307427352.db2.gz HTQZCEXITQORFF-KRWDZBQOSA-N 2 0 344.503 2.691 20 30 EFEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045556907 1307427585 /nfs/dbraw/zinc/42/75/85/1307427585.db2.gz PEGWDHHOTMGGRH-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723875 1307569710 /nfs/dbraw/zinc/56/97/10/1307569710.db2.gz RTMWJZUOQBINFF-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209640405 1314205958 /nfs/dbraw/zinc/20/59/58/1314205958.db2.gz BXXFSUACQFIEPF-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053508 1307788834 /nfs/dbraw/zinc/78/88/34/1307788834.db2.gz VGVYVLLQTOTYIG-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921970 1307900086 /nfs/dbraw/zinc/90/00/86/1307900086.db2.gz WMAXWZYIPCIGAA-FUHWJXTLSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209688643 1314217345 /nfs/dbraw/zinc/21/73/45/1314217345.db2.gz GAHVSGUMKKAIOY-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045941901 1307951228 /nfs/dbraw/zinc/95/12/28/1307951228.db2.gz OMNYTJSUGPCDDM-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045942447 1307953375 /nfs/dbraw/zinc/95/33/75/1307953375.db2.gz XPVSFPCBQHZTDL-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943035 1307956253 /nfs/dbraw/zinc/95/62/53/1307956253.db2.gz FJQMFQPOHONEBV-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045946856 1307968455 /nfs/dbraw/zinc/96/84/55/1307968455.db2.gz BWRYKHDXZHTDBC-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947486 1307970914 /nfs/dbraw/zinc/97/09/14/1307970914.db2.gz LZNQKCVLFRXNJA-SJLPKXTDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958531 1308000332 /nfs/dbraw/zinc/00/03/32/1308000332.db2.gz SUUJFFICWTUJRM-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958877 1308001439 /nfs/dbraw/zinc/00/14/39/1308001439.db2.gz YTTSMMIWORPEFZ-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961261 1308008983 /nfs/dbraw/zinc/00/89/83/1308008983.db2.gz JYPIRWQAOQMLEQ-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045967388 1308025243 /nfs/dbraw/zinc/02/52/43/1308025243.db2.gz UACIGFKNDXPGEL-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970120 1308034989 /nfs/dbraw/zinc/03/49/89/1308034989.db2.gz BGQIOKBPLCEKLA-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979398 1308061616 /nfs/dbraw/zinc/06/16/16/1308061616.db2.gz DCBZPKLCPLPENZ-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP N#Cc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)ccc1N1CC[NH2+]CC1 ZINC001242692948 1314225993 /nfs/dbraw/zinc/22/59/93/1314225993.db2.gz GQFUZDWVCFTAGW-FQEVSTJZSA-N 2 0 336.483 3.000 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986342 1308087314 /nfs/dbraw/zinc/08/73/14/1308087314.db2.gz NWCGSNDJOQXKTN-OAQYLSRUSA-N 2 0 345.531 2.590 20 30 EFEDRP C=C(Cl)CN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008878982 1308309769 /nfs/dbraw/zinc/30/97/69/1308309769.db2.gz BFKLWZIQYNESDY-KRWDZBQOSA-N 2 0 335.879 2.695 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957527 1314263855 /nfs/dbraw/zinc/26/38/55/1314263855.db2.gz AGCUWXHGFGVLOJ-ZIFCJYIRSA-N 2 0 335.536 2.898 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626326 1308954279 /nfs/dbraw/zinc/95/42/79/1308954279.db2.gz RQUCBLNOZOUAOS-NRFANRHFSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198753 1314294391 /nfs/dbraw/zinc/29/43/91/1314294391.db2.gz RKFWDCPVMLUWQZ-CVEARBPZSA-N 2 0 329.916 2.686 20 30 EFEDRP N#Cc1ncc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1C(F)(F)F ZINC001210262940 1314303835 /nfs/dbraw/zinc/30/38/35/1314303835.db2.gz ONBJXYFWYHPRDR-UHFFFAOYSA-N 2 0 348.332 2.520 20 30 EFEDRP N#Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccc1N1CCCC1 ZINC001210267280 1314306307 /nfs/dbraw/zinc/30/63/07/1314306307.db2.gz YSPWZYZLVCJBII-UHFFFAOYSA-N 2 0 348.454 2.707 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708435 1314313872 /nfs/dbraw/zinc/31/38/72/1314313872.db2.gz ACEAJOZJROGSLM-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046938104 1309718156 /nfs/dbraw/zinc/71/81/56/1309718156.db2.gz OKYXADSFBCYTSE-JKSUJKDBSA-N 2 0 343.462 2.509 20 30 EFEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046954300 1309758526 /nfs/dbraw/zinc/75/85/26/1309758526.db2.gz QLDVXACVYBVXNO-JKSUJKDBSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001046977835 1309824514 /nfs/dbraw/zinc/82/45/14/1309824514.db2.gz MRVFJKGZQQLLIK-JKSUJKDBSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614991 1314361248 /nfs/dbraw/zinc/36/12/48/1314361248.db2.gz JYSAEYPJSPACEZ-QUCCMNQESA-N 2 0 329.488 2.620 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764644 1314358533 /nfs/dbraw/zinc/35/85/33/1314358533.db2.gz QBPVLROVRSWOAR-DLBZAZTESA-N 2 0 341.927 2.973 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210646267 1314366116 /nfs/dbraw/zinc/36/61/16/1314366116.db2.gz WJJYQOMYYBZJNJ-RBUKOAKNSA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047242055 1310393797 /nfs/dbraw/zinc/39/37/97/1310393797.db2.gz QVHZACLSQVXXAR-MISYRCLQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047243628 1310397960 /nfs/dbraw/zinc/39/79/60/1310397960.db2.gz MFCBLMIRQMXWSG-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047245253 1310403337 /nfs/dbraw/zinc/40/33/37/1310403337.db2.gz YBOAUTAZHWVZBU-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256065 1310429318 /nfs/dbraw/zinc/42/93/18/1310429318.db2.gz GATDAUIUIPCVES-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047264886 1310456844 /nfs/dbraw/zinc/45/68/44/1310456844.db2.gz BGEUAFREZCBYOP-HXUWFJFHSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265369 1310457521 /nfs/dbraw/zinc/45/75/21/1310457521.db2.gz ZBQLHHSEOZOAIR-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265440 1310457696 /nfs/dbraw/zinc/45/76/96/1310457696.db2.gz RIASTGMCDLRPEC-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265443 1310458114 /nfs/dbraw/zinc/45/81/14/1310458114.db2.gz RIASTGMCDLRPEC-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266499 1310462293 /nfs/dbraw/zinc/46/22/93/1310462293.db2.gz ZJQSGISAEUFSAY-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001047266334 1310462495 /nfs/dbraw/zinc/46/24/95/1310462495.db2.gz WIVHAGQTPDIVLG-FQEVSTJZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052836247 1314407224 /nfs/dbraw/zinc/40/72/24/1314407224.db2.gz HKKVTUJKKNWAPO-KRWDZBQOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669327 1311010229 /nfs/dbraw/zinc/01/02/29/1311010229.db2.gz HKYJKRDJNOVQJK-KZNAEPCWSA-N 2 0 331.504 2.502 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221771697 1311029169 /nfs/dbraw/zinc/02/91/69/1311029169.db2.gz FMDUNOFBLDLSEE-QZTJIDSGSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098871056 1311048614 /nfs/dbraw/zinc/04/86/14/1311048614.db2.gz ZXKZMZZDNGHUPB-BJLQDIEVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001222049559 1311073740 /nfs/dbraw/zinc/07/37/40/1311073740.db2.gz FTUWQDQYVWHIQX-VAMGGRTRSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050014 1311075289 /nfs/dbraw/zinc/07/52/89/1311075289.db2.gz QZQRYEOXGVQOJT-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001099491139 1311097669 /nfs/dbraw/zinc/09/76/69/1311097669.db2.gz YTSVOENSMPSAOP-OKYOBFRVSA-N 2 0 345.531 2.606 20 30 EFEDRP CCCCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521545 1311146446 /nfs/dbraw/zinc/14/64/46/1311146446.db2.gz VPOZLTSPVILOHC-HXUWFJFHSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001222877642 1311193944 /nfs/dbraw/zinc/19/39/44/1311193944.db2.gz YPOJOKOKDPYWFI-AQNXPRMDSA-N 2 0 347.547 2.853 20 30 EFEDRP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276858103 1311211389 /nfs/dbraw/zinc/21/13/89/1311211389.db2.gz BDJKRHLEPUNNIL-NRFANRHFSA-N 2 0 340.515 2.716 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001223039378 1311211714 /nfs/dbraw/zinc/21/17/14/1311211714.db2.gz ICKLHUVWDDWMFX-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223194123 1311228749 /nfs/dbraw/zinc/22/87/49/1311228749.db2.gz YGHTUZMCPLRIDB-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223373922 1311251724 /nfs/dbraw/zinc/25/17/24/1311251724.db2.gz GLTVMGKGDLGNOC-WMZOPIPTSA-N 2 0 341.515 2.849 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223900833 1311318580 /nfs/dbraw/zinc/31/85/80/1311318580.db2.gz LBYVZEWXLDHEIB-UXHICEINSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222694 1311362605 /nfs/dbraw/zinc/36/26/05/1311362605.db2.gz VTRBRNSIAZYZOC-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980358 1311405948 /nfs/dbraw/zinc/40/59/48/1311405948.db2.gz WKGWPAVZVKWJCH-PZJWPPBQSA-N 2 0 347.547 2.692 20 30 EFEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913831 1311415915 /nfs/dbraw/zinc/41/59/15/1311415915.db2.gz FOBKQHNHSAFOKJ-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP CCCCCCC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154761 1311484268 /nfs/dbraw/zinc/48/42/68/1311484268.db2.gz IIPDBOGURBPWSB-UHFFFAOYSA-N 2 0 335.536 2.881 20 30 EFEDRP CN(C)Cc1ncccc1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225279573 1311500018 /nfs/dbraw/zinc/50/00/18/1311500018.db2.gz YOHOSEQUGCSOOF-GOSISDBHSA-N 2 0 336.439 2.668 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001225557977 1311542637 /nfs/dbraw/zinc/54/26/37/1311542637.db2.gz XTMHOEIHWGZCHT-AATRIKPKSA-N 2 0 345.531 2.516 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578578 1311547072 /nfs/dbraw/zinc/54/70/72/1311547072.db2.gz XZIJLQBWWVTHEB-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP N#Cc1cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159921708 1311609003 /nfs/dbraw/zinc/60/90/03/1311609003.db2.gz DFCIOQUCGMUZFW-HXUWFJFHSA-N 2 0 334.423 2.729 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131465 1311650363 /nfs/dbraw/zinc/65/03/63/1311650363.db2.gz MUOCJOPBLUBJNR-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131021 1311650998 /nfs/dbraw/zinc/65/09/98/1311650998.db2.gz CYCPGXBQSYDKGN-VQTJNVASSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155453 1311656745 /nfs/dbraw/zinc/65/67/45/1311656745.db2.gz GIFBQJHQFJJWHR-XLIONFOSSA-N 2 0 345.531 2.821 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175469 1311659492 /nfs/dbraw/zinc/65/94/92/1311659492.db2.gz SZYMWPNDTKHJKF-YQVWRLOYSA-N 2 0 333.520 2.820 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001160285126 1311679903 /nfs/dbraw/zinc/67/99/03/1311679903.db2.gz BIQIPFOWUFRRHD-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160291202 1311681302 /nfs/dbraw/zinc/68/13/02/1311681302.db2.gz GAAZOUBARGDRLC-SFHVURJKSA-N 2 0 339.499 2.771 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359847 1311696407 /nfs/dbraw/zinc/69/64/07/1311696407.db2.gz CRFOWNDAEITVGT-IBGZPJMESA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379157 1311699998 /nfs/dbraw/zinc/69/99/98/1311699998.db2.gz CZMJFPFPVJZQEI-KRWDZBQOSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277159654 1311731121 /nfs/dbraw/zinc/73/11/21/1311731121.db2.gz LTFSCZDLQNEJLL-WIYYLYMNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160546794 1311733994 /nfs/dbraw/zinc/73/39/94/1311733994.db2.gz YMDDMSZVGBRIMT-UHFFFAOYSA-N 2 0 342.487 2.622 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787199 1311781149 /nfs/dbraw/zinc/78/11/49/1311781149.db2.gz KEWFIHYCZKMKMA-LJQANCHMSA-N 2 0 331.504 2.575 20 30 EFEDRP N#Cc1cnc2cnc(Cl)cc2c1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160944567 1311816667 /nfs/dbraw/zinc/81/66/67/1311816667.db2.gz RKJCYVLXLYIIOM-UHFFFAOYSA-N 2 0 348.797 2.995 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNc1cccc(OCC[NH+]2CCCC2)n1 ZINC001160953528 1311820748 /nfs/dbraw/zinc/82/07/48/1311820748.db2.gz DCMYGJYGZCGEEZ-KRWDZBQOSA-N 2 0 330.476 2.619 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986719 1311829167 /nfs/dbraw/zinc/82/91/67/1311829167.db2.gz UCWXVVHKUWASFR-LJQANCHMSA-N 2 0 333.520 2.823 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160985684 1311829413 /nfs/dbraw/zinc/82/94/13/1311829413.db2.gz GFVJXZAMDRAKCF-IBGZPJMESA-N 2 0 333.520 2.823 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160985688 1311829647 /nfs/dbraw/zinc/82/96/47/1311829647.db2.gz GFVJXZAMDRAKCF-LJQANCHMSA-N 2 0 333.520 2.823 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792683 1311856340 /nfs/dbraw/zinc/85/63/40/1311856340.db2.gz RKUDZXGVZNYYIH-ROUUACIJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525043 1311860032 /nfs/dbraw/zinc/86/00/32/1311860032.db2.gz ICVHYMYQMLEIDQ-LTFPLMDUSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525042 1311860383 /nfs/dbraw/zinc/86/03/83/1311860383.db2.gz ICVHYMYQMLEIDQ-FSGKZVOOSA-N 2 0 345.531 2.796 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001048530058 1311868004 /nfs/dbraw/zinc/86/80/04/1311868004.db2.gz DYROYOUARMQWOP-FCGDIQPGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391239 1311876694 /nfs/dbraw/zinc/87/66/94/1311876694.db2.gz PFMIWVNCQQNVGJ-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048537455 1311877371 /nfs/dbraw/zinc/87/73/71/1311877371.db2.gz BJVOIFOKUCTUNX-UHZRXMQZSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391868 1311877503 /nfs/dbraw/zinc/87/75/03/1311877503.db2.gz XRZUDHCQQQIAAS-IBGZPJMESA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538503 1311879169 /nfs/dbraw/zinc/87/91/69/1311879169.db2.gz XMRSBNZUDPZRSX-OUUBHVDSSA-N 2 0 345.531 2.939 20 30 EFEDRP C#CCCCCCCCCC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161444871 1311890654 /nfs/dbraw/zinc/89/06/54/1311890654.db2.gz LHBLLEFFGJOGEG-IBGZPJMESA-N 2 0 335.536 2.883 20 30 EFEDRP C=C(C)Cc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161449875 1311892756 /nfs/dbraw/zinc/89/27/56/1311892756.db2.gz UTYZAWCTQFJHOS-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP 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 ZINC001048583423 1311933509 /nfs/dbraw/zinc/93/35/09/1311933509.db2.gz KOTAFFLUCDOYKT-QTMHVTGLSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704693 1311955689 /nfs/dbraw/zinc/95/56/89/1311955689.db2.gz GFAKQNKPXODZKM-OALUTQOASA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925001 1312004741 /nfs/dbraw/zinc/00/47/41/1312004741.db2.gz SJZUPXLGEAVBGU-ROUUACIJSA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947056 1312011040 /nfs/dbraw/zinc/01/10/40/1312011040.db2.gz VDDLZAJOMHAWBJ-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952974 1312012721 /nfs/dbraw/zinc/01/27/21/1312012721.db2.gz NPWJDCXDWJAEIZ-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001229222676 1312064143 /nfs/dbraw/zinc/06/41/43/1312064143.db2.gz FIZUKASWYRRGLB-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902740459 1312067061 /nfs/dbraw/zinc/06/70/61/1312067061.db2.gz UWOSZYPZIWHQCL-VQTJNVASSA-N 2 0 328.504 2.871 20 30 EFEDRP N#Cc1cc(NCCC[NH2+]CCCC[NH3+])nc2ccc(Cl)cc12 ZINC001162294743 1312083031 /nfs/dbraw/zinc/08/30/31/1312083031.db2.gz VPUFVWXGBNGXPB-UHFFFAOYSA-N 2 0 331.851 2.890 20 30 EFEDRP C=CCCCCC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162316782 1312085655 /nfs/dbraw/zinc/08/56/55/1312085655.db2.gz NFPDXSDWHOMMAA-UHFFFAOYSA-N 2 0 341.459 2.723 20 30 EFEDRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902769423 1312090436 /nfs/dbraw/zinc/09/04/36/1312090436.db2.gz XQVODGDYXVMVSI-FQEVSTJZSA-N 2 0 349.482 2.946 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001229615524 1312120255 /nfs/dbraw/zinc/12/02/55/1312120255.db2.gz NSFYULUXWDNGDT-QRVBRYPASA-N 2 0 333.520 2.681 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001229632579 1312121675 /nfs/dbraw/zinc/12/16/75/1312121675.db2.gz DTRIFPCTFNJQDA-QWFCFKBJSA-N 2 0 329.488 2.666 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048821208 1312165755 /nfs/dbraw/zinc/16/57/55/1312165755.db2.gz VQFWVTZCZHXFMC-GBESFXJTSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001162832402 1312186344 /nfs/dbraw/zinc/18/63/44/1312186344.db2.gz RLFSAQKCDQUUEY-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001162836818 1312187487 /nfs/dbraw/zinc/18/74/87/1312187487.db2.gz RPOBIRPPMZFKLW-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001162928831 1312206055 /nfs/dbraw/zinc/20/60/55/1312206055.db2.gz OYZYSYXVLSTAHX-IBGZPJMESA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001162929472 1312206235 /nfs/dbraw/zinc/20/62/35/1312206235.db2.gz ZFRHNXFZCRRCBB-LJQANCHMSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001162929446 1312206375 /nfs/dbraw/zinc/20/63/75/1312206375.db2.gz XWTATIKMWYCDCC-HXUWFJFHSA-N 2 0 345.531 2.954 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC/C=C/CCC)CC2)CC1 ZINC001230344881 1312226973 /nfs/dbraw/zinc/22/69/73/1312226973.db2.gz OOTAQARHVMCFCI-VOTSOKGWSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001163111861 1312243399 /nfs/dbraw/zinc/24/33/99/1312243399.db2.gz XOJCYXHVAZSNTI-VBSBHUPXSA-N 2 0 327.472 2.656 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001230572852 1312269595 /nfs/dbraw/zinc/26/95/95/1312269595.db2.gz UWKSATVBSYMHGU-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581214 1312272803 /nfs/dbraw/zinc/27/28/03/1312272803.db2.gz WZUQKQJNNMYZHF-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591776 1312275883 /nfs/dbraw/zinc/27/58/83/1312275883.db2.gz JEHBKIJIFNWCGD-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001230598098 1312278284 /nfs/dbraw/zinc/27/82/84/1312278284.db2.gz FKTLAYMAKFIHMW-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598730 1312278883 /nfs/dbraw/zinc/27/88/83/1312278883.db2.gz XTLGMMQWVLQLIO-PMACEKPBSA-N 2 0 347.547 2.833 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610821 1312283321 /nfs/dbraw/zinc/28/33/21/1312283321.db2.gz IFVBMEHVTKXAKY-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619203 1312287020 /nfs/dbraw/zinc/28/70/20/1312287020.db2.gz WIMNPNBNRQHSSI-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230621838 1312287223 /nfs/dbraw/zinc/28/72/23/1312287223.db2.gz HPPNFQMKJROIDR-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781661 1312340695 /nfs/dbraw/zinc/34/06/95/1312340695.db2.gz SNAFBOQJKKGQOK-IBGZPJMESA-N 2 0 346.519 2.552 20 30 EFEDRP C=C(C)C[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)CC)Cc1cccnc1 ZINC001230790281 1312344571 /nfs/dbraw/zinc/34/45/71/1312344571.db2.gz UBHPXEYIUKDBKK-UHFFFAOYSA-N 2 0 346.519 2.696 20 30 EFEDRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4cc(C#N)ccc4C3)c2)CC1 ZINC001164488823 1312524077 /nfs/dbraw/zinc/52/40/77/1312524077.db2.gz MJUJPAXROFEPEH-UHFFFAOYSA-N 2 0 348.450 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491880 1312524628 /nfs/dbraw/zinc/52/46/28/1312524628.db2.gz PAAIQKZXRWBWDZ-INIZCTEOSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165603 1312532884 /nfs/dbraw/zinc/53/28/84/1312532884.db2.gz VDJLDFLTLLZUMR-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164582704 1312544030 /nfs/dbraw/zinc/54/40/30/1312544030.db2.gz NPWQATWCSYOJRI-FGTMMUONSA-N 2 0 335.536 2.948 20 30 EFEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015475 1312606418 /nfs/dbraw/zinc/60/64/18/1312606418.db2.gz XDRGQGWYJXOZRS-MJGOQNOKSA-N 2 0 327.428 2.889 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049232782 1312608119 /nfs/dbraw/zinc/60/81/19/1312608119.db2.gz ZLBZIPVAHFUPAJ-HDICACEKSA-N 2 0 347.890 2.505 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484701 1312636264 /nfs/dbraw/zinc/63/62/64/1312636264.db2.gz GZBPUZABDZUMBA-SFHVURJKSA-N 2 0 333.520 2.846 20 30 EFEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(Cl)c(C#N)c1)CC2 ZINC001277633824 1312654206 /nfs/dbraw/zinc/65/42/06/1312654206.db2.gz WMBCWEQORDBIOT-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857522 1314425716 /nfs/dbraw/zinc/42/57/16/1314425716.db2.gz OEHFAUICHJJFOA-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001211234137 1314460820 /nfs/dbraw/zinc/46/08/20/1314460820.db2.gz VHIOBIMCGVMPGC-ICSRJNTNSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCCCCC)C2)CC1 ZINC001211233656 1314461139 /nfs/dbraw/zinc/46/11/39/1314461139.db2.gz LCGRTODEBBDHBO-FQEVSTJZSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240441 1314461707 /nfs/dbraw/zinc/46/17/07/1314461707.db2.gz LNMVHDDUTHIYFT-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001211307043 1314472863 /nfs/dbraw/zinc/47/28/63/1314472863.db2.gz MZUPYSSMHOTEER-HTJOGQSXSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052955318 1314515739 /nfs/dbraw/zinc/51/57/39/1314515739.db2.gz CXKPWASYAVQZJX-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967626 1314526270 /nfs/dbraw/zinc/52/62/70/1314526270.db2.gz KWMBQXPPZTZRJM-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001245976762 1314558418 /nfs/dbraw/zinc/55/84/18/1314558418.db2.gz FNFUMFWFIIMTCP-CEXWTWQISA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245983570 1314558858 /nfs/dbraw/zinc/55/88/58/1314558858.db2.gz LKGXDZLPFVZCFS-MKXGPGLRSA-N 2 0 326.525 2.845 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245980773 1314559268 /nfs/dbraw/zinc/55/92/68/1314559268.db2.gz CRGGBRPVHUJFSN-FCGDIQPGSA-N 2 0 326.525 2.702 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001245985862 1314559959 /nfs/dbraw/zinc/55/99/59/1314559959.db2.gz NDQDGBNLNQEDEG-QZTJIDSGSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@]12C[NH2+]C[C@H]1COC2 ZINC001245985959 1314560045 /nfs/dbraw/zinc/56/00/45/1314560045.db2.gz UHWVMBRAMXVOLU-FHWLQOOXSA-N 2 0 326.525 2.704 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1COC2(C[NH2+]C2)C1 ZINC001245988361 1314560996 /nfs/dbraw/zinc/56/09/96/1314560996.db2.gz VLCXKJMMLXDBQG-ROUUACIJSA-N 2 0 326.525 2.846 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246005984 1314564894 /nfs/dbraw/zinc/56/48/94/1314564894.db2.gz SQCFMVYRILWPTK-QGZVFWFLSA-N 2 0 340.508 2.539 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246020354 1314566628 /nfs/dbraw/zinc/56/66/28/1314566628.db2.gz OOGCPJKXXSILJR-MSOLQXFVSA-N 2 0 343.556 2.711 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246049698 1314574089 /nfs/dbraw/zinc/57/40/89/1314574089.db2.gz SLXXNHNXJUAHLT-IBGZPJMESA-N 2 0 327.557 2.715 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027852 1314597912 /nfs/dbraw/zinc/59/79/12/1314597912.db2.gz IDGZCDOXMQFSDS-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001278436784 1314599538 /nfs/dbraw/zinc/59/95/38/1314599538.db2.gz VJRWSPVDILOTNZ-UHFFFAOYSA-N 2 0 348.494 2.853 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030721 1314605362 /nfs/dbraw/zinc/60/53/62/1314605362.db2.gz GUVBCMBANFIBJO-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043750 1314626350 /nfs/dbraw/zinc/62/63/50/1314626350.db2.gz YYRKJTGSVWDELT-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043753 1314626423 /nfs/dbraw/zinc/62/64/23/1314626423.db2.gz YYRKJTGSVWDELT-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C[C@@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444875 1314629707 /nfs/dbraw/zinc/62/97/07/1314629707.db2.gz ZIOJRCLQVXXERG-HUYLIWGRSA-N 3 0 326.488 2.771 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047041 1314631723 /nfs/dbraw/zinc/63/17/23/1314631723.db2.gz OZDCVVIYWTVHEY-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052310 1314640393 /nfs/dbraw/zinc/64/03/93/1314640393.db2.gz UMAINXFRWWVDJL-OALUTQOASA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC001246527136 1314642549 /nfs/dbraw/zinc/64/25/49/1314642549.db2.gz SJMVDCRGZWWMSX-IRXDYDNUSA-N 2 0 335.492 2.628 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053124 1314642744 /nfs/dbraw/zinc/64/27/44/1314642744.db2.gz YWVJQBJDZMXYSO-MOPGFXCFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053949 1314643646 /nfs/dbraw/zinc/64/36/46/1314643646.db2.gz FNPIIUONXXGASF-PMACEKPBSA-N 2 0 347.547 2.999 20 30 EFEDRP CCCCCCCC[C@H](CC)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246631397 1314661638 /nfs/dbraw/zinc/66/16/38/1314661638.db2.gz XDXVFQTVUGMRFO-FXAWDEMLSA-N 2 0 335.536 2.927 20 30 EFEDRP CCCCCCC[C@@H](CCC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246821138 1314690058 /nfs/dbraw/zinc/69/00/58/1314690058.db2.gz MAQFLWIVSHTWDH-LJQANCHMSA-N 2 0 326.573 2.600 20 30 EFEDRP CCCCCCCCC[C@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246823680 1314690603 /nfs/dbraw/zinc/69/06/03/1314690603.db2.gz VZYRHWDFMVYGOL-IBGZPJMESA-N 2 0 326.573 2.600 20 30 EFEDRP N#Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)c(F)c1 ZINC001246863872 1314698611 /nfs/dbraw/zinc/69/86/11/1314698611.db2.gz LZFVANDICAPLKG-YLJYHZDGSA-N 2 0 342.462 2.742 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108097 1314732989 /nfs/dbraw/zinc/73/29/89/1314732989.db2.gz PEFWGEQJNMXHHI-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015585 1314770713 /nfs/dbraw/zinc/77/07/13/1314770713.db2.gz VZFWNOVJRJDOOP-ZIFCJYIRSA-N 2 0 344.503 2.699 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846449 1315014383 /nfs/dbraw/zinc/01/43/83/1315014383.db2.gz FUUVHVRFFSGRJA-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C[NH+]1CCC(C2CC[NH+](Cc3cnn4ccc(C#N)cc34)CC2)CC1 ZINC001249107120 1315019846 /nfs/dbraw/zinc/01/98/46/1315019846.db2.gz SLLBLZGEDNCCRM-UHFFFAOYSA-N 2 0 337.471 2.760 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038624004 1315048575 /nfs/dbraw/zinc/04/85/75/1315048575.db2.gz RQCNPGVIHJFYGN-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP N#C[C@H]1C[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834373 1315115945 /nfs/dbraw/zinc/11/59/45/1315115945.db2.gz WZULTFURAYJFKE-QFBILLFUSA-N 2 0 325.457 2.851 20 30 EFEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054035779 1315198447 /nfs/dbraw/zinc/19/84/47/1315198447.db2.gz UVTUUNPZTPUTOD-WOJBJXKFSA-N 2 0 341.499 2.590 20 30 EFEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1c(C#N)oc2ccccc21 ZINC001218626935 1315222760 /nfs/dbraw/zinc/22/27/60/1315222760.db2.gz NXZBHIWWUSEJGE-AWEZNQCLSA-N 2 0 328.416 2.739 20 30 EFEDRP N#Cc1c2ccccc2sc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218649364 1315226622 /nfs/dbraw/zinc/22/66/22/1315226622.db2.gz XTPOYIVOMUYEEV-CQSZACIVSA-N 2 0 340.452 2.586 20 30 EFEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001218953170 1315263411 /nfs/dbraw/zinc/26/34/11/1315263411.db2.gz JENRJWIUODFNQJ-ZDUSSCGKSA-N 2 0 342.365 2.575 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145575 1315365631 /nfs/dbraw/zinc/36/56/31/1315365631.db2.gz SESYWVYHMUFREJ-PZJWPPBQSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158619 1315386201 /nfs/dbraw/zinc/38/62/01/1315386201.db2.gz NTVUKXOZRSKNMI-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160051 1315388438 /nfs/dbraw/zinc/38/84/38/1315388438.db2.gz UEVBQYJHSMTAIM-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169916 1315403733 /nfs/dbraw/zinc/40/37/33/1315403733.db2.gz AOJPTOWMWGEWPE-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174402 1315409776 /nfs/dbraw/zinc/40/97/76/1315409776.db2.gz OMCPUQGXBSFLOK-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183117 1315423512 /nfs/dbraw/zinc/42/35/12/1315423512.db2.gz YJKMOBUXOXQSIA-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054185160 1315425742 /nfs/dbraw/zinc/42/57/42/1315425742.db2.gz VDUWPUCHOYVHOS-IRFCIJBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190474 1315431399 /nfs/dbraw/zinc/43/13/99/1315431399.db2.gz KINQAPUNHDAPLU-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197470 1315440932 /nfs/dbraw/zinc/44/09/32/1315440932.db2.gz CECLITWFKSBFKL-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209884 1315461631 /nfs/dbraw/zinc/46/16/31/1315461631.db2.gz ZVIPDBSEJOWCIS-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209784 1315461704 /nfs/dbraw/zinc/46/17/04/1315461704.db2.gz XQWISWGEXZPNQK-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209719 1315462086 /nfs/dbraw/zinc/46/20/86/1315462086.db2.gz WDNIRJAVHTWBTR-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C[C@](C)(O)C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001252553238 1315467799 /nfs/dbraw/zinc/46/77/99/1315467799.db2.gz UYBXMAASWLRXBZ-IBGZPJMESA-N 2 0 329.488 2.695 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219695 1315476294 /nfs/dbraw/zinc/47/62/94/1315476294.db2.gz SUHMCIXHKFPHCX-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243740 1315514430 /nfs/dbraw/zinc/51/44/30/1315514430.db2.gz NDVCZDQKYFLGLL-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039134490 1315518686 /nfs/dbraw/zinc/51/86/86/1315518686.db2.gz QPTUGYPOEDVBOA-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134859 1315519127 /nfs/dbraw/zinc/51/91/27/1315519127.db2.gz TXNPUAPWYOVBMZ-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039136401 1315521929 /nfs/dbraw/zinc/52/19/29/1315521929.db2.gz JOUXJMZUDLUXAG-PMACEKPBSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136565 1315522681 /nfs/dbraw/zinc/52/26/81/1315522681.db2.gz AFCHPUMLLFFOLH-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140907 1315529543 /nfs/dbraw/zinc/52/95/43/1315529543.db2.gz KOECVJLVUVPEFD-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039154820 1315550545 /nfs/dbraw/zinc/55/05/45/1315550545.db2.gz HHMKJYQTUMOHFO-KRWDZBQOSA-N 2 0 345.487 2.701 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557413 1315552006 /nfs/dbraw/zinc/55/20/06/1315552006.db2.gz FFKOUEWIRJHAET-VAMGGRTRSA-N 2 0 347.547 2.831 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165421 1315565352 /nfs/dbraw/zinc/56/53/52/1315565352.db2.gz PVVKNLBHAHCDJZ-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167663 1315569289 /nfs/dbraw/zinc/56/92/89/1315569289.db2.gz ZTBLHFXOVRTBEG-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168322 1315571091 /nfs/dbraw/zinc/57/10/91/1315571091.db2.gz TZRBSQZHTNLRJF-FQEVSTJZSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221657268 1315571534 /nfs/dbraw/zinc/57/15/34/1315571534.db2.gz QAVUYPKARFTZOL-QZTJIDSGSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC001039173590 1315578326 /nfs/dbraw/zinc/57/83/26/1315578326.db2.gz ABRGVKZTESDSFD-KRWDZBQOSA-N 2 0 342.487 2.508 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179925 1315586651 /nfs/dbraw/zinc/58/66/51/1315586651.db2.gz JDJJSSBVPFICPC-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219340 1315639454 /nfs/dbraw/zinc/63/94/54/1315639454.db2.gz SHGLUONULKPCFD-PKOBYXMFSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228593 1315650297 /nfs/dbraw/zinc/65/02/97/1315650297.db2.gz GJLWBRQANPREMP-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228595 1315651038 /nfs/dbraw/zinc/65/10/38/1315651038.db2.gz GJLWBRQANPREMP-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235514 1315659781 /nfs/dbraw/zinc/65/97/81/1315659781.db2.gz XZMHZBNXGWHYDQ-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236349 1315660419 /nfs/dbraw/zinc/66/04/19/1315660419.db2.gz ZHUKSVDNPOBZNE-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236862 1315661453 /nfs/dbraw/zinc/66/14/53/1315661453.db2.gz FVVJWAXJRJOLBO-FUHWJXTLSA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237343 1315662998 /nfs/dbraw/zinc/66/29/98/1315662998.db2.gz HLIKIJYYUPREJI-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239936 1315666442 /nfs/dbraw/zinc/66/64/42/1315666442.db2.gz SKJFMQDKACPBSS-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP N#CCC1([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001254053707 1315669246 /nfs/dbraw/zinc/66/92/46/1315669246.db2.gz AXNBFYAJFPZKCR-UHFFFAOYSA-N 2 0 327.472 2.830 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243832 1315672526 /nfs/dbraw/zinc/67/25/26/1315672526.db2.gz WMCSSRCCGQXAKK-IRXDYDNUSA-N 2 0 339.911 2.538 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244838 1315673665 /nfs/dbraw/zinc/67/36/65/1315673665.db2.gz ZDSXMLXEKRTDIF-PMACEKPBSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250167 1315681399 /nfs/dbraw/zinc/68/13/99/1315681399.db2.gz JGPOILWHRMDXFW-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039277959 1315698740 /nfs/dbraw/zinc/69/87/40/1315698740.db2.gz QIXRMDMLIRNCOP-ALOPSCKCSA-N 2 0 345.512 2.558 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039282179 1315700553 /nfs/dbraw/zinc/70/05/53/1315700553.db2.gz FPCDDDQVEPCIFT-IPQPSQTFSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039282029 1315700555 /nfs/dbraw/zinc/70/05/55/1315700555.db2.gz HHAIZVFZGLEZJW-WTXIUTQJSA-N 2 0 327.900 2.581 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039288841 1315703222 /nfs/dbraw/zinc/70/32/22/1315703222.db2.gz IYYSVTMYZWXHDZ-HRVKUGKESA-N 2 0 333.520 2.937 20 30 EFEDRP C=CCC[N@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001001538 1315704047 /nfs/dbraw/zinc/70/40/47/1315704047.db2.gz LAMVLBFRHPSIQC-UHFFFAOYSA-N 2 0 341.499 2.729 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039294531 1315705645 /nfs/dbraw/zinc/70/56/45/1315705645.db2.gz HHAIZVFZGLEZJW-UYTSQGDYSA-N 2 0 327.900 2.581 20 30 EFEDRP C[N@@H+]1CCC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254506808 1315711173 /nfs/dbraw/zinc/71/11/73/1315711173.db2.gz ARYFWVYHYLWVDL-IBGZPJMESA-N 2 0 326.488 2.619 20 30 EFEDRP CC(N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001254600183 1315729444 /nfs/dbraw/zinc/72/94/44/1315729444.db2.gz QLYSSAPBUUHMAM-GOSISDBHSA-N 2 0 338.411 2.729 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001522409 1315735442 /nfs/dbraw/zinc/73/54/42/1315735442.db2.gz MTUYUZMMXMQTEI-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406265 1315770669 /nfs/dbraw/zinc/77/06/69/1315770669.db2.gz MIRYSIXJAUHXCD-MJGOQNOKSA-N 2 0 338.455 2.979 20 30 EFEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255110071 1315776824 /nfs/dbraw/zinc/77/68/24/1315776824.db2.gz YUKQGGYHWIRAJG-OAQYLSRUSA-N 3 0 336.483 2.928 20 30 EFEDRP CC[C@H](CC#N)[NH2+]CCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255151432 1315783078 /nfs/dbraw/zinc/78/30/78/1315783078.db2.gz BAMHKGKJFGHICP-MRXNPFEDSA-N 2 0 338.496 2.601 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424833 1315783578 /nfs/dbraw/zinc/78/35/78/1315783578.db2.gz IJZKIGKQSOXGOU-OKYOBFRVSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001039437452 1315791289 /nfs/dbraw/zinc/79/12/89/1315791289.db2.gz LLSWMADTDRHWFF-UXHICEINSA-N 2 0 341.499 2.656 20 30 EFEDRP C=CC[NH+]1CCC2(CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)CC1 ZINC001050661552 1315791760 /nfs/dbraw/zinc/79/17/60/1315791760.db2.gz YNSMSMMKHDHGGG-UHFFFAOYSA-N 2 0 341.499 2.515 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039448057 1315797418 /nfs/dbraw/zinc/79/74/18/1315797418.db2.gz USNKJQBNEGKWAO-CEXWTWQISA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447805 1315797657 /nfs/dbraw/zinc/79/76/57/1315797657.db2.gz KPVDRYWSDKUKHW-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766529 1315809994 /nfs/dbraw/zinc/80/99/94/1315809994.db2.gz QHMWFUZCEWJIDT-HOTGVXAUSA-N 2 0 339.911 2.536 20 30 EFEDRP [NH2+]=C(N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC001255385308 1315814324 /nfs/dbraw/zinc/81/43/24/1315814324.db2.gz GDVKGCMSLPGZJN-KRWDZBQOSA-N 2 0 326.419 2.981 20 30 EFEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474473 1315817414 /nfs/dbraw/zinc/81/74/14/1315817414.db2.gz KBKCKALTTPJXAS-HSALFYBXSA-N 2 0 345.531 2.586 20 30 EFEDRP CN1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255477909 1315828347 /nfs/dbraw/zinc/82/83/47/1315828347.db2.gz QINYLYQXDSRMEO-VAMGGRTRSA-N 2 0 326.488 2.724 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001256201401 1315916205 /nfs/dbraw/zinc/91/62/05/1315916205.db2.gz BEIDGKYATSPCMU-UHFFFAOYSA-N 2 0 335.492 2.581 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256567570 1315960688 /nfs/dbraw/zinc/96/06/88/1315960688.db2.gz WGMTUEBMNVBHKW-UHFFFAOYSA-N 2 0 337.508 2.874 20 30 EFEDRP N#Cc1cccc(OCCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256852021 1315998830 /nfs/dbraw/zinc/99/88/30/1315998830.db2.gz ABDFSVQCDUEOQF-UHFFFAOYSA-N 2 0 336.439 2.981 20 30 EFEDRP C[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256954190 1316014555 /nfs/dbraw/zinc/01/45/55/1316014555.db2.gz ZKHHMSIRDFOGHJ-UHFFFAOYSA-N 2 0 326.488 2.606 20 30 EFEDRP C[NH+](C)CCN1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257015839 1316021572 /nfs/dbraw/zinc/02/15/72/1316021572.db2.gz POUXUIZCXAEXKO-UHFFFAOYSA-N 2 0 340.515 2.764 20 30 EFEDRP N#Cc1ccc(C2CCC([NH+]3CCN(CCCC[NH3+])CC3)CC2)cc1 ZINC001257015886 1316021703 /nfs/dbraw/zinc/02/17/03/1316021703.db2.gz QWLCPZWDYZUDLE-UHFFFAOYSA-N 2 0 340.515 2.941 20 30 EFEDRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001257212235 1316046970 /nfs/dbraw/zinc/04/69/70/1316046970.db2.gz XWRPMMOXDLHAGJ-UHFFFAOYSA-N 2 0 340.515 2.985 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229612 1316153622 /nfs/dbraw/zinc/15/36/22/1316153622.db2.gz UTGGPZWDNAZUII-IBGZPJMESA-N 2 0 347.528 2.924 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233368 1316156837 /nfs/dbraw/zinc/15/68/37/1316156837.db2.gz ZCBHCMZWRWWAIX-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040241137 1316160391 /nfs/dbraw/zinc/16/03/91/1316160391.db2.gz MFFHNZOJRBEWED-CTNGQTDRSA-N 2 0 347.547 2.855 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240773 1316160401 /nfs/dbraw/zinc/16/04/01/1316160401.db2.gz JJKHJEBFHNZCOW-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240855 1316160663 /nfs/dbraw/zinc/16/06/63/1316160663.db2.gz KACNOSAEDALYEE-PZJWPPBQSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040241141 1316160817 /nfs/dbraw/zinc/16/08/17/1316160817.db2.gz MFFHNZOJRBEWED-PZJWPPBQSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241308 1316161254 /nfs/dbraw/zinc/16/12/54/1316161254.db2.gz NEEBJIKMLARJPA-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242522 1316162219 /nfs/dbraw/zinc/16/22/19/1316162219.db2.gz YQFUDPCOASZIGG-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001258717161 1316173115 /nfs/dbraw/zinc/17/31/15/1316173115.db2.gz JGBUPWYLDRZGNC-MJGOQNOKSA-N 2 0 343.515 2.746 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040264740 1316173674 /nfs/dbraw/zinc/17/36/74/1316173674.db2.gz QWETZEFYGTVOBN-FQEVSTJZSA-N 2 0 336.439 2.514 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264575 1316173833 /nfs/dbraw/zinc/17/38/33/1316173833.db2.gz PQUGKGTVNPTCEV-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258728921 1316173946 /nfs/dbraw/zinc/17/39/46/1316173946.db2.gz RRAWZIJMMAZCJX-BHIYHBOVSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730307 1316174330 /nfs/dbraw/zinc/17/43/30/1316174330.db2.gz DQOBYYCXWSSWMV-MISYRCLQSA-N 2 0 329.488 2.959 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CCC)CC1)CC2 ZINC001258773309 1316176587 /nfs/dbraw/zinc/17/65/87/1316176587.db2.gz GQEFTHOSIYNRKJ-FQEVSTJZSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279958 1316180561 /nfs/dbraw/zinc/18/05/61/1316180561.db2.gz BNLLNWGRCBSFJJ-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347426 1316213838 /nfs/dbraw/zinc/21/38/38/1316213838.db2.gz KXDLHXUGKJLJSD-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040378729 1316230134 /nfs/dbraw/zinc/23/01/34/1316230134.db2.gz GKQQMADULMFBGG-QUCCMNQESA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430892 1316260800 /nfs/dbraw/zinc/26/08/00/1316260800.db2.gz DKRXIQJLFZTSNN-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433250 1316263267 /nfs/dbraw/zinc/26/32/67/1316263267.db2.gz VCCJJENGBATMEM-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040476890 1316284901 /nfs/dbraw/zinc/28/49/01/1316284901.db2.gz AKAUEFUSKUDHRO-OAQYLSRUSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480085 1316287165 /nfs/dbraw/zinc/28/71/65/1316287165.db2.gz RMZJEYBPNYCQJK-OAQYLSRUSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487715 1316289208 /nfs/dbraw/zinc/28/92/08/1316289208.db2.gz GNAZEIRBSJSWAY-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040489317 1316290111 /nfs/dbraw/zinc/29/01/11/1316290111.db2.gz OFIDSCWOFSMLGF-NRFANRHFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040489318 1316290479 /nfs/dbraw/zinc/29/04/79/1316290479.db2.gz OFIDSCWOFSMLGF-OAQYLSRUSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492683 1316292119 /nfs/dbraw/zinc/29/21/19/1316292119.db2.gz DFKZHAVUFNJSPS-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544783 1316316413 /nfs/dbraw/zinc/31/64/13/1316316413.db2.gz ZXYLQUXJNJNHGA-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040701381 1316354658 /nfs/dbraw/zinc/35/46/58/1316354658.db2.gz JHVPGFHWOQGTGJ-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040702250 1316355077 /nfs/dbraw/zinc/35/50/77/1316355077.db2.gz SPXQXGMJNNEYCQ-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733195 1316362993 /nfs/dbraw/zinc/36/29/93/1316362993.db2.gz QEJREQZTTUPOHC-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001040774391 1316372215 /nfs/dbraw/zinc/37/22/15/1316372215.db2.gz MBRCKNAESCFGJB-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040798401 1316376696 /nfs/dbraw/zinc/37/66/96/1316376696.db2.gz NCULNDONTZJHTP-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040874124 1316394122 /nfs/dbraw/zinc/39/41/22/1316394122.db2.gz CTFFSELEWIWCOV-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738380 1316410754 /nfs/dbraw/zinc/41/07/54/1316410754.db2.gz RESKNTHRDCYYRL-GOSISDBHSA-N 2 0 345.531 2.751 20 30 EFEDRP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC001261436369 1316412132 /nfs/dbraw/zinc/41/21/32/1316412132.db2.gz ZWUXXKMXWIQXBD-INIZCTEOSA-N 2 0 328.460 2.598 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285694 1316502461 /nfs/dbraw/zinc/50/24/61/1316502461.db2.gz GJWIHWJHOSDIBH-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605860 1316617617 /nfs/dbraw/zinc/61/76/17/1316617617.db2.gz NLOBMYWTGQULMD-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724848 1316667068 /nfs/dbraw/zinc/66/70/68/1316667068.db2.gz GMMIZMXLTBDBTM-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725147 1316668081 /nfs/dbraw/zinc/66/80/81/1316668081.db2.gz KSWIGRHCUAWLSE-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782551 1316696356 /nfs/dbraw/zinc/69/63/56/1316696356.db2.gz AHEIERSTKIVWRY-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782234 1316696729 /nfs/dbraw/zinc/69/67/29/1316696729.db2.gz TWJWABNYUBZNSF-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844649 1316730890 /nfs/dbraw/zinc/73/08/90/1316730890.db2.gz BUVRFOVDQZTVKW-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846061 1316732122 /nfs/dbraw/zinc/73/21/22/1316732122.db2.gz WJVOEVGTXBPNKN-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845575 1316732205 /nfs/dbraw/zinc/73/22/05/1316732205.db2.gz IRXLTMBXYXDNNB-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845971 1316732401 /nfs/dbraw/zinc/73/24/01/1316732401.db2.gz UJCINGFWJOIURU-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062888 1316852945 /nfs/dbraw/zinc/85/29/45/1316852945.db2.gz PCJJOGMYQNGHTN-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125502 1316896684 /nfs/dbraw/zinc/89/66/84/1316896684.db2.gz UZYNDCSGNXVXRB-IEBWSBKVSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001042234205 1316997895 /nfs/dbraw/zinc/99/78/95/1316997895.db2.gz LBJHJQMQLLXYMC-AZUAARDMSA-N 2 0 341.499 2.513 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308376 1317128602 /nfs/dbraw/zinc/12/86/02/1317128602.db2.gz UWIBGHLQKHNCQE-AZUAARDMSA-N 2 0 345.531 2.607 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccncc4)C[C@H]3CC2)cc1C#N ZINC001279179597 1317204923 /nfs/dbraw/zinc/20/49/23/1317204923.db2.gz ZFRAHSVLIPSXLR-BGYRXZFFSA-N 2 0 349.482 2.636 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365842 1317217668 /nfs/dbraw/zinc/21/76/68/1317217668.db2.gz RCQXROJKQDCPAQ-QUCCMNQESA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368127 1317222854 /nfs/dbraw/zinc/22/28/54/1317222854.db2.gz ODHCINKOBPYDJU-YLJYHZDGSA-N 2 0 341.499 2.861 20 30 EFEDRP N#CCc1ccccc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279376078 1317250297 /nfs/dbraw/zinc/25/02/97/1317250297.db2.gz PBAGVNZZQNBXAK-UHFFFAOYSA-N 2 0 349.482 2.547 20 30 EFEDRP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)cc[nH+]1 ZINC001279785043 1317385878 /nfs/dbraw/zinc/38/58/78/1317385878.db2.gz BRMBYKBZXWJMBP-KDURUIRLSA-N 2 0 349.482 2.949 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001319132478 1328785700 /nfs/dbraw/zinc/78/57/00/1328785700.db2.gz NHVVDDRBBHUMLT-AZUAARDMSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001323636276 1329556440 /nfs/dbraw/zinc/55/64/40/1329556440.db2.gz BWTBSVQJAMXFKB-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC[C@@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001338385208 1331701770 /nfs/dbraw/zinc/70/17/70/1331701770.db2.gz XLCJAJBTRPUGTF-SJORKVTESA-N 2 0 338.540 2.620 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001340400311 1332188010 /nfs/dbraw/zinc/18/80/10/1332188010.db2.gz OKKZKBFOIVGCSI-LJQANCHMSA-N 2 0 344.503 2.839 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCC1 ZINC001495963168 1332197968 /nfs/dbraw/zinc/19/79/68/1332197968.db2.gz DIQDJQPMVQISJL-OAHLLOKOSA-N 2 0 327.900 2.632 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001340881816 1332216875 /nfs/dbraw/zinc/21/68/75/1332216875.db2.gz TXSIRNWGPMBVGJ-YQQAZPJKSA-N 2 0 335.517 2.931 20 30 EFEDRP C#CC[NH+]1CCC(OC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001346150948 1332605340 /nfs/dbraw/zinc/60/53/40/1332605340.db2.gz PVHXOCCJSPVXHK-UHFFFAOYSA-N 2 0 326.440 2.537 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001001751018 1333438574 /nfs/dbraw/zinc/43/85/74/1333438574.db2.gz GJOAZQQBYDBHDT-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756054 1333445718 /nfs/dbraw/zinc/44/57/18/1333445718.db2.gz DACMHSWRCYCVRW-FQEVSTJZSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001001831825 1333571640 /nfs/dbraw/zinc/57/16/40/1333571640.db2.gz AMJFKLIJCYTFDV-SFHVURJKSA-N 2 0 344.503 2.548 20 30 EFEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001100679977 1334559918 /nfs/dbraw/zinc/55/99/18/1334559918.db2.gz YSESEQHQKGAKAV-RJYAGPCLSA-N 2 0 339.499 2.650 20 30 EFEDRP C=CCCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001100681884 1334564867 /nfs/dbraw/zinc/56/48/67/1334564867.db2.gz WHYOQNNULJXCSM-UHFFFAOYSA-N 2 0 343.515 2.612 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200841358 1334651324 /nfs/dbraw/zinc/65/13/24/1334651324.db2.gz QLKYJILZPZWFJS-DOTOQJQBSA-N 2 0 327.488 2.602 20 30 EFEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000849056197 1335061752 /nfs/dbraw/zinc/06/17/52/1335061752.db2.gz ZIBUMVLNWAXMGT-HXUWFJFHSA-N 2 0 338.499 2.867 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001357374257 1335305749 /nfs/dbraw/zinc/30/57/49/1335305749.db2.gz AHHQMQHUHGYGSL-OAHLLOKOSA-N 2 0 339.867 2.903 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001357458665 1335308254 /nfs/dbraw/zinc/30/82/54/1335308254.db2.gz ZDSNVCSKUDQHFW-UFYCRDLUSA-N 2 0 343.515 2.869 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570787 1335316930 /nfs/dbraw/zinc/31/69/30/1335316930.db2.gz OZFKADNGEMVWAX-QRQLOZEOSA-N 2 0 329.488 2.697 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001366065712 1337358754 /nfs/dbraw/zinc/35/87/54/1337358754.db2.gz DFBIVGPJEGIEKW-KRWDZBQOSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001367202657 1338509567 /nfs/dbraw/zinc/50/95/67/1338509567.db2.gz YYROVRZDXFBPOT-GOSISDBHSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001368342026 1339307126 /nfs/dbraw/zinc/30/71/26/1339307126.db2.gz PTYMIORQUAFRSX-ACHSLPGTSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)C2 ZINC001368350750 1339311591 /nfs/dbraw/zinc/31/15/91/1339311591.db2.gz MENHVVFXSHSHMH-BJWYYQGGSA-N 2 0 341.927 2.830 20 30 EFEDRP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001371848698 1340721265 /nfs/dbraw/zinc/72/12/65/1340721265.db2.gz ZHQUDSNDXXZOQL-INIZCTEOSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374362426 1341799029 /nfs/dbraw/zinc/79/90/29/1341799029.db2.gz GPOCDPSYUXJSBL-QGZVFWFLSA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001374569799 1342082596 /nfs/dbraw/zinc/08/25/96/1342082596.db2.gz FWYNDMFOCCNZPF-ROUUACIJSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001376614821 1343721598 /nfs/dbraw/zinc/72/15/98/1343721598.db2.gz CLLIGHXVPFTPKM-JKSUJKDBSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001379552938 1345851730 /nfs/dbraw/zinc/85/17/30/1345851730.db2.gz MJGKQJPKHIQPQS-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001380086397 1347509419 /nfs/dbraw/zinc/50/94/19/1347509419.db2.gz IIEMBTFZRFTWMK-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001380266107 1347561473 /nfs/dbraw/zinc/56/14/73/1347561473.db2.gz AQPJHRCJJHURCN-AWEZNQCLSA-N 2 0 341.908 2.756 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001380327979 1347596655 /nfs/dbraw/zinc/59/66/55/1347596655.db2.gz JRDOKKVOKAYBNJ-QGZVFWFLSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001380327978 1347596659 /nfs/dbraw/zinc/59/66/59/1347596659.db2.gz JRDOKKVOKAYBNJ-KRWDZBQOSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001380685578 1347812843 /nfs/dbraw/zinc/81/28/43/1347812843.db2.gz UGUWKSLUWLZZPF-QAPCUYQASA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001390579510 1354184518 /nfs/dbraw/zinc/18/45/18/1354184518.db2.gz SMCTXEKMEYRDNU-INIZCTEOSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001391808732 1355551106 /nfs/dbraw/zinc/55/11/06/1355551106.db2.gz LFITXYCIFCKUTI-YOEHRIQHSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@H]1C ZINC001391808381 1355551131 /nfs/dbraw/zinc/55/11/31/1355551131.db2.gz LFITXYCIFCKUTI-PBHICJAKSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001391884005 1355620182 /nfs/dbraw/zinc/62/01/82/1355620182.db2.gz CTLOTIZGSBOTAN-HOCLYGCPSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001392739474 1356297078 /nfs/dbraw/zinc/29/70/78/1356297078.db2.gz WZRRTVBZHJJZAM-HZPDHXFCSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001394833400 1358134705 /nfs/dbraw/zinc/13/47/05/1358134705.db2.gz JXYGHUBSDKRZQM-MRXNPFEDSA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001394858873 1358165577 /nfs/dbraw/zinc/16/55/77/1358165577.db2.gz GRROIVCVMRQTJP-UHFFFAOYSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060666 1387389900 /nfs/dbraw/zinc/38/99/00/1387389900.db2.gz RDYFMZVZMNPELZ-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001400950990 1362290653 /nfs/dbraw/zinc/29/06/53/1362290653.db2.gz FQHXXYRJTNSVBH-MRXNPFEDSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001401232925 1362570525 /nfs/dbraw/zinc/57/05/25/1362570525.db2.gz KYLLTKXMSDOKLV-OAHLLOKOSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001401302028 1362647426 /nfs/dbraw/zinc/64/74/26/1362647426.db2.gz VKLAASNQFMKFKS-DZGCQCFKSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001401850477 1363186979 /nfs/dbraw/zinc/18/69/79/1363186979.db2.gz ILOIMXDVIVWHID-INIZCTEOSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCC1 ZINC001402093688 1363399431 /nfs/dbraw/zinc/39/94/31/1363399431.db2.gz BGQCTBDTGZWBSZ-MRXNPFEDSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)CN1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402120508 1363426105 /nfs/dbraw/zinc/42/61/05/1363426105.db2.gz AVRIIKHHTLRGAH-KRWDZBQOSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001402531045 1363764221 /nfs/dbraw/zinc/76/42/21/1363764221.db2.gz OCRYCUJTMVITBW-MRXNPFEDSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)CN(CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001418551422 1374166593 /nfs/dbraw/zinc/16/65/93/1374166593.db2.gz YPWHVLZQHZJONC-INIZCTEOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)CN1CCC(N(CCC)C(=O)CC[N@H+](C)CC)CC1 ZINC001419205159 1374950841 /nfs/dbraw/zinc/95/08/41/1374950841.db2.gz HVNOSLLAJSWXBD-UHFFFAOYSA-N 2 0 329.916 2.784 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001419332829 1375116629 /nfs/dbraw/zinc/11/66/29/1375116629.db2.gz JSTMNINWBPYNSC-KRWDZBQOSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001419636519 1375603623 /nfs/dbraw/zinc/60/36/23/1375603623.db2.gz YEVOFKAYDIACFH-UHFFFAOYSA-N 2 0 327.900 2.634 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001421651447 1378947619 /nfs/dbraw/zinc/94/76/19/1378947619.db2.gz DRLCBPZOPIIJAR-BZUAXINKSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001421722210 1379037346 /nfs/dbraw/zinc/03/73/46/1379037346.db2.gz VIJSEVGUKYYYCH-QGZVFWFLSA-N 2 0 341.927 2.976 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001422031117 1379515577 /nfs/dbraw/zinc/51/55/77/1379515577.db2.gz PEHVBDXJOLATMP-RDJZCZTQSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001422041426 1379531716 /nfs/dbraw/zinc/53/17/16/1379531716.db2.gz QHIKLYLBESVCLO-NVXWUHKLSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001422045779 1379537851 /nfs/dbraw/zinc/53/78/51/1379537851.db2.gz FKGYVVARFZNNDU-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001422100376 1379611102 /nfs/dbraw/zinc/61/11/02/1379611102.db2.gz LQHKKADCSVTEKV-INIZCTEOSA-N 2 0 334.851 2.739 20 30 EFEDRP CC[NH+]1CCC(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001423300311 1381758726 /nfs/dbraw/zinc/75/87/26/1381758726.db2.gz WXQUIFSRCBBPNE-UHFFFAOYSA-N 2 0 340.515 2.844 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001440423510 1389621350 /nfs/dbraw/zinc/62/13/50/1389621350.db2.gz VBQHHLVRNRPUGP-ZBFHGGJFSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001506980562 1406543108 /nfs/dbraw/zinc/54/31/08/1406543108.db2.gz VBTHZMZYKDWJBG-OALUTQOASA-N 2 0 329.488 2.884 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001479984722 1398069741 /nfs/dbraw/zinc/06/97/41/1398069741.db2.gz HKHMXONTWARKRX-HNNXBMFYSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494718407 1399441912 /nfs/dbraw/zinc/44/19/12/1399441912.db2.gz JNUBVOWNAJOEMJ-MJGOQNOKSA-N 2 0 343.515 2.950 20 30 EFEDRP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001495093127 1399656970 /nfs/dbraw/zinc/65/69/70/1399656970.db2.gz PESIICRKEGHGEC-ZWKOTPCHSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001495469382 1400006537 /nfs/dbraw/zinc/00/65/37/1400006537.db2.gz FHEQTKXCZUXNTJ-JYJNAYRXSA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001508035569 1407256231 /nfs/dbraw/zinc/25/62/31/1407256231.db2.gz MLDJUSHSONWRJM-OAHLLOKOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001566771836 1415769498 /nfs/dbraw/zinc/76/94/98/1415769498.db2.gz BAMYJGRTUQYYFM-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP CC[C@H](C(=O)NCCC[N@H+](CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001567651066 1416231217 /nfs/dbraw/zinc/23/12/17/1416231217.db2.gz AERDXBXTHYMZMB-HXUWFJFHSA-N 2 0 343.515 2.595 20 30 EFEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001724049780 1424635672 /nfs/dbraw/zinc/63/56/72/1424635672.db2.gz DZTWFQGODLMFJX-HXUWFJFHSA-N 2 0 347.547 2.833 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153930 712940362 /nfs/dbraw/zinc/94/03/62/712940362.db2.gz SRWOHOMQEJEKBE-FQEVSTJZSA-N 2 0 341.499 2.746 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000969158752 712944011 /nfs/dbraw/zinc/94/40/11/712944011.db2.gz SJRVTXJLJBXTNW-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153571 713533188 /nfs/dbraw/zinc/53/31/88/713533188.db2.gz BXDQUBFWEITQQX-RBUKOAKNSA-N 2 0 335.536 2.709 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970214567 713559682 /nfs/dbraw/zinc/55/96/82/713559682.db2.gz SSPBWOPALTZVIA-KRWDZBQOSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980218407 717933077 /nfs/dbraw/zinc/93/30/77/717933077.db2.gz NDVVELYBOCEDPS-UFYCRDLUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(Cl)CN1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607872 714169558 /nfs/dbraw/zinc/16/95/58/714169558.db2.gz YBVAEOSTYBCPSI-WBVHZDCISA-N 2 0 339.911 2.536 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021635001 714213117 /nfs/dbraw/zinc/21/31/17/714213117.db2.gz GZJSMLGRXQCNHT-VQIMIIECSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671916 714275419 /nfs/dbraw/zinc/27/54/19/714275419.db2.gz XHFJZHZQESQBAS-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021705938 714344665 /nfs/dbraw/zinc/34/46/65/714344665.db2.gz HJOKLIZWHRXZGG-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711381 714349275 /nfs/dbraw/zinc/34/92/75/714349275.db2.gz VYCBWRCWPSGDHE-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738903 714401184 /nfs/dbraw/zinc/40/11/84/714401184.db2.gz DSDJUMCBRVREQP-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC000980251068 717980468 /nfs/dbraw/zinc/98/04/68/717980468.db2.gz FULBZSSOCAXMCA-QXAKKESOSA-N 2 0 341.499 2.765 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617868 718027129 /nfs/dbraw/zinc/02/71/29/718027129.db2.gz MHBGODALIBDDHI-UXHICEINSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618115 718031114 /nfs/dbraw/zinc/03/11/14/718031114.db2.gz QGTOWGOABFZZJS-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP COc1cccc(NC(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000104162964 715254337 /nfs/dbraw/zinc/25/43/37/715254337.db2.gz VHTOATCIXTUVAF-UHFFFAOYSA-N 2 0 342.443 2.562 20 30 EFEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038988 715443966 /nfs/dbraw/zinc/44/39/66/715443966.db2.gz MHJFTGMIGNLVJZ-BEFAXECRSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158018 715450917 /nfs/dbraw/zinc/45/09/17/715450917.db2.gz JJCKBOKHAYFXFT-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975065538 715466634 /nfs/dbraw/zinc/46/66/34/715466634.db2.gz UIFIWEDCBHDGEZ-IBGZPJMESA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000985469461 724438983 /nfs/dbraw/zinc/43/89/83/724438983.db2.gz FAPOHCJORJVWGC-IBGZPJMESA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442660 716217970 /nfs/dbraw/zinc/21/79/70/716217970.db2.gz WZDDBYYTQIRGEI-GOSISDBHSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647314 716306471 /nfs/dbraw/zinc/30/64/71/716306471.db2.gz NMAMFBFSLIPSQY-AZUAARDMSA-N 2 0 329.488 2.572 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542043 716374039 /nfs/dbraw/zinc/37/40/39/716374039.db2.gz HEIKEYNAKCUHGO-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409977 716430322 /nfs/dbraw/zinc/43/03/22/716430322.db2.gz KHKRIQYFQCIYSE-OALUTQOASA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)CN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646173 716438318 /nfs/dbraw/zinc/43/83/18/716438318.db2.gz VXPQAZUBTOIALD-QGZVFWFLSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414106 716439305 /nfs/dbraw/zinc/43/93/05/716439305.db2.gz MTZLCFIBZPPZJW-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023490123 716535686 /nfs/dbraw/zinc/53/56/86/716535686.db2.gz UKSVTDKAWWDZKW-MRXNPFEDSA-N 2 0 326.444 2.742 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692265 716539666 /nfs/dbraw/zinc/53/96/66/716539666.db2.gz DKTKGIKSDPBJAK-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508057 716557928 /nfs/dbraw/zinc/55/79/28/716557928.db2.gz HEZGPCIEUOZFNP-GOSISDBHSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978951541 716598606 /nfs/dbraw/zinc/59/86/06/716598606.db2.gz QBKSRVQGPXSIHU-HAGHYFMRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552726 716616596 /nfs/dbraw/zinc/61/65/96/716616596.db2.gz MBILSASEZJRMKZ-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568321 716634990 /nfs/dbraw/zinc/63/49/90/716634990.db2.gz KVBCZQLXZDRVTP-WMZOPIPTSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027577281 716717502 /nfs/dbraw/zinc/71/75/02/716717502.db2.gz IFJKREXGMNEQSZ-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979109868 716728488 /nfs/dbraw/zinc/72/84/88/716728488.db2.gz BHNKGUVGVFQGBT-NNZMDNLPSA-N 2 0 345.487 2.605 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001023760449 716973509 /nfs/dbraw/zinc/97/35/09/716973509.db2.gz WJHIJDZBOBRKQN-LJQANCHMSA-N 2 0 347.547 2.596 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769761 716990830 /nfs/dbraw/zinc/99/08/30/716990830.db2.gz FLMBHJVRORBISS-QGZVFWFLSA-N 2 0 345.487 2.587 20 30 EFEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176968487 717331735 /nfs/dbraw/zinc/33/17/35/717331735.db2.gz NSOLVYLALOMIDJ-LBPRGKRZSA-N 2 0 346.397 2.720 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980002378 717654646 /nfs/dbraw/zinc/65/46/46/717654646.db2.gz QPIDUQUIHOPJAJ-FHWLQOOXSA-N 2 0 345.531 2.655 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440071 717737650 /nfs/dbraw/zinc/73/76/50/717737650.db2.gz KGGCKAMLXQADEK-AZUAARDMSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980144963 717793360 /nfs/dbraw/zinc/79/33/60/717793360.db2.gz RWCPYZAVPUVURA-KSZLIROESA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885648 717834778 /nfs/dbraw/zinc/83/47/78/717834778.db2.gz HKOVTUUONBSTAT-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980182220 717851103 /nfs/dbraw/zinc/85/11/03/717851103.db2.gz CDXVWBQFUNCMJO-OTWHNJEPSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711932 718101782 /nfs/dbraw/zinc/10/17/82/718101782.db2.gz NFKRAENZLKMGHI-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000981091592 718114944 /nfs/dbraw/zinc/11/49/44/718114944.db2.gz OQXWAASZKOMZTO-DLBZAZTESA-N 2 0 326.444 2.849 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC000981091593 718115024 /nfs/dbraw/zinc/11/50/24/718115024.db2.gz OQXWAASZKOMZTO-IAGOWNOFSA-N 2 0 326.444 2.849 20 30 EFEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024752171 718138254 /nfs/dbraw/zinc/13/82/54/718138254.db2.gz QGHPZPYYEYVFKF-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981165465 718169764 /nfs/dbraw/zinc/16/97/64/718169764.db2.gz DAUIZXRUEIDQLE-JKSUJKDBSA-N 2 0 339.911 2.632 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001024987861 718249711 /nfs/dbraw/zinc/24/97/11/718249711.db2.gz XPFPEQBWJKDOMQ-UXHICEINSA-N 2 0 343.515 2.555 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663291 718431980 /nfs/dbraw/zinc/43/19/80/718431980.db2.gz STQOMBFTELNQPJ-ZFWWWQNUSA-N 2 0 339.867 2.676 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244565 718463339 /nfs/dbraw/zinc/46/33/39/718463339.db2.gz WIVMYQMFJBECCL-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248293 718469049 /nfs/dbraw/zinc/46/90/49/718469049.db2.gz YBMRKDILQDPCEF-RBUKOAKNSA-N 2 0 338.455 2.979 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251857 718472736 /nfs/dbraw/zinc/47/27/36/718472736.db2.gz LKMWYBAXBQQECC-OALUTQOASA-N 2 0 338.455 2.979 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258819 718475125 /nfs/dbraw/zinc/47/51/25/718475125.db2.gz JIZLOWIBGGIYAO-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045653 718494567 /nfs/dbraw/zinc/49/45/67/718494567.db2.gz NSYYDBOOISISPI-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287821 718524587 /nfs/dbraw/zinc/52/45/87/718524587.db2.gz GVEBFQFGSPSRMB-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092644 718708390 /nfs/dbraw/zinc/70/83/90/718708390.db2.gz BBDVPKIDGLNFQL-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981463299 718738230 /nfs/dbraw/zinc/73/82/30/718738230.db2.gz GCFZAXHHLIPXQJ-KGLIPLIRSA-N 2 0 336.867 2.531 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981539808 718798720 /nfs/dbraw/zinc/79/87/20/718798720.db2.gz YLISTUYDASZDJN-MSOLQXFVSA-N 2 0 329.488 2.955 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542233 718800113 /nfs/dbraw/zinc/80/01/13/718800113.db2.gz SOFFOFQCDHOATP-PMACEKPBSA-N 2 0 345.531 2.539 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542235 718800323 /nfs/dbraw/zinc/80/03/23/718800323.db2.gz SOFFOFQCDHOATP-UXHICEINSA-N 2 0 345.531 2.539 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433707 718838368 /nfs/dbraw/zinc/83/83/68/718838368.db2.gz OHEFXPODGUBCFA-HZPDHXFCSA-N 2 0 347.528 2.663 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470664 718957614 /nfs/dbraw/zinc/95/76/14/718957614.db2.gz ZZLMOQHVAADSPI-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470663 718957683 /nfs/dbraw/zinc/95/76/83/718957683.db2.gz ZZLMOQHVAADSPI-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473208 718959510 /nfs/dbraw/zinc/95/95/10/718959510.db2.gz ARSGFRYAPXEJCZ-NVXWUHKLSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486367 719001482 /nfs/dbraw/zinc/00/14/82/719001482.db2.gz UBYDGPQSUKUTRV-HZPDHXFCSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486744 719001900 /nfs/dbraw/zinc/00/19/00/719001900.db2.gz WJTXJRAMTCRVMH-CVEARBPZSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492939 719020917 /nfs/dbraw/zinc/02/09/17/719020917.db2.gz HFWCNDFKDQDZJR-MJGOQNOKSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492938 719021215 /nfs/dbraw/zinc/02/12/15/719021215.db2.gz HFWCNDFKDQDZJR-IEBWSBKVSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515708 719052430 /nfs/dbraw/zinc/05/24/30/719052430.db2.gz MNQXGPUFLIOSJQ-HZPDHXFCSA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813813 719062174 /nfs/dbraw/zinc/06/21/74/719062174.db2.gz RATVEKIDHBXLEK-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813959 719062544 /nfs/dbraw/zinc/06/25/44/719062544.db2.gz SGVQMADNTXSSSL-SFHVURJKSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)CN1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981823027 719083260 /nfs/dbraw/zinc/08/32/60/719083260.db2.gz XGMBXIYIJBYPPG-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C#CCC[NH+]1CCCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000981861325 719139918 /nfs/dbraw/zinc/13/99/18/719139918.db2.gz MCPJFMIXFUWTSO-UHFFFAOYSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871158 719150820 /nfs/dbraw/zinc/15/08/20/719150820.db2.gz UHWLCJZZCISMKF-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591293 719183610 /nfs/dbraw/zinc/18/36/10/719183610.db2.gz ZQKJHMLUBXJLHV-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591294 719183959 /nfs/dbraw/zinc/18/39/59/719183959.db2.gz ZQKJHMLUBXJLHV-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627681 719248813 /nfs/dbraw/zinc/24/88/13/719248813.db2.gz AWVSEDNQSOKNPZ-ICSRJNTNSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628686 719251646 /nfs/dbraw/zinc/25/16/46/719251646.db2.gz TYYJOLZRVQMLLJ-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629318 719253537 /nfs/dbraw/zinc/25/35/37/719253537.db2.gz FSOYLICFVARAQH-ROUUACIJSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629679 719254421 /nfs/dbraw/zinc/25/44/21/719254421.db2.gz IQBRSLFRUBGVRA-ICSRJNTNSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279607 719788227 /nfs/dbraw/zinc/78/82/27/719788227.db2.gz AYUNSYHUEVTZAW-IZZBFERCSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982285564 719804752 /nfs/dbraw/zinc/80/47/52/719804752.db2.gz KZUANWIZSCDGEA-IZZBFERCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254563 719889978 /nfs/dbraw/zinc/88/99/78/719889978.db2.gz XGDXXGCQSNKLOV-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001026298829 720179943 /nfs/dbraw/zinc/17/99/43/720179943.db2.gz QKHIUMJUWUNYEB-RYQLBKOJSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001026303979 720189317 /nfs/dbraw/zinc/18/93/17/720189317.db2.gz IJBJOZYTISIPSY-BHYGNILZSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4nccn43)C[C@H]21 ZINC001026312287 720211283 /nfs/dbraw/zinc/21/12/83/720211283.db2.gz UIZFOFNYISIIJI-RRFJBIMHSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)CN1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335299 720384756 /nfs/dbraw/zinc/38/47/56/720384756.db2.gz RPNPWPMGAKZWQN-INIZCTEOSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342802 720396854 /nfs/dbraw/zinc/39/68/54/720396854.db2.gz GQZUMTMIOJQMFG-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001026397557 720485075 /nfs/dbraw/zinc/48/50/75/720485075.db2.gz FUYNBXYTCVJSCG-SLFFLAALSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]12 ZINC001026426000 720553715 /nfs/dbraw/zinc/55/37/15/720553715.db2.gz IISMXTZDZFNGKP-YZGWKJHDSA-N 2 0 341.499 2.765 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594462 724694022 /nfs/dbraw/zinc/69/40/22/724694022.db2.gz UWQIILSRTWJISB-IBGZPJMESA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001026506852 720684155 /nfs/dbraw/zinc/68/41/55/720684155.db2.gz GYLIWGVSUXWPCZ-TVPLGVNVSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001026519759 720702723 /nfs/dbraw/zinc/70/27/23/720702723.db2.gz UEPWJGBFLSOGHW-OFLPRAFFSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001026522593 720706277 /nfs/dbraw/zinc/70/62/77/720706277.db2.gz NVBFAHGMHPZMNS-UHFFFAOYSA-N 2 0 332.835 2.717 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001026594073 720789420 /nfs/dbraw/zinc/78/94/20/720789420.db2.gz MHMFUHLLLDCQOZ-UHFFFAOYSA-N 2 0 336.867 2.531 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982624001 720959947 /nfs/dbraw/zinc/95/99/47/720959947.db2.gz NWODZZKVRNMYDJ-SESVDKBCSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028572805 721035385 /nfs/dbraw/zinc/03/53/85/721035385.db2.gz DOSHNMKTXIKNBQ-OAHLLOKOSA-N 2 0 335.517 2.828 20 30 EFEDRP 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 ZINC000982725873 721131820 /nfs/dbraw/zinc/13/18/20/721131820.db2.gz PDCHWAQQPUWOJS-JYRKZWEQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830847 721301536 /nfs/dbraw/zinc/30/15/36/721301536.db2.gz BCBFCAHOEVPXJB-QGZVKYPTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982834389 721308170 /nfs/dbraw/zinc/30/81/70/721308170.db2.gz XVHDUHOVMSHXHY-OYRHEFFESA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974749187 721385723 /nfs/dbraw/zinc/38/57/23/721385723.db2.gz YKCXEBFFSGLAKJ-QGZVFWFLSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974780686 721427492 /nfs/dbraw/zinc/42/74/92/721427492.db2.gz UFOPJKAWPXBERK-QGZVFWFLSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000985681708 724791663 /nfs/dbraw/zinc/79/16/63/724791663.db2.gz BIJPDKALHUNZHH-INIZCTEOSA-N 2 0 341.927 2.926 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755187 721936143 /nfs/dbraw/zinc/93/61/43/721936143.db2.gz IJVPVEJHFQCEST-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921348 722097739 /nfs/dbraw/zinc/09/77/39/722097739.db2.gz QHWLKIWAGHMWCT-SFHVURJKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802327 723411563 /nfs/dbraw/zinc/41/15/63/723411563.db2.gz XYJYUHMGGUUMNT-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985746250 724851215 /nfs/dbraw/zinc/85/12/15/724851215.db2.gz JLWYRPPPDJXBCR-NRFANRHFSA-N 2 0 343.515 2.962 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000986964646 724995424 /nfs/dbraw/zinc/99/54/24/724995424.db2.gz ZZQMJPLXZRQYKP-CRAIPNDOSA-N 2 0 349.906 2.736 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276820 725666122 /nfs/dbraw/zinc/66/61/22/725666122.db2.gz BGKAWJXVNXZPQN-UYAOXDASSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992399582 725777905 /nfs/dbraw/zinc/77/79/05/725777905.db2.gz CJLORTDYBUNOOD-TZIWHRDSSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC000992864524 726302706 /nfs/dbraw/zinc/30/27/06/726302706.db2.gz YQXNKMHZEFYHKI-CGTJXYLNSA-N 2 0 342.487 2.554 20 30 EFEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153563453 726945564 /nfs/dbraw/zinc/94/55/64/726945564.db2.gz PUOZFPQZGYRBQQ-INIZCTEOSA-N 2 0 338.565 2.655 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498549 727283741 /nfs/dbraw/zinc/28/37/41/727283741.db2.gz FYBWOUUHEGIBCZ-QAPCUYQASA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630183 727348483 /nfs/dbraw/zinc/34/84/83/727348483.db2.gz KLNDHFGPJHOZAJ-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cnccc2Nc2ccccc2)CC1 ZINC000911741340 727591164 /nfs/dbraw/zinc/59/11/64/727591164.db2.gz NKEBIHWQUKRRFW-UHFFFAOYSA-N 2 0 334.423 2.531 20 30 EFEDRP COc1ccc(CCNC(NC[C@H]2CCC[N@@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509500 727719538 /nfs/dbraw/zinc/71/95/38/727719538.db2.gz IQKFMIHJLVSZCZ-QGZVFWFLSA-N 2 0 346.519 2.666 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493684 727770803 /nfs/dbraw/zinc/77/08/03/727770803.db2.gz FCIVEUSHRQDTFL-YLJYHZDGSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994503357 727772852 /nfs/dbraw/zinc/77/28/52/727772852.db2.gz VHXDRASYZLPVDV-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503541 727772885 /nfs/dbraw/zinc/77/28/85/727772885.db2.gz WDXWTPNCQIHFNE-HKUYNNGSSA-N 2 0 347.547 2.737 20 30 EFEDRP C[NH+](C)CC#CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000913517772 727864068 /nfs/dbraw/zinc/86/40/68/727864068.db2.gz OUYFGOZPQJMODG-UHFFFAOYSA-N 2 0 349.478 2.613 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364828 728119454 /nfs/dbraw/zinc/11/94/54/728119454.db2.gz JTBPLUMVHVRQPM-SJORKVTESA-N 2 0 341.927 2.925 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102491 728297874 /nfs/dbraw/zinc/29/78/74/728297874.db2.gz ZNVMWIKUAKEJEQ-HOCLYGCPSA-N 2 0 335.517 2.826 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000170903803 728493415 /nfs/dbraw/zinc/49/34/15/728493415.db2.gz ZPOIHNSPTSUOGO-MRXNPFEDSA-N 2 0 332.492 2.612 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000170909618 728494264 /nfs/dbraw/zinc/49/42/64/728494264.db2.gz OQXNMELUQXLKGF-DNVCBOLYSA-N 2 0 332.492 2.610 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000170913401 728495271 /nfs/dbraw/zinc/49/52/71/728495271.db2.gz OUZVAPAKBJXAAY-UHFFFAOYSA-N 2 0 332.492 2.754 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829349 728530653 /nfs/dbraw/zinc/53/06/53/728530653.db2.gz LAAQCRIIUKUKBM-RTBURBONSA-N 2 0 333.520 2.586 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069848 729466619 /nfs/dbraw/zinc/46/66/19/729466619.db2.gz LAZWPDRVPRSGJA-MJGOQNOKSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070496 729475611 /nfs/dbraw/zinc/47/56/11/729475611.db2.gz PXWUQGZCFHZZAR-PXNSSMCTSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001574852640 1088120901 /nfs/dbraw/zinc/12/09/01/1088120901.db2.gz XHGURLUKVUIUMU-MSOLQXFVSA-N 2 0 349.906 2.825 20 30 EFEDRP C=CC1(CC(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)C[NH2+]C1 ZINC001574882054 1088136613 /nfs/dbraw/zinc/13/66/13/1088136613.db2.gz YVKRAMYOVXZLFW-UHFFFAOYSA-N 2 0 340.427 2.528 20 30 EFEDRP C=CC[C@@]1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574897207 1088145051 /nfs/dbraw/zinc/14/50/51/1088145051.db2.gz IBAGXJNSQMXGLE-FQEVSTJZSA-N 2 0 327.472 2.960 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001574903978 1088147141 /nfs/dbraw/zinc/14/71/41/1088147141.db2.gz YVVBGQKPWFETQP-NZSAHSFTSA-N 2 0 329.488 2.697 20 30 EFEDRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC001575838704 1088723528 /nfs/dbraw/zinc/72/35/28/1088723528.db2.gz KCGISBPQCKEVQE-GOSISDBHSA-N 2 0 325.460 2.927 20 30 EFEDRP N#CC(CC[NH+]1CCC(O)(C[NH3+])CC1)(c1ccccc1)c1ccccc1 ZINC001580036576 1090749926 /nfs/dbraw/zinc/74/99/26/1090749926.db2.gz ZILONHZUGGABMQ-UHFFFAOYSA-N 2 0 349.478 2.672 20 30 EFEDRP N#CC1(CCC[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)CCOCC1 ZINC001580038869 1090751148 /nfs/dbraw/zinc/75/11/48/1090751148.db2.gz VKZRMPJOFWCMNH-GOSISDBHSA-N 2 0 331.504 2.941 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C12CCC2 ZINC001203204901 1092694090 /nfs/dbraw/zinc/69/40/90/1092694090.db2.gz WKIDIBCBCFADCB-SJORKVTESA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448191 1092753818 /nfs/dbraw/zinc/75/38/18/1092753818.db2.gz QESYUXWPXBAYKM-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449682 1092864216 /nfs/dbraw/zinc/86/42/16/1092864216.db2.gz PAVRAVLNSIVNLV-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421105 1092942062 /nfs/dbraw/zinc/94/20/62/1092942062.db2.gz BXBFRGIRYXUBSO-HZPDHXFCSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421350 1092947093 /nfs/dbraw/zinc/94/70/93/1092947093.db2.gz OLONGSTZXGRIMN-HZPDHXFCSA-N 2 0 326.444 2.598 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458762 1093233175 /nfs/dbraw/zinc/23/31/75/1093233175.db2.gz PEZVJEXEEKZXSJ-QUCCMNQESA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001104450969 1093290452 /nfs/dbraw/zinc/29/04/52/1093290452.db2.gz OIRKRXNCFMSNNC-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cn3ccnc3)CC2)CC1 ZINC001075461726 1093331457 /nfs/dbraw/zinc/33/14/57/1093331457.db2.gz PUGGRWOGARVNKX-GOSISDBHSA-N 2 0 344.503 2.800 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461864 1093333214 /nfs/dbraw/zinc/33/32/14/1093333214.db2.gz VCLDHXXGTDHDPL-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518424 1094586091 /nfs/dbraw/zinc/58/60/91/1094586091.db2.gz IITFRYNUHDZCPL-PXNSSMCTSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518524 1094587379 /nfs/dbraw/zinc/58/73/79/1094587379.db2.gz NLRNGVJJBHPUGV-WFXMLNOXSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020352 1094673586 /nfs/dbraw/zinc/67/35/86/1094673586.db2.gz AAQLZAZAMAXPAT-ICSRJNTNSA-N 2 0 333.520 2.799 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C(C)(C)[C@H]21 ZINC001087295895 1095044635 /nfs/dbraw/zinc/04/46/35/1095044635.db2.gz PYMQDWHEGWTBJW-SQNIBIBYSA-N 2 0 338.455 2.739 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087302527 1095148420 /nfs/dbraw/zinc/14/84/20/1095148420.db2.gz VIEFXUQVUPWKLA-KURKYZTESA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087302528 1095148799 /nfs/dbraw/zinc/14/87/99/1095148799.db2.gz VIEFXUQVUPWKLA-KZNAEPCWSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306277 1095190964 /nfs/dbraw/zinc/19/09/64/1095190964.db2.gz GWVXAZAXRYUFLZ-NEWSRXKRSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCOCc1nn(C)c2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167826068 1095215775 /nfs/dbraw/zinc/21/57/75/1095215775.db2.gz VWZZFOLSNAQMBL-KRWDZBQOSA-N 2 0 348.535 2.991 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309097 1095234978 /nfs/dbraw/zinc/23/49/78/1095234978.db2.gz ANFQOAOXHCIGKX-HOJAQTOUSA-N 2 0 347.547 2.900 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167694058 1095622416 /nfs/dbraw/zinc/62/24/16/1095622416.db2.gz BKKWVWFUKLVPJU-SFHVURJKSA-N 2 0 333.520 2.540 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752603 1095649075 /nfs/dbraw/zinc/64/90/75/1095649075.db2.gz IHGKVPJCYPFSCM-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752621 1095650024 /nfs/dbraw/zinc/65/00/24/1095650024.db2.gz IXIDFWZCTBNQGL-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981963781 1095848256 /nfs/dbraw/zinc/84/82/56/1095848256.db2.gz MYDWVUCNWGTBAY-UHFFFAOYSA-N 2 0 343.515 2.905 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709616 1096219505 /nfs/dbraw/zinc/21/95/05/1096219505.db2.gz RYFLSWXRONJYDU-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443352 1096633090 /nfs/dbraw/zinc/63/30/90/1096633090.db2.gz IHNGYDFWFXBFNW-WOJBJXKFSA-N 2 0 341.499 2.633 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001481940456 1096970909 /nfs/dbraw/zinc/97/09/09/1096970909.db2.gz IAGNHUALAJAWQD-KRWDZBQOSA-N 2 0 329.916 2.591 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001104802643 1098626687 /nfs/dbraw/zinc/62/66/87/1098626687.db2.gz IAUYTLXWWFWYNN-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104860341 1098796056 /nfs/dbraw/zinc/79/60/56/1098796056.db2.gz CWBBDNSAGLBKQT-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104914141 1099006657 /nfs/dbraw/zinc/00/66/57/1099006657.db2.gz XHMVTWMKKQINPP-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268783 1099011722 /nfs/dbraw/zinc/01/17/22/1099011722.db2.gz VSCWUKQWFWAJER-HLIPFELVSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523320 1099123104 /nfs/dbraw/zinc/12/31/04/1099123104.db2.gz NADMUVZHIRDDAV-ICSRJNTNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211660141 1099166082 /nfs/dbraw/zinc/16/60/82/1099166082.db2.gz WXEDTVWKJQQWPU-ZWKOTPCHSA-N 2 0 349.906 2.665 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105024830 1099405575 /nfs/dbraw/zinc/40/55/75/1099405575.db2.gz HWGKXXVWJUEQNE-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067307 1099541329 /nfs/dbraw/zinc/54/13/29/1099541329.db2.gz WFESNKXXVJMOMI-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067308 1099541590 /nfs/dbraw/zinc/54/15/90/1099541590.db2.gz WFESNKXXVJMOMI-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105066957 1099547362 /nfs/dbraw/zinc/54/73/62/1099547362.db2.gz HKQXXJAUNYVBDF-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105067076 1099547682 /nfs/dbraw/zinc/54/76/82/1099547682.db2.gz LTMVWXWONPWDGQ-VAMGGRTRSA-N 2 0 347.547 2.594 20 30 EFEDRP CN(C)/C=[NH+]/c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1C#N ZINC001167986686 1099560417 /nfs/dbraw/zinc/56/04/17/1099560417.db2.gz DDSJMDSWMPOVHW-YDZHTSKRSA-N 2 0 347.422 2.930 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105393874 1100336690 /nfs/dbraw/zinc/33/66/90/1100336690.db2.gz KBGSIUANDBKRDX-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001105394453 1100417439 /nfs/dbraw/zinc/41/74/39/1100417439.db2.gz XEAWXURFDDNLFJ-GOSISDBHSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105395698 1100557424 /nfs/dbraw/zinc/55/74/24/1100557424.db2.gz DGUTYYZSCGQHPA-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602590 1100580143 /nfs/dbraw/zinc/58/01/43/1100580143.db2.gz VSHFSVNHMGDDTA-IXDOHACOSA-N 2 0 341.927 2.971 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621322 1100603789 /nfs/dbraw/zinc/60/37/89/1100603789.db2.gz QEGBWXPUAHTFFE-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762745 1100739268 /nfs/dbraw/zinc/73/92/68/1100739268.db2.gz LJFFUEVNAXDDNV-RBUKOAKNSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966485 1101094987 /nfs/dbraw/zinc/09/49/87/1101094987.db2.gz FNNBPKQVHHXXCN-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088019803 1101205800 /nfs/dbraw/zinc/20/58/00/1101205800.db2.gz HCYFRUYOPFSNTB-SJORKVTESA-N 2 0 338.455 2.613 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208603553 1101398706 /nfs/dbraw/zinc/39/87/06/1101398706.db2.gz DJDJHRWBAWOSKC-SFHVURJKSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142041 1101664267 /nfs/dbraw/zinc/66/42/67/1101664267.db2.gz PKUIDLDJNOXKBI-UXHICEINSA-N 2 0 341.499 2.718 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001655431574 1101825423 /nfs/dbraw/zinc/82/54/23/1101825423.db2.gz RMUQVVJXRKHGDF-PMACEKPBSA-N 2 0 332.407 2.819 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]2C1 ZINC001088217643 1101906671 /nfs/dbraw/zinc/90/66/71/1101906671.db2.gz QLMWLNZMXZTVAA-SJORKVTESA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345462 1101965322 /nfs/dbraw/zinc/96/53/22/1101965322.db2.gz IEBPSNGQSLDGNS-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001167232905 1102100812 /nfs/dbraw/zinc/10/08/12/1102100812.db2.gz UFFHYLSYQFTBMH-UHFFFAOYSA-N 2 0 343.515 2.857 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001167242833 1102130741 /nfs/dbraw/zinc/13/07/41/1102130741.db2.gz HLFXHUGRTYWHHS-UHFFFAOYSA-N 2 0 343.515 2.613 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256485 1102362753 /nfs/dbraw/zinc/36/27/53/1102362753.db2.gz BUKBXNRTLCNOAJ-KURKYZTESA-N 2 0 341.515 2.707 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264738 1102393936 /nfs/dbraw/zinc/39/39/36/1102393936.db2.gz CBVDNVRCWUBMJD-DJIMGWMZSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001112506864 1102442186 /nfs/dbraw/zinc/44/21/86/1102442186.db2.gz IYYHAXCKDYKGBL-PXNSSMCTSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388158 1102783494 /nfs/dbraw/zinc/78/34/94/1102783494.db2.gz JBSQQKFFKGFBNV-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291713 1102853378 /nfs/dbraw/zinc/85/33/78/1102853378.db2.gz RWNQCFFNNUEGEC-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291320 1102854543 /nfs/dbraw/zinc/85/45/43/1102854543.db2.gz MCYTUIDMEWQFSH-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001088314780 1102866532 /nfs/dbraw/zinc/86/65/32/1102866532.db2.gz GSCBPLZRLLZOBS-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001088317339 1102883092 /nfs/dbraw/zinc/88/30/92/1102883092.db2.gz ZARLQLIPYKBOQX-IXDOHACOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088326484 1102929588 /nfs/dbraw/zinc/92/95/88/1102929588.db2.gz QCRVLZHDWXGKEK-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001088338278 1103014707 /nfs/dbraw/zinc/01/47/07/1103014707.db2.gz AHJOLLVOQJKXKM-QGZVFWFLSA-N 2 0 333.520 2.633 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341502 1103025257 /nfs/dbraw/zinc/02/52/57/1103025257.db2.gz JHNUQDVVZZHFOK-MRXNPFEDSA-N 2 0 339.911 2.728 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001088347475 1103070792 /nfs/dbraw/zinc/07/07/92/1103070792.db2.gz RIIVTYFVVDRJHR-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001088381116 1103320081 /nfs/dbraw/zinc/32/00/81/1103320081.db2.gz XDOYMAVPXVNZQB-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381260 1103336625 /nfs/dbraw/zinc/33/66/25/1103336625.db2.gz AOJIWBINZJAHSW-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991066670 1103454133 /nfs/dbraw/zinc/45/41/33/1103454133.db2.gz JQTRDJWOZINXBY-CMKODMSKSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105436808 1104046366 /nfs/dbraw/zinc/04/63/66/1104046366.db2.gz JFSSGSWTRBDNKD-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001101591016 1104490783 /nfs/dbraw/zinc/49/07/83/1104490783.db2.gz ANMNYCIDJBRJSK-UHFFFAOYSA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC000988844055 1105325088 /nfs/dbraw/zinc/32/50/88/1105325088.db2.gz MECVICBPWHSUQI-SWLSCSKDSA-N 2 0 332.835 2.588 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536925 1105905534 /nfs/dbraw/zinc/90/55/34/1105905534.db2.gz KUFAEEUSUZBTRM-RBUKOAKNSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544636 1105922437 /nfs/dbraw/zinc/92/24/37/1105922437.db2.gz OYKCUYOOGRQIQY-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105560837 1105938007 /nfs/dbraw/zinc/93/80/07/1105938007.db2.gz DDXAVMFRXVBROS-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001105560838 1105938900 /nfs/dbraw/zinc/93/89/00/1105938900.db2.gz DDXAVMFRXVBROS-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105560876 1105938943 /nfs/dbraw/zinc/93/89/43/1105938943.db2.gz FBCQGSBESFYYSE-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)CCC1 ZINC001105570423 1105950687 /nfs/dbraw/zinc/95/06/87/1105950687.db2.gz PJVXJZKDONBLQR-INIZCTEOSA-N 2 0 330.476 2.669 20 30 EFEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574602 1105961027 /nfs/dbraw/zinc/96/10/27/1105961027.db2.gz BVLCNJAZYJTVSV-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105575067 1105961720 /nfs/dbraw/zinc/96/17/20/1105961720.db2.gz QHWXGZYALGSRTI-GOSISDBHSA-N 2 0 345.531 2.799 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577509 1105966183 /nfs/dbraw/zinc/96/61/83/1105966183.db2.gz WGGOTBIGDLCEES-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241309 1106487844 /nfs/dbraw/zinc/48/78/44/1106487844.db2.gz NEEBJIKMLARJPA-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040243813 1106723173 /nfs/dbraw/zinc/72/31/73/1106723173.db2.gz BVMIRSLUWWUJGG-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168326716 1106870877 /nfs/dbraw/zinc/87/08/77/1106870877.db2.gz DXHBEJQQWBRQJJ-UHFFFAOYSA-N 2 0 329.488 2.814 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991015092 1106876199 /nfs/dbraw/zinc/87/61/99/1106876199.db2.gz BSQDDHIQLPAHTN-WSTZPKSXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335701 1107179799 /nfs/dbraw/zinc/17/97/99/1107179799.db2.gz QUABWYFQFSQPHK-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089059088 1107378941 /nfs/dbraw/zinc/37/89/41/1107378941.db2.gz YYPNKIRXVNAUNU-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C[C@]1(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CCC[NH2+]C1 ZINC000904375479 1107887374 /nfs/dbraw/zinc/88/73/74/1107887374.db2.gz ATOJMVZPXPUKMH-FQEVSTJZSA-N 2 0 326.488 2.502 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106134476 1108561123 /nfs/dbraw/zinc/56/11/23/1108561123.db2.gz XGPWWPMFRGPAEQ-FGTMMUONSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036650 1108607982 /nfs/dbraw/zinc/60/79/82/1108607982.db2.gz XJFAWHYQNVXQKP-CTWPCTMYSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040282700 1108696163 /nfs/dbraw/zinc/69/61/63/1108696163.db2.gz YMEAEFMSCWTOSF-LJQANCHMSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248396 1111216496 /nfs/dbraw/zinc/21/64/96/1111216496.db2.gz OCFMGWMVSXCPRV-GUDVDZBRSA-N 2 0 335.536 2.615 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249803 1111218760 /nfs/dbraw/zinc/21/87/60/1111218760.db2.gz QNSGQTXTPUFFFR-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309197 1111396288 /nfs/dbraw/zinc/39/62/88/1111396288.db2.gz PCVDHIIYDMPFQS-GUDVDZBRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106353952 1111448817 /nfs/dbraw/zinc/44/88/17/1111448817.db2.gz INTYZOZLXAUWEL-NVXWUHKLSA-N 2 0 340.471 2.907 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106358146 1111455288 /nfs/dbraw/zinc/45/52/88/1111455288.db2.gz WDEUTBXEDAYXEM-DJIMGWMZSA-N 2 0 341.927 2.543 20 30 EFEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229251 1111563722 /nfs/dbraw/zinc/56/37/22/1111563722.db2.gz ICMLIISLKLXSAO-QZTJIDSGSA-N 2 0 335.536 2.737 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106471881 1111564436 /nfs/dbraw/zinc/56/44/36/1111564436.db2.gz KTQZRJHYXIBEDK-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588330 1111657801 /nfs/dbraw/zinc/65/78/01/1111657801.db2.gz PJFOJXBLFSSVPF-SOLBZPMBSA-N 2 0 347.503 2.994 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621638 1111678529 /nfs/dbraw/zinc/67/85/29/1111678529.db2.gz WPZAJANNRJTPQT-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666813 1111709214 /nfs/dbraw/zinc/70/92/14/1111709214.db2.gz WNBTXAHBLVFHMC-GUDVDZBRSA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106825306 1111884574 /nfs/dbraw/zinc/88/45/74/1111884574.db2.gz LCAFXCZHSPSKED-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398723 1112067312 /nfs/dbraw/zinc/06/73/12/1112067312.db2.gz LWCGUBWIRHZONA-MRXNPFEDSA-N 2 0 347.528 2.663 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406191 1112077116 /nfs/dbraw/zinc/07/71/16/1112077116.db2.gz IJNQEOKOORLXAM-RBUKOAKNSA-N 2 0 347.547 2.879 20 30 EFEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406589 1112077972 /nfs/dbraw/zinc/07/79/72/1112077972.db2.gz NXXBBWAYTFXTTP-HKUYNNGSSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427151 1112116672 /nfs/dbraw/zinc/11/66/72/1112116672.db2.gz OLQOHMVZCOXYJD-OALUTQOASA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430376 1112122027 /nfs/dbraw/zinc/12/20/27/1112122027.db2.gz MCCOJHIBDRGION-QGZVFWFLSA-N 2 0 338.455 2.578 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430459 1112122063 /nfs/dbraw/zinc/12/20/63/1112122063.db2.gz NCZVFHYDOSNCBX-INIZCTEOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089488828 1112221477 /nfs/dbraw/zinc/22/14/77/1112221477.db2.gz YMVXYJIEPAWLTH-KRWDZBQOSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511351 1112255952 /nfs/dbraw/zinc/25/59/52/1112255952.db2.gz RJROUOONIJKPPE-MOPGFXCFSA-N 2 0 347.547 2.879 20 30 EFEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089520189 1112266547 /nfs/dbraw/zinc/26/65/47/1112266547.db2.gz SGEUKRPZSLMHLL-IBGZPJMESA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538292 1112283258 /nfs/dbraw/zinc/28/32/58/1112283258.db2.gz ALBFSAQMRMRRSL-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549282 1112295399 /nfs/dbraw/zinc/29/53/99/1112295399.db2.gz VZBAAINJFYEIRI-AWEZNQCLSA-N 2 0 338.883 2.620 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089654377 1112530018 /nfs/dbraw/zinc/53/00/18/1112530018.db2.gz XYQANQKPDOQOLU-OALUTQOASA-N 2 0 345.531 2.657 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663158 1112605044 /nfs/dbraw/zinc/60/50/44/1112605044.db2.gz HWYHHHFJWHLLIZ-OALUTQOASA-N 2 0 347.547 2.737 20 30 EFEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719300 1112939354 /nfs/dbraw/zinc/93/93/54/1112939354.db2.gz AUXPVOWDYRAETQ-LJQANCHMSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099497839 1118621344 /nfs/dbraw/zinc/62/13/44/1118621344.db2.gz QRYASBHUIMOQKA-RDGPPVDQSA-N 2 0 347.547 2.852 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364822 1118729765 /nfs/dbraw/zinc/72/97/65/1118729765.db2.gz JTBPLUMVHVRQPM-IAGOWNOFSA-N 2 0 341.927 2.925 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942528987 1118929756 /nfs/dbraw/zinc/92/97/56/1118929756.db2.gz CWIYMIIFQVOKLN-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474536 1119047938 /nfs/dbraw/zinc/04/79/38/1119047938.db2.gz VTABRQIEPSWGKB-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942722892 1119086594 /nfs/dbraw/zinc/08/65/94/1119086594.db2.gz PQNGBDQAYXSGFI-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047092 1119893986 /nfs/dbraw/zinc/89/39/86/1119893986.db2.gz NTCOTYWIPJGIAI-YLJYHZDGSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001107066889 1120242978 /nfs/dbraw/zinc/24/29/78/1120242978.db2.gz NYIGKWAQNWWDLT-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029127 1120520731 /nfs/dbraw/zinc/52/07/31/1120520731.db2.gz QQMDVHAQGOUGQA-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C[N@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181709293 529917133 /nfs/dbraw/zinc/91/71/33/529917133.db2.gz ZFZWCBFJURVTCZ-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCS[C@H](CC)C1 ZINC000262047817 535262646 /nfs/dbraw/zinc/26/26/46/535262646.db2.gz ZFKKWWHNKBKCKB-DLBZAZTESA-N 2 0 340.581 2.900 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000264421242 201211243 /nfs/dbraw/zinc/21/12/43/201211243.db2.gz WTLZMUPVCAUSHS-IBGZPJMESA-N 2 0 329.488 2.836 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000264943612 201214441 /nfs/dbraw/zinc/21/44/41/201214441.db2.gz HIUXLVCDZNPJLT-UHFFFAOYSA-N 2 0 343.515 2.596 20 30 EFEDRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1ccccc1OC(F)(F)F ZINC000160627173 239054287 /nfs/dbraw/zinc/05/42/87/239054287.db2.gz JELXFHVKOKXIHJ-UHFFFAOYSA-N 2 0 330.354 2.798 20 30 EFEDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CC[NH+](C)CC1 ZINC000194261993 240147834 /nfs/dbraw/zinc/14/78/34/240147834.db2.gz ACYHLARIENXOOR-PXNSSMCTSA-N 2 0 344.503 2.512 20 30 EFEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195291376 240215577 /nfs/dbraw/zinc/21/55/77/240215577.db2.gz RGUPCIDYCMOTIB-QGZVFWFLSA-N 2 0 338.455 2.944 20 30 EFEDRP C[NH+]=C(NCC1([NH+]2CCCCC2)CCCCC1)N(C)Cc1ccon1 ZINC000261738227 240320891 /nfs/dbraw/zinc/32/08/91/240320891.db2.gz KIWPKTGAADCCNC-UHFFFAOYSA-N 2 0 347.507 2.871 20 30 EFEDRP CC[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261863270 240330396 /nfs/dbraw/zinc/33/03/96/240330396.db2.gz ZPCAMCWVAPMDMJ-BXUZGUMPSA-N 2 0 340.924 2.939 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000262814216 240370715 /nfs/dbraw/zinc/37/07/15/240370715.db2.gz VCRAYVMCYMHDDK-UHFFFAOYSA-N 2 0 336.867 2.950 20 30 EFEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264065682 240397529 /nfs/dbraw/zinc/39/75/29/240397529.db2.gz BCPDGAMSXZYHTH-NSHDSACASA-N 2 0 330.354 2.654 20 30 EFEDRP COc1ccc(CCNC(=[NH2+])NCCCCCCC[NH+](C)C)cc1 ZINC000264086302 240402680 /nfs/dbraw/zinc/40/26/80/240402680.db2.gz JLSKDVXZCNCOBN-UHFFFAOYSA-N 2 0 334.508 2.654 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354543652 242004492 /nfs/dbraw/zinc/00/44/92/242004492.db2.gz XWKFINNMQGCBGD-MISYRCLQSA-N 2 0 346.515 2.959 20 30 EFEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074131 242088403 /nfs/dbraw/zinc/08/84/03/242088403.db2.gz FWLLHHAIPODBMQ-KRWDZBQOSA-N 2 0 348.535 2.581 20 30 EFEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000361459950 242223234 /nfs/dbraw/zinc/22/32/34/242223234.db2.gz OOMPRLFGNVHSGA-HKUYNNGSSA-N 2 0 345.487 2.816 20 30 EFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072823579 203246472 /nfs/dbraw/zinc/24/64/72/203246472.db2.gz BERMQAYYADNILH-QGZVFWFLSA-N 2 0 328.460 2.551 20 30 EFEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157257550 206124452 /nfs/dbraw/zinc/12/44/52/206124452.db2.gz HRSYEOKOTXGYSR-APWZRJJASA-N 2 0 340.471 2.836 20 30 EFEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157257393 206125325 /nfs/dbraw/zinc/12/53/25/206125325.db2.gz HRSYEOKOTXGYSR-LPHOPBHVSA-N 2 0 340.471 2.836 20 30 EFEDRP C=CCN(Cc1ccccc1F)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433158275 248022679 /nfs/dbraw/zinc/02/26/79/248022679.db2.gz AGASDPUBBPYHLZ-UHFFFAOYSA-N 2 0 333.451 2.544 20 30 EFEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442778106 250115728 /nfs/dbraw/zinc/11/57/28/250115728.db2.gz JYFDFRLGGBUBFA-MOPGFXCFSA-N 2 0 326.488 2.871 20 30 EFEDRP C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000442796900 250119972 /nfs/dbraw/zinc/11/99/72/250119972.db2.gz WKEKSEZTXOHBBU-UXLLHSPISA-N 2 0 330.451 2.920 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063512 250155141 /nfs/dbraw/zinc/15/51/41/250155141.db2.gz WSNNATQTDAZIGE-JKSUJKDBSA-N 2 0 335.517 2.712 20 30 EFEDRP C#CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000294079271 533185292 /nfs/dbraw/zinc/18/52/92/533185292.db2.gz QWYAIVTUWWYUOR-YOFSQIOKSA-N 2 0 342.483 2.772 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349082760 285251047 /nfs/dbraw/zinc/25/10/47/285251047.db2.gz XNYSTUSCMXYUJH-GOSISDBHSA-N 2 0 332.467 2.545 20 30 EFEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868594 221199162 /nfs/dbraw/zinc/19/91/62/221199162.db2.gz NWHNUNNRZKUGNW-HNNXBMFYSA-N 2 0 328.460 2.549 20 30 EFEDRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144072 145378338 /nfs/dbraw/zinc/37/83/38/145378338.db2.gz SSCKHZLESGCNEP-UTKZUKDTSA-N 2 0 335.451 2.846 20 30 EFEDRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000353671580 146536571 /nfs/dbraw/zinc/53/65/71/146536571.db2.gz KSXSCWASXUYQQJ-UHFFFAOYSA-N 2 0 337.471 2.921 20 30 EFEDRP C[N@@H+]1CCCC[C@@H]1CCN1CCCN(c2ccccc2C#N)CC1 ZINC000374536181 151364204 /nfs/dbraw/zinc/36/42/04/151364204.db2.gz VYPRGIYWAWJYQU-LJQANCHMSA-N 2 0 326.488 2.945 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142472 287355784 /nfs/dbraw/zinc/35/57/84/287355784.db2.gz YHJQCOMXABQZTJ-APWZRJJASA-N 2 0 342.487 2.556 20 30 EFEDRP C#CCOc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000113323733 544568866 /nfs/dbraw/zinc/56/88/66/544568866.db2.gz WQLKRJGVHAAAGZ-UHFFFAOYSA-N 2 0 338.451 2.929 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423462857 270028051 /nfs/dbraw/zinc/02/80/51/270028051.db2.gz FFFOBHJYFKZGCD-RBUKOAKNSA-N 2 0 326.488 2.630 20 30 EFEDRP COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000271791864 266061799 /nfs/dbraw/zinc/06/17/99/266061799.db2.gz JFTDLRHZZDVCNN-OAHLLOKOSA-N 2 0 329.444 2.626 20 30 EFEDRP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000271547711 268165049 /nfs/dbraw/zinc/16/50/49/268165049.db2.gz RTZQHOAOWDMVSZ-IAFLDTSXSA-N 2 0 340.471 2.860 20 30 EFEDRP CC1CC[NH+](CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000304486060 275938558 /nfs/dbraw/zinc/93/85/58/275938558.db2.gz LLAPFWOVCVMMBN-QGZVFWFLSA-N 2 0 330.476 2.537 20 30 EFEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360834952 276197018 /nfs/dbraw/zinc/19/70/18/276197018.db2.gz JORDKGAYEPLVPH-UWJYYQICSA-N 2 0 340.515 2.941 20 30 EFEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840790 279313709 /nfs/dbraw/zinc/31/37/09/279313709.db2.gz OYUTWHKZDNECEE-UZLBHIALSA-N 2 0 326.488 2.551 20 30 EFEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550156581 318188988 /nfs/dbraw/zinc/18/89/88/318188988.db2.gz CDGVAGXGONOXEP-UHFFFAOYSA-N 2 0 348.454 2.733 20 30 EFEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000567163431 319144208 /nfs/dbraw/zinc/14/42/08/319144208.db2.gz ICNDBIBPMKMPIL-OAQYLSRUSA-N 2 0 340.515 2.943 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083030187 473314954 /nfs/dbraw/zinc/31/49/54/473314954.db2.gz PAWDYSLQYABYNV-NVXWUHKLSA-N 2 0 330.476 2.679 20 30 EFEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113340165 473385796 /nfs/dbraw/zinc/38/57/96/473385796.db2.gz FDRFDMWAZNATOO-QGZVFWFLSA-N 2 0 337.471 2.895 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843965 472484184 /nfs/dbraw/zinc/48/41/84/472484184.db2.gz BLBYUHIBWBPFSK-QGZVFWFLSA-N 2 0 329.488 2.521 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000104181831 472659792 /nfs/dbraw/zinc/65/97/92/472659792.db2.gz ZQPMGZHPAXUHKA-INIZCTEOSA-N 2 0 332.492 2.502 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000104178962 472659910 /nfs/dbraw/zinc/65/99/10/472659910.db2.gz UIPUHJRTLQZMPT-CQSZACIVSA-N 2 0 348.491 2.941 20 30 EFEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104172504 472659995 /nfs/dbraw/zinc/65/99/95/472659995.db2.gz HGEQRNMDYWRWLJ-LLVKDONJSA-N 2 0 342.365 2.796 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000104192963 472661048 /nfs/dbraw/zinc/66/10/48/472661048.db2.gz BFHSNCAXUZFUNP-JTQLQIEISA-N 2 0 330.354 2.795 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132894601 472761050 /nfs/dbraw/zinc/76/10/50/472761050.db2.gz OBHDHDKFPHUISM-QZTJIDSGSA-N 2 0 342.483 2.850 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000132894436 472761468 /nfs/dbraw/zinc/76/14/68/472761468.db2.gz OBHDHDKFPHUISM-ZWKOTPCHSA-N 2 0 342.483 2.850 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132893999 472761547 /nfs/dbraw/zinc/76/15/47/472761547.db2.gz OBHDHDKFPHUISM-ROUUACIJSA-N 2 0 342.483 2.850 20 30 EFEDRP C[NH+]1CCN(C[C@@H]([NH2+]CC(C)(C)CCC#N)c2ccccc2)CC1 ZINC000092175320 472869333 /nfs/dbraw/zinc/86/93/33/472869333.db2.gz LCHJAYKJPJGOBP-LJQANCHMSA-N 2 0 328.504 2.895 20 30 EFEDRP C[NH+](C)CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000121657010 472886340 /nfs/dbraw/zinc/88/63/40/472886340.db2.gz SNFPTHZJYSZPIQ-UHFFFAOYSA-N 2 0 348.878 2.814 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000158103438 472892938 /nfs/dbraw/zinc/89/29/38/472892938.db2.gz LSTQQAFQMDDOPF-HDICACEKSA-N 2 0 344.474 2.998 20 30 EFEDRP C=C(C)COCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134506687 472919779 /nfs/dbraw/zinc/91/97/79/472919779.db2.gz HXYPUBNUNFYPTL-UHFFFAOYSA-N 2 0 331.504 2.899 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000159102586 472999613 /nfs/dbraw/zinc/99/96/13/472999613.db2.gz JSRLNHLPTWSHKP-KRWDZBQOSA-N 2 0 330.472 2.850 20 30 EFEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123108388 473098522 /nfs/dbraw/zinc/09/85/22/473098522.db2.gz YQORGYVOCNLICM-QGZVFWFLSA-N 2 0 348.535 2.771 20 30 EFEDRP C#CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735090 473136067 /nfs/dbraw/zinc/13/60/67/473136067.db2.gz OBPISJUGWBSJIG-UHFFFAOYSA-N 2 0 342.483 2.775 20 30 EFEDRP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C1(C#N)CCCCC1 ZINC000123466404 473145258 /nfs/dbraw/zinc/14/52/58/473145258.db2.gz OAFVCYPOGRGLQY-UHFFFAOYSA-N 2 0 348.535 2.725 20 30 EFEDRP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697078 473490721 /nfs/dbraw/zinc/49/07/21/473490721.db2.gz PHYRUFBBZAGJCJ-QSFXBCCZSA-N 2 0 327.472 2.834 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954889 473557644 /nfs/dbraw/zinc/55/76/44/473557644.db2.gz DLWKNWGDWDHRDG-GJZGRUSLSA-N 2 0 342.409 2.721 20 30 EFEDRP CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152488701 473568428 /nfs/dbraw/zinc/56/84/28/473568428.db2.gz VRIMQDWONDGKEK-OAHLLOKOSA-N 2 0 346.500 2.514 20 30 EFEDRP C=C(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000153040448 473605166 /nfs/dbraw/zinc/60/51/66/473605166.db2.gz WJGNCKWYSVBKJM-NQIIRXRSSA-N 3 0 342.531 2.922 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000186247673 473627544 /nfs/dbraw/zinc/62/75/44/473627544.db2.gz JCYSFSKYUJYKME-UHFFFAOYSA-N 2 0 327.472 2.944 20 30 EFEDRP N#Cc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246282989 473815564 /nfs/dbraw/zinc/81/55/64/473815564.db2.gz BBDBYLNSFPTGAI-PXNSSMCTSA-N 2 0 325.456 2.886 20 30 EFEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936322 473889832 /nfs/dbraw/zinc/88/98/32/473889832.db2.gz IMYBCXOYHSLMKJ-APWZRJJASA-N 2 0 338.455 2.596 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCCCC1 ZINC000264070163 473947513 /nfs/dbraw/zinc/94/75/13/473947513.db2.gz CYABTJSBISAEQQ-SFHVURJKSA-N 2 0 328.504 2.788 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000264115539 473950852 /nfs/dbraw/zinc/95/08/52/473950852.db2.gz SLGINBOPONFIRK-UHFFFAOYSA-N 2 0 345.535 2.566 20 30 EFEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264118393 473952823 /nfs/dbraw/zinc/95/28/23/473952823.db2.gz QJSONNBSZBZLLK-HNNXBMFYSA-N 2 0 336.480 2.797 20 30 EFEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000264248132 473957914 /nfs/dbraw/zinc/95/79/14/473957914.db2.gz GMITVEOZYLWHPN-UHFFFAOYSA-N 2 0 330.354 2.796 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180989357 473996131 /nfs/dbraw/zinc/99/61/31/473996131.db2.gz MXOLDHIMTFNBRM-NRFANRHFSA-N 2 0 335.451 2.805 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000174244448 474011924 /nfs/dbraw/zinc/01/19/24/474011924.db2.gz FJNDSTWFTHAAFP-UHFFFAOYSA-N 2 0 338.540 2.835 20 30 EFEDRP Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(C#N)o3)CC2)c1 ZINC000174257215 474014408 /nfs/dbraw/zinc/01/44/08/474014408.db2.gz BLFSYOYUVPYYJR-UHFFFAOYSA-N 2 0 338.455 2.762 20 30 EFEDRP CC[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000181476936 474038579 /nfs/dbraw/zinc/03/85/79/474038579.db2.gz YHNUMXFDWARPHU-OAQYLSRUSA-N 2 0 340.515 2.987 20 30 EFEDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181696891 474058504 /nfs/dbraw/zinc/05/85/04/474058504.db2.gz OGEAEHLMHIESKD-KRWDZBQOSA-N 2 0 344.503 2.513 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622834 474218750 /nfs/dbraw/zinc/21/87/50/474218750.db2.gz VAHXIDVIFXXFSR-DLBZAZTESA-N 2 0 348.535 2.589 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCC1 ZINC000275699615 474287884 /nfs/dbraw/zinc/28/78/84/474287884.db2.gz QJCIFWJRPNVCTG-UHFFFAOYSA-N 2 0 328.382 2.594 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249466560 474576987 /nfs/dbraw/zinc/57/69/87/474576987.db2.gz SNTXSLBAIVYNHA-FXAWDEMLSA-N 2 0 345.487 2.664 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000271870238 474596798 /nfs/dbraw/zinc/59/67/98/474596798.db2.gz MLAQIXOWQWEXPX-RYGJVYDSSA-N 2 0 343.471 2.617 20 30 EFEDRP C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000271864100 474597174 /nfs/dbraw/zinc/59/71/74/474597174.db2.gz USLDNLGAVVYKDA-IIBYNOLFSA-N 2 0 335.451 2.628 20 30 EFEDRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OCCCC#N ZINC000271922537 474597883 /nfs/dbraw/zinc/59/78/83/474597883.db2.gz UTQHQNNZYLKSQM-UHFFFAOYSA-N 2 0 329.444 2.729 20 30 EFEDRP CN(C)C(=[NH+]CCCOC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000267266117 474632567 /nfs/dbraw/zinc/63/25/67/474632567.db2.gz DIFOFZDXMAROQH-UHFFFAOYSA-N 2 0 346.519 2.537 20 30 EFEDRP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C[NH+](C)C ZINC000291707684 474654773 /nfs/dbraw/zinc/65/47/73/474654773.db2.gz LAJPDZFRHSSJRH-INIZCTEOSA-N 2 0 325.460 2.751 20 30 EFEDRP CCc1cccc(NC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000267463548 474671596 /nfs/dbraw/zinc/67/15/96/474671596.db2.gz VTVMZIJVLMOODG-UHFFFAOYSA-N 2 0 330.476 2.621 20 30 EFEDRP C=CCN1CC[C@@H]([NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1=O ZINC000337156221 474744345 /nfs/dbraw/zinc/74/43/45/474744345.db2.gz ADHTWYNXZMUGPL-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000337221326 474795452 /nfs/dbraw/zinc/79/54/52/474795452.db2.gz LFKNSIBIGOMTMA-UHFFFAOYSA-N 2 0 348.878 2.958 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293606075 475043601 /nfs/dbraw/zinc/04/36/01/475043601.db2.gz JOAZZOPCVGCOPY-HXUWFJFHSA-N 2 0 326.488 2.954 20 30 EFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281893 475058643 /nfs/dbraw/zinc/05/86/43/475058643.db2.gz VUNVYGVMSDWOCY-QUCCMNQESA-N 2 0 326.488 2.989 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000345301996 475074906 /nfs/dbraw/zinc/07/49/06/475074906.db2.gz CJGGPXDJTSECEN-UHFFFAOYSA-N 2 0 336.439 2.627 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326919 475233175 /nfs/dbraw/zinc/23/31/75/475233175.db2.gz XKYWBRMJUFHXLM-WDYCEAGBSA-N 2 0 344.478 2.986 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342110328 475557533 /nfs/dbraw/zinc/55/75/33/475557533.db2.gz SAPHURYFINHFJX-CWLKWCNXSA-N 2 0 347.528 2.710 20 30 EFEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000352835342 475650893 /nfs/dbraw/zinc/65/08/93/475650893.db2.gz XVHJLIIAAWJHDJ-HXUWFJFHSA-N 2 0 341.499 2.939 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)CC[NH+]2CCCCC2)CC1 ZINC000352912335 475665522 /nfs/dbraw/zinc/66/55/22/475665522.db2.gz NDELYRIQGRVONA-UHFFFAOYSA-N 2 0 336.524 2.544 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000353241191 475797693 /nfs/dbraw/zinc/79/76/93/475797693.db2.gz LHRIFGACKDMRII-NJDAHSKKSA-N 2 0 339.483 2.903 20 30 EFEDRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000353456092 475984732 /nfs/dbraw/zinc/98/47/32/475984732.db2.gz TVDKOPOXIUXKBZ-UHFFFAOYSA-N 2 0 326.488 2.991 20 30 EFEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000354032492 476379764 /nfs/dbraw/zinc/37/97/64/476379764.db2.gz AVERSLOJJKXHEH-UHFFFAOYSA-N 2 0 332.517 2.610 20 30 EFEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360834950 476417464 /nfs/dbraw/zinc/41/74/64/476417464.db2.gz JORDKGAYEPLVPH-LAUBAEHRSA-N 2 0 340.515 2.941 20 30 EFEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360834949 476417752 /nfs/dbraw/zinc/41/77/52/476417752.db2.gz JORDKGAYEPLVPH-DYESRHJHSA-N 2 0 340.515 2.941 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000377687707 476521615 /nfs/dbraw/zinc/52/16/15/476521615.db2.gz ASTXMTTXYOFRJK-UHFFFAOYSA-N 2 0 325.500 2.517 20 30 EFEDRP CC1(C)CCC[NH2+][C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423394294 477015452 /nfs/dbraw/zinc/01/54/52/477015452.db2.gz RYNJXXXRAGKAEK-FQEVSTJZSA-N 2 0 340.515 2.890 20 30 EFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578245 477074975 /nfs/dbraw/zinc/07/49/75/477074975.db2.gz UIAZDOGXTJOTHP-RTBURBONSA-N 2 0 326.488 2.652 20 30 EFEDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000432366123 477203385 /nfs/dbraw/zinc/20/33/85/477203385.db2.gz BSVPEMOLAYQVCV-SFHVURJKSA-N 2 0 345.487 2.960 20 30 EFEDRP C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000411421607 477229630 /nfs/dbraw/zinc/22/96/30/477229630.db2.gz BFCDDXCGIVGOBI-SFHVURJKSA-N 2 0 332.536 2.951 20 30 EFEDRP C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000411419622 477229881 /nfs/dbraw/zinc/22/98/81/477229881.db2.gz TXOMTHLJZSPHGP-OALUTQOASA-N 2 0 332.536 2.808 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424132549 477303316 /nfs/dbraw/zinc/30/33/16/477303316.db2.gz KWPJQZXEXQVTIW-QFBILLFUSA-N 2 0 342.487 2.698 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424132544 477303609 /nfs/dbraw/zinc/30/36/09/477303609.db2.gz KWPJQZXEXQVTIW-APWZRJJASA-N 2 0 342.487 2.698 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139355 477305449 /nfs/dbraw/zinc/30/54/49/477305449.db2.gz VDJBNPCBCDIDRQ-QFBILLFUSA-N 2 0 342.487 2.556 20 30 EFEDRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424143581 477306285 /nfs/dbraw/zinc/30/62/85/477306285.db2.gz ZUTAYFRHGYNLHX-LJQANCHMSA-N 2 0 342.487 2.556 20 30 EFEDRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424141234 477306961 /nfs/dbraw/zinc/30/69/61/477306961.db2.gz WYHLYAODIHKQQL-SFHVURJKSA-N 2 0 328.460 2.878 20 30 EFEDRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424143580 477307020 /nfs/dbraw/zinc/30/70/20/477307020.db2.gz ZUTAYFRHGYNLHX-IBGZPJMESA-N 2 0 342.487 2.556 20 30 EFEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160151 477313651 /nfs/dbraw/zinc/31/36/51/477313651.db2.gz TUUPYKDMLMGCTQ-QXAKKESOSA-N 2 0 342.487 2.692 20 30 EFEDRP C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1=O ZINC000411681404 477325404 /nfs/dbraw/zinc/32/54/04/477325404.db2.gz YYZSYOQJAFXNRS-HXUWFJFHSA-N 2 0 341.499 2.891 20 30 EFEDRP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)C1=O ZINC000411681401 477325770 /nfs/dbraw/zinc/32/57/70/477325770.db2.gz YYZSYOQJAFXNRS-FQEVSTJZSA-N 2 0 341.499 2.891 20 30 EFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000435743470 477361972 /nfs/dbraw/zinc/36/19/72/477361972.db2.gz ACTRAJNZECJEIJ-CTNGQTDRSA-N 2 0 343.515 2.899 20 30 EFEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000435743472 477364193 /nfs/dbraw/zinc/36/41/93/477364193.db2.gz ACTRAJNZECJEIJ-PZJWPPBQSA-N 2 0 343.515 2.899 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417539746 477455765 /nfs/dbraw/zinc/45/57/65/477455765.db2.gz ONAHZBXMPIGXIL-HKUYNNGSSA-N 2 0 348.535 2.591 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000441245939 478203077 /nfs/dbraw/zinc/20/30/77/478203077.db2.gz OCULWRLNOUTXOY-YQVWRLOYSA-N 2 0 348.535 2.609 20 30 EFEDRP C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489400970 478241590 /nfs/dbraw/zinc/24/15/90/478241590.db2.gz LAYZPOVQRJABNX-FQEVSTJZSA-N 2 0 341.499 2.939 20 30 EFEDRP CCC[N@H+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000521860406 478379451 /nfs/dbraw/zinc/37/94/51/478379451.db2.gz NSRPXZGYJCQAGV-UHFFFAOYSA-N 2 0 342.487 2.636 20 30 EFEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000525422765 478393877 /nfs/dbraw/zinc/39/38/77/478393877.db2.gz PXAQJKUJQKFDCB-UHFFFAOYSA-N 2 0 345.487 2.998 20 30 EFEDRP Cc1cc(N2CCCC[C@@H]2C)ccc1NC[C@H](O)CN(C)CCC#N ZINC000581603695 478398098 /nfs/dbraw/zinc/39/80/98/478398098.db2.gz NOBRJPGJOUYOID-HKUYNNGSSA-N 2 0 344.503 2.992 20 30 EFEDRP Cc1cc(N2CCCC[C@@H]2C)ccc1NC[C@@H](O)CN(C)CCC#N ZINC000581603698 478398528 /nfs/dbraw/zinc/39/85/28/478398528.db2.gz NOBRJPGJOUYOID-PKOBYXMFSA-N 2 0 344.503 2.992 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])C2)c(F)c1 ZINC000582175605 478529996 /nfs/dbraw/zinc/52/99/96/478529996.db2.gz LZDIXCLONSVJCG-RYQLBKOJSA-N 2 0 330.451 2.916 20 30 EFEDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572053 478583045 /nfs/dbraw/zinc/58/30/45/478583045.db2.gz IRCDMDBSHUXWIA-XTVVNEHGSA-N 2 0 343.471 2.590 20 30 EFEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570791 478583111 /nfs/dbraw/zinc/58/31/11/478583111.db2.gz OHEWISPXKMEPJU-LPHOPBHVSA-N 2 0 341.503 2.822 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000591582322 478584425 /nfs/dbraw/zinc/58/44/25/478584425.db2.gz HXPVBXSXOLJBCN-FQEVSTJZSA-N 2 0 338.499 2.787 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000564845661 478828291 /nfs/dbraw/zinc/82/82/91/478828291.db2.gz ZWTVZYUFRNPUTQ-LJQANCHMSA-N 2 0 332.488 2.617 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000564845658 478828612 /nfs/dbraw/zinc/82/86/12/478828612.db2.gz ZWTVZYUFRNPUTQ-IBGZPJMESA-N 2 0 332.488 2.617 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000503911062 478848569 /nfs/dbraw/zinc/84/85/69/478848569.db2.gz OYONKEVYEVVTHA-UHFFFAOYSA-N 2 0 338.540 2.787 20 30 EFEDRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000583426644 478850115 /nfs/dbraw/zinc/85/01/15/478850115.db2.gz RIEYAEDSWUWCPU-QGZVFWFLSA-N 2 0 337.471 2.780 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)C(C)C ZINC000572873995 478942360 /nfs/dbraw/zinc/94/23/60/478942360.db2.gz ODZFPEAPMJGUKN-RBUKOAKNSA-N 2 0 329.488 2.810 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000598720632 478989628 /nfs/dbraw/zinc/98/96/28/478989628.db2.gz QHJDKVJVVMKRPB-GOSISDBHSA-N 2 0 345.487 2.552 20 30 EFEDRP C(#CC[N@@H+]1CC[C@@H](c2cccnc2)C1)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000568877483 479131703 /nfs/dbraw/zinc/13/17/03/479131703.db2.gz JTQCEONBVVCXOC-SZPZYZBQSA-N 2 0 346.478 2.759 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)cc1 ZINC000593320760 479293733 /nfs/dbraw/zinc/29/37/33/479293733.db2.gz FZTLBOJEONLGKE-UHFFFAOYSA-N 2 0 338.430 2.915 20 30 EFEDRP C[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000593323105 479295200 /nfs/dbraw/zinc/29/52/00/479295200.db2.gz PRXFFHWWGDOVOE-OXQOHEQNSA-N 2 0 326.488 2.643 20 30 EFEDRP CCc1nc(CN2CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC2)cs1 ZINC000574713256 479334829 /nfs/dbraw/zinc/33/48/29/479334829.db2.gz IQQBKBDQJYJNAP-MRXNPFEDSA-N 2 0 345.516 2.951 20 30 EFEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390621 479365282 /nfs/dbraw/zinc/36/52/82/479365282.db2.gz LNZSQJVLGBVWFV-HXUWFJFHSA-N 2 0 326.488 2.553 20 30 EFEDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390432 479365649 /nfs/dbraw/zinc/36/56/49/479365649.db2.gz AIRPEJVRBLISMW-FQEVSTJZSA-N 2 0 326.488 2.551 20 30 EFEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392429 479366010 /nfs/dbraw/zinc/36/60/10/479366010.db2.gz VKHANIXLEPABFY-DYESRHJHSA-N 2 0 340.515 2.799 20 30 EFEDRP N#Cc1ccc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000596652966 479373319 /nfs/dbraw/zinc/37/33/19/479373319.db2.gz XLJLQNRUSWYNAA-CTNGQTDRSA-N 2 0 333.435 2.946 20 30 EFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602516516 479378124 /nfs/dbraw/zinc/37/81/24/479378124.db2.gz MQDGBJVKOQBJJB-KRWDZBQOSA-N 2 0 345.487 2.816 20 30 EFEDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000611465694 479386752 /nfs/dbraw/zinc/38/67/52/479386752.db2.gz CJOAOMQOXMTQPL-YOEHRIQHSA-N 2 0 330.451 2.516 20 30 EFEDRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000618568564 479495392 /nfs/dbraw/zinc/49/53/92/479495392.db2.gz IAYOKZXEZWWGKT-RLLQIKCJSA-N 2 0 326.488 2.647 20 30 EFEDRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000593912125 479505714 /nfs/dbraw/zinc/50/57/14/479505714.db2.gz ASUGCZJKXMJGRK-BMFAXAFESA-N 2 0 342.487 2.517 20 30 EFEDRP N#CCC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602831343 479581424 /nfs/dbraw/zinc/58/14/24/479581424.db2.gz NTHBLGBAQOYXAR-FQEVSTJZSA-N 2 0 338.499 2.572 20 30 EFEDRP C=CC[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)C(C)(C)C ZINC000661760336 481294370 /nfs/dbraw/zinc/29/43/70/481294370.db2.gz RKHLSYJLOBKTTO-UHFFFAOYSA-N 2 0 335.517 2.679 20 30 EFEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000177904799 526454792 /nfs/dbraw/zinc/45/47/92/526454792.db2.gz GJZYGPWRGIQPDY-QGZVFWFLSA-N 2 0 331.504 2.928 20 30 EFEDRP CC(C)[NH+](CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C(C)C ZINC000304814589 535052135 /nfs/dbraw/zinc/05/21/35/535052135.db2.gz ZUXQBVIDTHMYMF-KRWDZBQOSA-N 2 0 332.492 2.923 20 30 EFEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000303768262 535106917 /nfs/dbraw/zinc/10/69/17/535106917.db2.gz AEXHVKPYOBMDGG-SFHVURJKSA-N 2 0 348.491 2.557 20 30 EFEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425529194 535199452 /nfs/dbraw/zinc/19/94/52/535199452.db2.gz AWYFRNFVWGOZDG-SFHVURJKSA-N 2 0 328.504 2.967 20 30 EFEDRP CC[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000261711603 535261522 /nfs/dbraw/zinc/26/15/22/535261522.db2.gz HGWUUAMUJHHJKE-QGZVFWFLSA-N 2 0 340.581 2.757 20 30 EFEDRP CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC000359572204 535400851 /nfs/dbraw/zinc/40/08/51/535400851.db2.gz QJMDAHAKVPGOQS-IBGZPJMESA-N 2 0 344.503 2.569 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1oc2ccc(F)cc2c1C ZINC000262005385 535596584 /nfs/dbraw/zinc/59/65/84/535596584.db2.gz REPBEHODDBLLIY-AWEZNQCLSA-N 2 0 332.423 2.769 20 30 EFEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000658033250 547340011 /nfs/dbraw/zinc/34/00/11/547340011.db2.gz CVJBNYOSIQSEKX-RTBURBONSA-N 2 0 335.536 2.508 20 30 EFEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000658033249 547340208 /nfs/dbraw/zinc/34/02/08/547340208.db2.gz CVJBNYOSIQSEKX-RBUKOAKNSA-N 2 0 335.536 2.508 20 30 EFEDRP CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000754857195 575503978 /nfs/dbraw/zinc/50/39/78/575503978.db2.gz BVZFVJNYNOZWOV-QGZVFWFLSA-N 2 0 338.540 2.815 20 30 EFEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769515489 577369112 /nfs/dbraw/zinc/36/91/12/577369112.db2.gz QYMKHGPUNJKCCZ-XLIONFOSSA-N 2 0 345.487 2.910 20 30 EFEDRP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001752707223 1250832131 /nfs/dbraw/zinc/83/21/31/1250832131.db2.gz MVHLMPHUSCNTDO-UXHICEINSA-N 2 0 347.547 2.835 20 30 EFEDRP Cc1ccc(NC(=[NH2+])NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000303876326 1251336548 /nfs/dbraw/zinc/33/65/48/1251336548.db2.gz DXDQMKAYWJBZQR-UHFFFAOYSA-N 2 0 326.444 2.862 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834939 1251683305 /nfs/dbraw/zinc/68/33/05/1251683305.db2.gz ZNBGYOXYJCVIAL-RBUKOAKNSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683660 1252159779 /nfs/dbraw/zinc/15/97/79/1252159779.db2.gz CGCMNPMWUWONFP-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574990 1253152993 /nfs/dbraw/zinc/15/29/93/1253152993.db2.gz NNIKBVLCWSLNHR-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332457 1253180320 /nfs/dbraw/zinc/18/03/20/1253180320.db2.gz CGBABADETGRPFE-AEFFLSMTSA-N 2 0 345.487 2.585 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332458 1253180580 /nfs/dbraw/zinc/18/05/80/1253180580.db2.gz CGBABADETGRPFE-FUHWJXTLSA-N 2 0 345.487 2.585 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185891046 1253297459 /nfs/dbraw/zinc/29/74/59/1253297459.db2.gz GBFMOIJDRUXQIN-UHFFFAOYSA-N 2 0 343.515 2.594 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825634 1254745495 /nfs/dbraw/zinc/74/54/95/1254745495.db2.gz VWLYSHLSZAUSRL-FUHWJXTLSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995990907 1254921282 /nfs/dbraw/zinc/92/12/82/1254921282.db2.gz CQPQTYFONCKAST-HOTGVXAUSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996012827 1254937631 /nfs/dbraw/zinc/93/76/31/1254937631.db2.gz XOTSRINBVMBDLO-HNNXBMFYSA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C ZINC000996045599 1254961017 /nfs/dbraw/zinc/96/10/17/1254961017.db2.gz YIJPBNAJXDNBCH-HNNXBMFYSA-N 2 0 332.835 2.527 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190639 1255065876 /nfs/dbraw/zinc/06/58/76/1255065876.db2.gz MJVXNZQFCYCQLC-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996190641 1255065946 /nfs/dbraw/zinc/06/59/46/1255065946.db2.gz MJVXNZQFCYCQLC-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299983 1255184401 /nfs/dbraw/zinc/18/44/01/1255184401.db2.gz HWULHVLJTYLFHY-HNAYVOBHSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996381824 1255264985 /nfs/dbraw/zinc/26/49/85/1255264985.db2.gz ZUOQFGWETKEAQU-CVEARBPZSA-N 2 0 341.927 2.828 20 30 EFEDRP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098815330 1255396254 /nfs/dbraw/zinc/39/62/54/1255396254.db2.gz WHKKPYLTUOQFQX-AZUAARDMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000996667617 1255689805 /nfs/dbraw/zinc/68/98/05/1255689805.db2.gz FHEILJAVQUYSAZ-KRWDZBQOSA-N 2 0 339.911 2.727 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439063 1255822102 /nfs/dbraw/zinc/82/21/02/1255822102.db2.gz PZSKPRNWWTVXCS-WSTZPKSXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439301 1255824606 /nfs/dbraw/zinc/82/46/06/1255824606.db2.gz VFMWCIRRUYKTMK-UYAOXDASSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107451150 1255855499 /nfs/dbraw/zinc/85/54/99/1255855499.db2.gz PIFYRRAJQMFQLD-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495236 1255976895 /nfs/dbraw/zinc/97/68/95/1255976895.db2.gz LEXILRMPUZIKQS-YLJYHZDGSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821509 1255992093 /nfs/dbraw/zinc/99/20/93/1255992093.db2.gz PAXIYWJTXPFTDR-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP CC#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821507 1255992910 /nfs/dbraw/zinc/99/29/10/1255992910.db2.gz PAXIYWJTXPFTDR-ICSRJNTNSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821570 1256000321 /nfs/dbraw/zinc/00/03/21/1256000321.db2.gz PPIVSLXVXLHJFR-ICSRJNTNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549555 1256100552 /nfs/dbraw/zinc/10/05/52/1256100552.db2.gz BAQCFFOIJVSTNP-YLJYHZDGSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566566 1256154350 /nfs/dbraw/zinc/15/43/50/1256154350.db2.gz AGYODYDQVDFFAC-QKNQBKEWSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566598 1256155058 /nfs/dbraw/zinc/15/50/58/1256155058.db2.gz BQJXSEVWNGNLJV-SFHLNBCPSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000996909611 1256452401 /nfs/dbraw/zinc/45/24/01/1256452401.db2.gz FZRUJQSAOJLGEZ-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000997006507 1256668174 /nfs/dbraw/zinc/66/81/74/1256668174.db2.gz MHIMYTZATLESNK-QGZVFWFLSA-N 2 0 345.890 2.532 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997185337 1257227033 /nfs/dbraw/zinc/22/70/33/1257227033.db2.gz FRPGPPBFDLWYEH-CQSZACIVSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997278632 1257324376 /nfs/dbraw/zinc/32/43/76/1257324376.db2.gz HLVTZAGOJLZUKG-SCTDSRPQSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673922 1266116713 /nfs/dbraw/zinc/11/67/13/1266116713.db2.gz LZLBTGIXFWDSCN-INIZCTEOSA-N 2 0 341.927 2.926 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445788 1257482965 /nfs/dbraw/zinc/48/29/65/1257482965.db2.gz QSRDWFQEIYQEIH-FHWLQOOXSA-N 2 0 331.504 2.645 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997387892 1257562271 /nfs/dbraw/zinc/56/22/71/1257562271.db2.gz QWKJZHCKTIDRFS-QUCCMNQESA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997635403 1258138449 /nfs/dbraw/zinc/13/84/49/1258138449.db2.gz FXAMEZWONYEUHK-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653485 1258171155 /nfs/dbraw/zinc/17/11/55/1258171155.db2.gz OFSKLZIMQUJQSP-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997829886 1258504563 /nfs/dbraw/zinc/50/45/63/1258504563.db2.gz VCIOOOAGLFUMJC-KRWDZBQOSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007970 1258934752 /nfs/dbraw/zinc/93/47/52/1258934752.db2.gz PYVVTHHAYFYJMN-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006670 1258937414 /nfs/dbraw/zinc/93/74/14/1258937414.db2.gz LTTYMORXGRNPGH-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643006 1258954806 /nfs/dbraw/zinc/95/48/06/1258954806.db2.gz QBVJIMIDVZLTNT-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000998054624 1259030644 /nfs/dbraw/zinc/03/06/44/1259030644.db2.gz XUVUNNMSXVDFII-KRWDZBQOSA-N 2 0 338.455 2.593 20 30 EFEDRP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998101381 1259111830 /nfs/dbraw/zinc/11/18/30/1259111830.db2.gz HOPWXNYQMPCLJS-OALUTQOASA-N 2 0 335.536 2.997 20 30 EFEDRP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000998190478 1259213390 /nfs/dbraw/zinc/21/33/90/1259213390.db2.gz QDBBKXHDYZAQIZ-FQEVSTJZSA-N 2 0 341.499 2.698 20 30 EFEDRP C=CCN1c2ccccc2[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144466 1260171496 /nfs/dbraw/zinc/17/14/96/1260171496.db2.gz QDPRKFFMHCUJPN-UWJYYQICSA-N 2 0 339.483 2.505 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000999159375 1260266463 /nfs/dbraw/zinc/26/64/63/1260266463.db2.gz ADMJINWJSUZVOQ-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540456 1260650035 /nfs/dbraw/zinc/65/00/35/1260650035.db2.gz XLODQYCJASGHQW-FPOVZHCZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999562761 1260736664 /nfs/dbraw/zinc/73/66/64/1260736664.db2.gz QSYPTZBKDGCKFR-CQSZACIVSA-N 2 0 332.835 2.589 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999794820 1260903520 /nfs/dbraw/zinc/90/35/20/1260903520.db2.gz VYZJPFLIMAALME-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023147 1261282626 /nfs/dbraw/zinc/28/26/26/1261282626.db2.gz UCUSUWXXMSURSM-MJGOQNOKSA-N 2 0 341.540 2.504 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902720 1261691135 /nfs/dbraw/zinc/69/11/35/1261691135.db2.gz WOTLAQKCNXBPIF-QGFMHUBQSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001006120952 1261813070 /nfs/dbraw/zinc/81/30/70/1261813070.db2.gz SRGWSXGIWFRPAT-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001405815 1262181877 /nfs/dbraw/zinc/18/18/77/1262181877.db2.gz USFCTVWMKPGOOP-RTBURBONSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078726914 1262231647 /nfs/dbraw/zinc/23/16/47/1262231647.db2.gz ZUVMQWBYWZNTQM-OALUTQOASA-N 2 0 341.499 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078748840 1262269128 /nfs/dbraw/zinc/26/91/28/1262269128.db2.gz GFAAHTNQVKWLMD-MSOLQXFVSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078747659 1262296924 /nfs/dbraw/zinc/29/69/24/1262296924.db2.gz SWLXRRGBNSUSPH-RTBURBONSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086599424 1278134847 /nfs/dbraw/zinc/13/48/47/1278134847.db2.gz NTHOFNVTDVTMCZ-VQTJNVASSA-N 2 0 346.434 2.718 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819063 1262362788 /nfs/dbraw/zinc/36/27/88/1262362788.db2.gz IDHZTMXBJKVNEL-ROUUACIJSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001486201163 1262784993 /nfs/dbraw/zinc/78/49/93/1262784993.db2.gz QYLCKQAIALBNRZ-JKSUJKDBSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486412596 1263037671 /nfs/dbraw/zinc/03/76/71/1263037671.db2.gz XCVPELBQHCMTKA-AWEZNQCLSA-N 2 0 331.932 2.837 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513486 1263210219 /nfs/dbraw/zinc/21/02/19/1263210219.db2.gz PTEVWBOIESLYGP-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346728 1263843093 /nfs/dbraw/zinc/84/30/93/1263843093.db2.gz YSRKFNKEXYKAKE-QWFCFKBJSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346219 1263845227 /nfs/dbraw/zinc/84/52/27/1263845227.db2.gz BJYJXZMBQKEJJV-QWFCFKBJSA-N 2 0 345.531 2.750 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483139 1264357319 /nfs/dbraw/zinc/35/73/19/1264357319.db2.gz CNTXKYWCPQCIOQ-IAGOWNOFSA-N 2 0 341.540 2.503 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958060 1264764953 /nfs/dbraw/zinc/76/49/53/1264764953.db2.gz JOMYHVUIOXLYDU-RLLQIKCJSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492183 1264818076 /nfs/dbraw/zinc/81/80/76/1264818076.db2.gz CQHWHVVZABZEOB-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997984 1264874872 /nfs/dbraw/zinc/87/48/72/1264874872.db2.gz LOAAAYYQCCIPRY-HOJAQTOUSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014187 1264925745 /nfs/dbraw/zinc/92/57/45/1264925745.db2.gz KEVUQCRFAODKSJ-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016641 1264933179 /nfs/dbraw/zinc/93/31/79/1264933179.db2.gz CJWMFASBZQTFEY-RDGPPVDQSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101205 1265143876 /nfs/dbraw/zinc/14/38/76/1265143876.db2.gz GIRCLOQTAWCABE-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591119 1266531022 /nfs/dbraw/zinc/53/10/22/1266531022.db2.gz OHAMGGQQSBVBPV-YRPNKDGESA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591120 1266531276 /nfs/dbraw/zinc/53/12/76/1266531276.db2.gz OHAMGGQQSBVBPV-ZGXWSNOMSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CN1CCC2(CC[NH+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039714 1266552474 /nfs/dbraw/zinc/55/24/74/1266552474.db2.gz TVKBDOGBTOQNBI-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597907 1266724843 /nfs/dbraw/zinc/72/48/43/1266724843.db2.gz PQBYSYNHHDUQML-ZGXWSNOMSA-N 2 0 347.547 2.853 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429750 1266988066 /nfs/dbraw/zinc/98/80/66/1266988066.db2.gz OOEYOEAYIMZGNS-UXHICEINSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004440730 1267004922 /nfs/dbraw/zinc/00/49/22/1267004922.db2.gz FIPMHTFEQWATEL-QRQLOZEOSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004444632 1267016267 /nfs/dbraw/zinc/01/62/67/1267016267.db2.gz YZULDHBJGJHRIZ-QRQLOZEOSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456780 1267085605 /nfs/dbraw/zinc/08/56/05/1267085605.db2.gz HYTJPQKFMRFVAJ-OALUTQOASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004457672 1267088126 /nfs/dbraw/zinc/08/81/26/1267088126.db2.gz JSNMIBBZWUOZIB-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458703 1267094691 /nfs/dbraw/zinc/09/46/91/1267094691.db2.gz QDWACVPJHMAVLY-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004473174 1267120414 /nfs/dbraw/zinc/12/04/14/1267120414.db2.gz LDPCKNPSWLAJSY-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004474480 1267122060 /nfs/dbraw/zinc/12/20/60/1267122060.db2.gz OVNDRFJWKXDXTK-IAGOWNOFSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946615753 1267124948 /nfs/dbraw/zinc/12/49/48/1267124948.db2.gz QUDNAFGQHNAJOJ-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946615568 1267125209 /nfs/dbraw/zinc/12/52/09/1267125209.db2.gz OCZHJMWOBHBFLI-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004489649 1267143846 /nfs/dbraw/zinc/14/38/46/1267143846.db2.gz MYSHWXLFKHSWSC-IBGZPJMESA-N 2 0 338.455 2.837 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004505582 1267176447 /nfs/dbraw/zinc/17/64/47/1267176447.db2.gz HMKXTEQTPGCHQA-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621297 1267193789 /nfs/dbraw/zinc/19/37/89/1267193789.db2.gz SUXCJBYSTIUPLI-HSALFYBXSA-N 2 0 347.547 2.711 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004519005 1267207864 /nfs/dbraw/zinc/20/78/64/1267207864.db2.gz BQVTUHFVPBTEHE-IHPCNDPISA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004518995 1267208789 /nfs/dbraw/zinc/20/87/89/1267208789.db2.gz BJUCPXHXUAXMOG-WDSOQIARSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004528000 1267227285 /nfs/dbraw/zinc/22/72/85/1267227285.db2.gz MXBCXLDRKPELPO-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004549245 1267275692 /nfs/dbraw/zinc/27/56/92/1267275692.db2.gz VTSVBUGDBOVGCR-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631416 1267337625 /nfs/dbraw/zinc/33/76/25/1267337625.db2.gz GHGDHUWTMVVJJC-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585547 1267341842 /nfs/dbraw/zinc/34/18/42/1267341842.db2.gz GSSVVQSOVFIUNB-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085389145 1267349401 /nfs/dbraw/zinc/34/94/01/1267349401.db2.gz UOCNAXZRUVAUBA-RTBURBONSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004593389 1267355071 /nfs/dbraw/zinc/35/50/71/1267355071.db2.gz RZYZJXPFAOLZPM-FQEVSTJZSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595185 1267360649 /nfs/dbraw/zinc/36/06/49/1267360649.db2.gz GCHAAKCEKDNAHN-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004608705 1267394393 /nfs/dbraw/zinc/39/43/93/1267394393.db2.gz BBWUQSFBXIXLKP-IBGZPJMESA-N 2 0 344.503 2.632 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618279 1267412405 /nfs/dbraw/zinc/41/24/05/1267412405.db2.gz CVPNJMHIWPHEDI-HXUWFJFHSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004618524 1267412861 /nfs/dbraw/zinc/41/28/61/1267412861.db2.gz FRSTVPVHXMFRND-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001085432221 1267457143 /nfs/dbraw/zinc/45/71/43/1267457143.db2.gz ODRHXVNOSSTCHD-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644405 1267468533 /nfs/dbraw/zinc/46/85/33/1267468533.db2.gz BICAKVJXCVLANM-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710486 1267754736 /nfs/dbraw/zinc/75/47/36/1267754736.db2.gz PPMWLQYMRVTQCS-HDICACEKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598105 1267961490 /nfs/dbraw/zinc/96/14/90/1267961490.db2.gz MYRMGIHPDIUOFA-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598104 1267961884 /nfs/dbraw/zinc/96/18/84/1267961884.db2.gz MYRMGIHPDIUOFA-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598708 1267963729 /nfs/dbraw/zinc/96/37/29/1267963729.db2.gz YLQQVQVQQROHLS-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)CC1 ZINC001273126999 1268650271 /nfs/dbraw/zinc/65/02/71/1268650271.db2.gz WKFLFHLMQYGWPC-VAMGGRTRSA-N 2 0 345.531 2.916 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297712 1268688041 /nfs/dbraw/zinc/68/80/41/1268688041.db2.gz RWOKHPMGOCSWPH-GOSISDBHSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCN1CCC2(CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128356 1268696833 /nfs/dbraw/zinc/69/68/33/1268696833.db2.gz RMCFHEBAAOEWRI-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803848 1268739396 /nfs/dbraw/zinc/73/93/96/1268739396.db2.gz YJRLAGZDWFVDJY-KURKYZTESA-N 2 0 330.476 2.581 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808331 1268774491 /nfs/dbraw/zinc/77/44/91/1268774491.db2.gz ORVDOABGLAOQKZ-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819212 1268868766 /nfs/dbraw/zinc/86/87/66/1268868766.db2.gz WTQJQDHBSXYVJS-ZGXWSNOMSA-N 2 0 345.531 2.750 20 30 EFEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000740738058 1269014329 /nfs/dbraw/zinc/01/43/29/1269014329.db2.gz SKXZFCPWVONKEG-FQEVSTJZSA-N 2 0 341.499 2.673 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417624 1269090813 /nfs/dbraw/zinc/09/08/13/1269090813.db2.gz WMIMZOZYHGZQQN-LPHOPBHVSA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033697307 1269834911 /nfs/dbraw/zinc/83/49/11/1269834911.db2.gz CAJBZGHSLYLPCZ-INIZCTEOSA-N 2 0 333.476 2.844 20 30 EFEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395059 1270333139 /nfs/dbraw/zinc/33/31/39/1270333139.db2.gz HIFOUPFCIJIOGC-GOSISDBHSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086176550 1270352864 /nfs/dbraw/zinc/35/28/64/1270352864.db2.gz GBOZXDOJHNHMJK-SCTDSRPQSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856774 1270402012 /nfs/dbraw/zinc/40/20/12/1270402012.db2.gz WGAAJEAUUYDWFI-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012865 1270829976 /nfs/dbraw/zinc/82/99/76/1270829976.db2.gz QQEJFFOSSYCDSZ-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196712 1270882079 /nfs/dbraw/zinc/88/20/79/1270882079.db2.gz KTZIJXWGVHCCRT-OAGGEKHMSA-N 2 0 327.900 2.629 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196711 1270883029 /nfs/dbraw/zinc/88/30/29/1270883029.db2.gz KTZIJXWGVHCCRT-BZUAXINKSA-N 2 0 327.900 2.629 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001034250519 1271425222 /nfs/dbraw/zinc/42/52/22/1271425222.db2.gz RIUXNSPWFMXQLR-IAGOWNOFSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034261338 1271473351 /nfs/dbraw/zinc/47/33/51/1271473351.db2.gz WMPSBHOLZULSRZ-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(Cl)CN1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034366119 1271787105 /nfs/dbraw/zinc/78/71/05/1271787105.db2.gz WXPFBMJBNWVICP-OAHLLOKOSA-N 2 0 339.867 2.678 20 30 EFEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404561 1271910363 /nfs/dbraw/zinc/91/03/63/1271910363.db2.gz KEEMBSKXXXWOMR-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445403 1271972200 /nfs/dbraw/zinc/97/22/00/1271972200.db2.gz SLGWAJOPFZVXNQ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543766 1272256960 /nfs/dbraw/zinc/25/69/60/1272256960.db2.gz JMBFUECSUVQHOW-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001034643111 1272432733 /nfs/dbraw/zinc/43/27/33/1272432733.db2.gz PMUKGJMMVDAYOZ-LUKYLMHMSA-N 2 0 339.911 2.630 20 30 EFEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001169111945 1272701784 /nfs/dbraw/zinc/70/17/84/1272701784.db2.gz RJUPZZIFQFTTEJ-MZADTFQBSA-N 2 0 338.499 2.737 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844034339 1278726276 /nfs/dbraw/zinc/72/62/76/1278726276.db2.gz AWFRJYLJRUWAQQ-LJQANCHMSA-N 2 0 329.488 2.616 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001034754314 1272832450 /nfs/dbraw/zinc/83/24/50/1272832450.db2.gz ZPAWUPUZXWCJPI-LUKYLMHMSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001034775004 1272923846 /nfs/dbraw/zinc/92/38/46/1272923846.db2.gz ARZUOHTYBSLXII-WGSAOQKQSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796565 1272989923 /nfs/dbraw/zinc/98/99/23/1272989923.db2.gz IYXZGTGMLXOLSS-LDKKBFSKSA-N 2 0 327.900 2.629 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720854 1273423844 /nfs/dbraw/zinc/42/38/44/1273423844.db2.gz TZDXCPJRNWELNT-SZMVWBNQSA-N 2 0 338.455 2.883 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765298 1273469736 /nfs/dbraw/zinc/46/97/36/1273469736.db2.gz MSKLXQLDCMXIBW-BZSNNMDCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784244 1273481463 /nfs/dbraw/zinc/48/14/63/1273481463.db2.gz NEFLPKCFNITXNA-FHWLQOOXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108784245 1273481500 /nfs/dbraw/zinc/48/15/00/1273481500.db2.gz NEFLPKCFNITXNA-OTWHNJEPSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789797 1273482371 /nfs/dbraw/zinc/48/23/71/1273482371.db2.gz SHOHIPXANDINKM-WDSOQIARSA-N 2 0 333.520 2.652 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108797041 1273490472 /nfs/dbraw/zinc/49/04/72/1273490472.db2.gz ZCYVLBNFGNVBKM-ZCNNSNEGSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005775131 1273520657 /nfs/dbraw/zinc/52/06/57/1273520657.db2.gz WZBNCANCLYSGEC-UHFFFAOYSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086530280 1273736904 /nfs/dbraw/zinc/73/69/04/1273736904.db2.gz POCLEROIXJGBQB-ULQDDVLXSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184376 1273751106 /nfs/dbraw/zinc/75/11/06/1273751106.db2.gz JHIMFVXDCLZJRX-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197131 1273759911 /nfs/dbraw/zinc/75/99/11/1273759911.db2.gz ISVLIWBBSSBXFJ-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035201263 1273771579 /nfs/dbraw/zinc/77/15/79/1273771579.db2.gz TVIFDPVNEKOJIQ-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202438 1273774141 /nfs/dbraw/zinc/77/41/41/1273774141.db2.gz VAOCTRPSYGZROR-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035220242 1273828459 /nfs/dbraw/zinc/82/84/59/1273828459.db2.gz OUXGMXLKYXCFPV-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233550 1273884294 /nfs/dbraw/zinc/88/42/94/1273884294.db2.gz IFQYHUVIARWGBA-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233698 1273884855 /nfs/dbraw/zinc/88/48/55/1273884855.db2.gz KFZOOEFYONBCJC-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243579 1273912164 /nfs/dbraw/zinc/91/21/64/1273912164.db2.gz AKMCMYKLROEFSA-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244524 1273916968 /nfs/dbraw/zinc/91/69/68/1273916968.db2.gz QEHBIMFUQAJAHK-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260020 1273954933 /nfs/dbraw/zinc/95/49/33/1273954933.db2.gz NJFBEVVDNUPYQM-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001109399637 1274241277 /nfs/dbraw/zinc/24/12/77/1274241277.db2.gz QAAGZNLSYOWWGY-RDGPPVDQSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C2 ZINC001109433594 1274269552 /nfs/dbraw/zinc/26/95/52/1274269552.db2.gz UNAQTOQYJGFIKX-OWSLCNJRSA-N 2 0 330.476 2.768 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001109440191 1274278580 /nfs/dbraw/zinc/27/85/80/1274278580.db2.gz JHWZYJISNRADOL-IKGGRYGDSA-N 2 0 330.476 2.614 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442960 1274283445 /nfs/dbraw/zinc/28/34/45/1274283445.db2.gz OSGOKESKPJOMEL-YRXWBPOGSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485216 1274335338 /nfs/dbraw/zinc/33/53/38/1274335338.db2.gz PZENIAYEMWFACH-BDXSIMOUSA-N 2 0 331.504 2.691 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CC[NH+](C)C)CC2 ZINC001035754339 1274439207 /nfs/dbraw/zinc/43/92/07/1274439207.db2.gz ALBJNBMVGDOVTJ-UHFFFAOYSA-N 2 0 341.499 2.515 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035809853 1274539492 /nfs/dbraw/zinc/53/94/92/1274539492.db2.gz CDRNBFOFXVHAPL-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814989 1274549109 /nfs/dbraw/zinc/54/91/09/1274549109.db2.gz XCAVTEXRQGYIOY-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836876 1274574470 /nfs/dbraw/zinc/57/44/70/1274574470.db2.gz OPEPIHDETXJLSX-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035859192 1274614285 /nfs/dbraw/zinc/61/42/85/1274614285.db2.gz SDDAFWIULUYMQG-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975778 1274921067 /nfs/dbraw/zinc/92/10/67/1274921067.db2.gz DCQAZCNIXIEAMJ-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557399 1275148687 /nfs/dbraw/zinc/14/86/87/1275148687.db2.gz DTCBJLDWSRVTGD-HBFSDRIKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563250 1275187612 /nfs/dbraw/zinc/18/76/12/1275187612.db2.gz MYNRKUJLNNPDRF-BJLQDIEVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585586 1275309195 /nfs/dbraw/zinc/30/91/95/1275309195.db2.gz GUONBDIAYJAXCT-ZVDOUQERSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001036256712 1275309736 /nfs/dbraw/zinc/30/97/36/1275309736.db2.gz NCIVVQJVOUOYST-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001036302564 1275383954 /nfs/dbraw/zinc/38/39/54/1275383954.db2.gz JKUGAIVFFDVXKJ-KBXCAEBGSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086557421 1275845351 /nfs/dbraw/zinc/84/53/51/1275845351.db2.gz MUZMJGISFIEHPS-JCNLHEQBSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086558496 1275888017 /nfs/dbraw/zinc/88/80/17/1275888017.db2.gz UOTGTFADXHWZMM-KOMQPUFPSA-N 2 0 335.879 2.599 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855187 1276110695 /nfs/dbraw/zinc/11/06/95/1276110695.db2.gz NIBRRCJCRRDTML-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996034 1276286831 /nfs/dbraw/zinc/28/68/31/1276286831.db2.gz PRSFSPIXMJSYPQ-DLBZAZTESA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170878732 1276321482 /nfs/dbraw/zinc/32/14/82/1276321482.db2.gz QCMAOOPEXMOIOL-OWCLPIDISA-N 2 0 329.916 2.734 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965612 1276352746 /nfs/dbraw/zinc/35/27/46/1276352746.db2.gz LIKZWIOAVCVXJA-PKOBYXMFSA-N 2 0 333.520 2.892 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OC ZINC000817918615 1276376360 /nfs/dbraw/zinc/37/63/60/1276376360.db2.gz LMBKVPDUWIHBRN-DJIMGWMZSA-N 2 0 331.460 2.854 20 30 EFEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001170896670 1276501958 /nfs/dbraw/zinc/50/19/58/1276501958.db2.gz ZARQCBUUHIJLSJ-QAPCUYQASA-N 2 0 347.507 2.631 20 30 EFEDRP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCC[NH+](C)C ZINC001174962188 1287269707 /nfs/dbraw/zinc/26/97/07/1287269707.db2.gz QSDPXOYBLDJBAP-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC[C@@H]2C1 ZINC000946875356 1277276525 /nfs/dbraw/zinc/27/65/25/1277276525.db2.gz NEOVULUXPSLNGJ-ZVDOUQERSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005988436 1277303838 /nfs/dbraw/zinc/30/38/38/1277303838.db2.gz VQXBNMMNPDLGJW-LJQANCHMSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086587786 1277638302 /nfs/dbraw/zinc/63/83/02/1277638302.db2.gz NEUMYSXBHIZTSH-XUVXKRRUSA-N 2 0 341.499 2.629 20 30 EFEDRP N#CC1(c2ccccc2)CCC([NH+]2CCN(CCCC[NH3+])CC2)CC1 ZINC001170375606 1279074051 /nfs/dbraw/zinc/07/40/51/1279074051.db2.gz AAGSCAVHIIKJJJ-UHFFFAOYSA-N 2 0 340.515 2.747 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609425 1279180734 /nfs/dbraw/zinc/18/07/34/1279180734.db2.gz FXHXWALUGUDBMT-YZGWKJHDSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCN(CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 ZINC000844698152 1279208349 /nfs/dbraw/zinc/20/83/49/1279208349.db2.gz LQPOJJAVQUFWLI-ICSRJNTNSA-N 2 0 339.483 2.575 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001171193820 1279754091 /nfs/dbraw/zinc/75/40/91/1279754091.db2.gz CQVGOSNYNGGNMJ-QGZVFWFLSA-N 2 0 341.499 2.970 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114287396 1280129291 /nfs/dbraw/zinc/12/92/91/1280129291.db2.gz KNKQAHOTZPZADA-BDXSIMOUSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846480266 1280194112 /nfs/dbraw/zinc/19/41/12/1280194112.db2.gz AQANGMGZONFZGU-UHFFFAOYSA-N 2 0 333.501 2.931 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001206246484 1287406752 /nfs/dbraw/zinc/40/67/52/1287406752.db2.gz YUJGEORDGHGYBJ-INIZCTEOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001091283352 1280266701 /nfs/dbraw/zinc/26/67/01/1280266701.db2.gz GFWNWMIIFPUAJQ-UHFFFAOYSA-N 2 0 335.879 2.599 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245586 1280417280 /nfs/dbraw/zinc/41/72/80/1280417280.db2.gz ABLXGPODVAAZED-IEBWSBKVSA-N 2 0 333.520 2.681 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959313 1287420503 /nfs/dbraw/zinc/42/05/03/1287420503.db2.gz NOUKBUXIWZQTSH-KBPBESRZSA-N 2 0 347.850 2.506 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398240 1280915925 /nfs/dbraw/zinc/91/59/25/1280915925.db2.gz MZEFPKHMINGYDQ-HZPDHXFCSA-N 2 0 329.916 2.878 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584827 1280940062 /nfs/dbraw/zinc/94/00/62/1280940062.db2.gz VFSJAAVGGVVYEN-ROUUACIJSA-N 2 0 345.531 2.705 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610136 1280950696 /nfs/dbraw/zinc/95/06/96/1280950696.db2.gz HTMXLDDYMIINLP-MSOLQXFVSA-N 2 0 335.536 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/CC)CC1 ZINC001146610198 1280951514 /nfs/dbraw/zinc/95/15/14/1280951514.db2.gz IPBUDOKPGKJICT-KBSZCIAZSA-N 2 0 333.520 2.561 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001146613568 1280951820 /nfs/dbraw/zinc/95/18/20/1280951820.db2.gz UGHRCMJROXFZGD-ROUUACIJSA-N 2 0 347.547 2.785 20 30 EFEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146700841 1280980588 /nfs/dbraw/zinc/98/05/88/1280980588.db2.gz IGCWVFTXAWNRJZ-HZPDHXFCSA-N 2 0 333.476 2.631 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171308348 1281192900 /nfs/dbraw/zinc/19/29/00/1281192900.db2.gz RBUKQCCTAPLJSG-ROUUACIJSA-N 2 0 335.536 2.785 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CC ZINC001171308304 1281192999 /nfs/dbraw/zinc/19/29/99/1281192999.db2.gz QNMBJUNBWDZBAS-FNYRVFDFSA-N 2 0 333.520 2.705 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001147582963 1281212722 /nfs/dbraw/zinc/21/27/22/1281212722.db2.gz KDVMSOQAARXTAP-FGTMMUONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658272 1281231104 /nfs/dbraw/zinc/23/11/04/1281231104.db2.gz NWAPVKRMXUSMQJ-IAGOWNOFSA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147717578 1281245604 /nfs/dbraw/zinc/24/56/04/1281245604.db2.gz ZSDSDIFPUBVKNL-RTBURBONSA-N 2 0 347.547 2.853 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCCCC)C2 ZINC001147736745 1281256599 /nfs/dbraw/zinc/25/65/99/1281256599.db2.gz HTPCXWQRZACBLR-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672503 1281381637 /nfs/dbraw/zinc/38/16/37/1281381637.db2.gz OYGSFHLOCRPVRX-XLIONFOSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017448 1281387375 /nfs/dbraw/zinc/38/73/75/1281387375.db2.gz OMOIHFQVQIVQST-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148153028 1281429776 /nfs/dbraw/zinc/42/97/76/1281429776.db2.gz GHAFIVOEYDKDDI-MRXNPFEDSA-N 2 0 345.487 2.844 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284846 1281493303 /nfs/dbraw/zinc/49/33/03/1281493303.db2.gz HJJITXDIOAAOPG-ZWKOTPCHSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148520011 1281581545 /nfs/dbraw/zinc/58/15/45/1281581545.db2.gz QEEQDKNWVKDNHP-GOSISDBHSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738108 1281687158 /nfs/dbraw/zinc/68/71/58/1281687158.db2.gz QLYGOGZOWPUVAH-LMNJBCLMSA-N 2 0 345.531 2.750 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175727998 1287530599 /nfs/dbraw/zinc/53/05/99/1287530599.db2.gz AWIBYVPKFSQKGE-KRWDZBQOSA-N 2 0 329.488 2.650 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175731504 1287532326 /nfs/dbraw/zinc/53/23/26/1287532326.db2.gz YKTZOGZRUGWBHX-KRWDZBQOSA-N 2 0 329.488 2.650 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928149 1281989917 /nfs/dbraw/zinc/98/99/17/1281989917.db2.gz WPQXSODELVMYSK-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086933954 1282008066 /nfs/dbraw/zinc/00/80/66/1282008066.db2.gz BRLLMFXOQDATFD-MJGOQNOKSA-N 2 0 345.531 2.750 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958699 1282033303 /nfs/dbraw/zinc/03/33/03/1282033303.db2.gz YYLQVHRGHKSILE-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809892 1282140277 /nfs/dbraw/zinc/14/02/77/1282140277.db2.gz ZEKXPFQKWDECSR-SBHAEUEKSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092189603 1282448565 /nfs/dbraw/zinc/44/85/65/1282448565.db2.gz GHVLZNSLSROBOJ-DYXWJJEUSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100074 1287596164 /nfs/dbraw/zinc/59/61/64/1287596164.db2.gz ARTGLBOGKDBFIY-SJORKVTESA-N 2 0 331.504 2.853 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129098 1283012747 /nfs/dbraw/zinc/01/27/47/1283012747.db2.gz SAJDLJAXGAKFBT-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918839 1283093913 /nfs/dbraw/zinc/09/39/13/1283093913.db2.gz OLFCRDBIWGRBEN-NVXWUHKLSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731601 1283294518 /nfs/dbraw/zinc/29/45/18/1283294518.db2.gz WNQABHBDEWRPIW-HOCLYGCPSA-N 2 0 333.501 2.532 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748413 1283394070 /nfs/dbraw/zinc/39/40/70/1283394070.db2.gz DLUYIHFACIPCDH-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759320 1283462737 /nfs/dbraw/zinc/46/27/37/1283462737.db2.gz JWTCEYQZTDKFFE-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762214 1283477905 /nfs/dbraw/zinc/47/79/05/1283477905.db2.gz HADVVKDZBVOQEH-PKOBYXMFSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001093243490 1283490609 /nfs/dbraw/zinc/49/06/09/1283490609.db2.gz MQSHBCDSJIIXNJ-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093222951 1283511362 /nfs/dbraw/zinc/51/13/62/1283511362.db2.gz TTWCJXLVHVEPCY-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426460 1283552154 /nfs/dbraw/zinc/55/21/54/1283552154.db2.gz XRVLHMCBPCUJDZ-MSOLQXFVSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@@H]21 ZINC001036779220 1283607661 /nfs/dbraw/zinc/60/76/61/1283607661.db2.gz GVHYQGSQDOHBGY-ICSRJNTNSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801285 1283767723 /nfs/dbraw/zinc/76/77/23/1283767723.db2.gz JDZNCVJMGJADFE-SJLPKXTDSA-N 2 0 345.487 2.844 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519516 1283782333 /nfs/dbraw/zinc/78/23/33/1283782333.db2.gz ZYRIGRWNDJBUKQ-AZUAARDMSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093372610 1283814059 /nfs/dbraw/zinc/81/40/59/1283814059.db2.gz FYCLTMXLORKAEO-MOPGFXCFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001093373922 1283818767 /nfs/dbraw/zinc/81/87/67/1283818767.db2.gz UZVRRUORKWJNBN-RTBURBONSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093382844 1283854566 /nfs/dbraw/zinc/85/45/66/1283854566.db2.gz FDAKAEYABFWGHR-MOPGFXCFSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652595 1287671406 /nfs/dbraw/zinc/67/14/06/1287671406.db2.gz JMENJTBECYBPAP-BHIFYINESA-N 2 0 339.527 2.832 20 30 EFEDRP C[C@H](C#N)OCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062588 1284012876 /nfs/dbraw/zinc/01/28/76/1284012876.db2.gz ONIDTVNKKWDLCK-RLLQIKCJSA-N 2 0 327.472 2.902 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@H]21 ZINC001036821333 1284062427 /nfs/dbraw/zinc/06/24/27/1284062427.db2.gz YIEFNQXLFZJQQD-VQTJNVASSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842184 1284241595 /nfs/dbraw/zinc/24/15/95/1284241595.db2.gz LJEAMIXLLKDJGH-UXHICEINSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858891 1284335067 /nfs/dbraw/zinc/33/50/67/1284335067.db2.gz GZNJZVQKVIUSIF-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858893 1284335437 /nfs/dbraw/zinc/33/54/37/1284335437.db2.gz GZNJZVQKVIUSIF-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132832499 1284360954 /nfs/dbraw/zinc/36/09/54/1284360954.db2.gz XNZXUXANBXZSOI-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132869526 1284403511 /nfs/dbraw/zinc/40/35/11/1284403511.db2.gz JVLZTNGFRWFDEA-ZBFHGGJFSA-N 2 0 335.517 2.684 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001176112764 1287714299 /nfs/dbraw/zinc/71/42/99/1287714299.db2.gz ZHZSVNOFQCGMJM-OALUTQOASA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132922810 1284470167 /nfs/dbraw/zinc/47/01/67/1284470167.db2.gz AEOXUVYVGSCDFE-MSOLQXFVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132925396 1284475192 /nfs/dbraw/zinc/47/51/92/1284475192.db2.gz XJPVMUSWKJSIRB-RBUKOAKNSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132932643 1284485158 /nfs/dbraw/zinc/48/51/58/1284485158.db2.gz KOWNKXLUWVOPAK-DZGCQCFKSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950947 1284511880 /nfs/dbraw/zinc/51/18/80/1284511880.db2.gz SPYSDJRTLVZRMD-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973760 1284533712 /nfs/dbraw/zinc/53/37/12/1284533712.db2.gz QILBNOQQUJDRCM-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133015480 1284622794 /nfs/dbraw/zinc/62/27/94/1284622794.db2.gz FLJRQHOJTQICDZ-RBUKOAKNSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133010953 1284651505 /nfs/dbraw/zinc/65/15/05/1284651505.db2.gz DPIFROMKWSLZSG-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133011149 1284652116 /nfs/dbraw/zinc/65/21/16/1284652116.db2.gz GRNFMAPMPIBIRK-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012440 1284655047 /nfs/dbraw/zinc/65/50/47/1284655047.db2.gz QZWAICLMEDPFQZ-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133039653 1284666054 /nfs/dbraw/zinc/66/60/54/1284666054.db2.gz UBWSVLGZZZRJCA-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133065215 1284731425 /nfs/dbraw/zinc/73/14/25/1284731425.db2.gz VEIQGARVIJAEDB-NVXWUHKLSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001133116916 1284822620 /nfs/dbraw/zinc/82/26/20/1284822620.db2.gz CWCIGTDNYQBVLP-XLIONFOSSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176201087 1287741391 /nfs/dbraw/zinc/74/13/91/1287741391.db2.gz VVNNSIVKOFHJNT-CQSZACIVSA-N 2 0 338.883 2.778 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213428 1285001003 /nfs/dbraw/zinc/00/10/03/1285001003.db2.gz MXUAHVHSMAPEBP-PKOBYXMFSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413416 1285038237 /nfs/dbraw/zinc/03/82/37/1285038237.db2.gz FLFRRELIUKDULN-QWFCFKBJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133246419 1285047137 /nfs/dbraw/zinc/04/71/37/1285047137.db2.gz WNAKSZPJYVNCIK-OALUTQOASA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133250355 1285054936 /nfs/dbraw/zinc/05/49/36/1285054936.db2.gz UCKJUQCJSALQLC-SJORKVTESA-N 2 0 344.503 2.802 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133237417 1285062228 /nfs/dbraw/zinc/06/22/28/1285062228.db2.gz CSOLVCMRVXVTLY-PMACEKPBSA-N 2 0 349.563 2.986 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133256069 1285095577 /nfs/dbraw/zinc/09/55/77/1285095577.db2.gz ZQDAHSHZINZPHG-ZBFHGGJFSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094496570 1285159347 /nfs/dbraw/zinc/15/93/47/1285159347.db2.gz BFXWAAMZRCTMEN-QWFCFKBJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094470790 1285171129 /nfs/dbraw/zinc/17/11/29/1285171129.db2.gz XNLPUUJAJFPAQV-UYAOXDASSA-N 2 0 338.455 2.885 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133336816 1285213920 /nfs/dbraw/zinc/21/39/20/1285213920.db2.gz GBULPOXNAVAJRL-APWZRJJASA-N 2 0 329.488 2.622 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001133355161 1285250537 /nfs/dbraw/zinc/25/05/37/1285250537.db2.gz VVLWFBFQONAEQF-DLBZAZTESA-N 2 0 347.503 2.995 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001133398160 1285314566 /nfs/dbraw/zinc/31/45/66/1285314566.db2.gz HFLXXTALIUSSPV-UHFFFAOYSA-N 2 0 349.906 2.929 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)[NH+](C)C ZINC001133399108 1285321851 /nfs/dbraw/zinc/32/18/51/1285321851.db2.gz COVNJJOXXUADDE-GOSISDBHSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133404005 1285356611 /nfs/dbraw/zinc/35/66/11/1285356611.db2.gz UJDCKSMIKVMVOJ-INIZCTEOSA-N 2 0 349.906 2.786 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)[NH+](C)C ZINC001133405676 1285359288 /nfs/dbraw/zinc/35/92/88/1285359288.db2.gz KYDFHIZXTGPVST-KRWDZBQOSA-N 2 0 337.895 2.784 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)CCC ZINC001133410639 1285371170 /nfs/dbraw/zinc/37/11/70/1285371170.db2.gz STOYNVIXASYGNT-UHFFFAOYSA-N 2 0 337.895 2.786 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)C(C)C ZINC001133410571 1285372602 /nfs/dbraw/zinc/37/26/02/1285372602.db2.gz NXIZYXCVQZMNOE-UHFFFAOYSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161665 1285504077 /nfs/dbraw/zinc/50/40/77/1285504077.db2.gz OVCLMUHBGSIGAY-YDZRNGNQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618277 1285680921 /nfs/dbraw/zinc/68/09/21/1285680921.db2.gz HKCDHOJDEKRERN-QGZVFWFLSA-N 2 0 332.492 2.749 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171918184 1285903224 /nfs/dbraw/zinc/90/32/24/1285903224.db2.gz MCYIUZRWYHLZEP-NVXWUHKLSA-N 2 0 341.927 2.878 20 30 EFEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001172129261 1286013194 /nfs/dbraw/zinc/01/31/94/1286013194.db2.gz XXJWEFYOGPWJFG-BCDXTJNWSA-N 2 0 342.462 2.835 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172120864 1286030307 /nfs/dbraw/zinc/03/03/07/1286030307.db2.gz GPTOQUIKQLTZEF-MDMHHNQBSA-N 2 0 334.504 2.828 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172120866 1286030368 /nfs/dbraw/zinc/03/03/68/1286030368.db2.gz GPTOQUIKQLTZEF-WPVAHCMFSA-N 2 0 334.504 2.828 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172296332 1286110653 /nfs/dbraw/zinc/11/06/53/1286110653.db2.gz HGZKVAUYFBOXAT-WMLDXEAASA-N 2 0 346.475 2.669 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001172298777 1286111594 /nfs/dbraw/zinc/11/15/94/1286111594.db2.gz FYELPDWKYARRDP-KRWDZBQOSA-N 2 0 334.467 2.920 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCO[C@H](C)CC)CC1 ZINC001172350349 1286121186 /nfs/dbraw/zinc/12/11/86/1286121186.db2.gz XTNGPVSHVRNACY-VQTJNVASSA-N 2 0 337.552 2.872 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172481588 1286145036 /nfs/dbraw/zinc/14/50/36/1286145036.db2.gz TYKKEFIBVPTPNH-HXUWFJFHSA-N 2 0 337.552 2.729 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179145862 1289056681 /nfs/dbraw/zinc/05/66/81/1289056681.db2.gz BQCGYZNBQLYERV-VKJFTORMSA-N 2 0 326.444 2.882 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001094923676 1286184300 /nfs/dbraw/zinc/18/43/00/1286184300.db2.gz SHOLYKJLUKPXEZ-KSZLIROESA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950940 1286280869 /nfs/dbraw/zinc/28/08/69/1286280869.db2.gz WNPPUXCPKJOPBP-JZXOWHBKSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001094962058 1286301712 /nfs/dbraw/zinc/30/17/12/1286301712.db2.gz NTHHPFRRRWYCPF-LXZKKBNFSA-N 2 0 344.846 2.670 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086717188 1286331460 /nfs/dbraw/zinc/33/14/60/1286331460.db2.gz KXHRJQBFZZXKRL-YQVWRLOYSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001094985769 1286352357 /nfs/dbraw/zinc/35/23/57/1286352357.db2.gz FFERUGBJJARHHD-UAGQMJEPSA-N 2 0 331.460 2.500 20 30 EFEDRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976939 1286363262 /nfs/dbraw/zinc/36/32/62/1286363262.db2.gz XQAOCRJPCHMYOX-CABCVRRESA-N 2 0 338.496 2.598 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001095061975 1286471206 /nfs/dbraw/zinc/47/12/06/1286471206.db2.gz DJZPFHBBJCYWKW-SZMVWBNQSA-N 2 0 327.472 2.517 20 30 EFEDRP CCN1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173360101 1286548148 /nfs/dbraw/zinc/54/81/48/1286548148.db2.gz XKQVSGUWZVRFTI-UFYCRDLUSA-N 2 0 326.488 2.724 20 30 EFEDRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001179399705 1289122751 /nfs/dbraw/zinc/12/27/51/1289122751.db2.gz FLNYLRNCYDCTPY-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179362048 1289125971 /nfs/dbraw/zinc/12/59/71/1289125971.db2.gz VCCQCPGBDDQTAZ-IBGZPJMESA-N 2 0 333.520 2.683 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650354 1287117447 /nfs/dbraw/zinc/11/74/47/1287117447.db2.gz QIXWGWOIDXKNHQ-OAHLLOKOSA-N 2 0 329.916 2.878 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773686 1287171688 /nfs/dbraw/zinc/17/16/88/1287171688.db2.gz QLKQSZXOTSNQSV-CVEARBPZSA-N 2 0 344.503 2.661 20 30 EFEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481202 1288036531 /nfs/dbraw/zinc/03/65/31/1288036531.db2.gz RGOBHBJMVMRYGQ-MSOLQXFVSA-N 2 0 331.504 2.610 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176729023 1288087030 /nfs/dbraw/zinc/08/70/30/1288087030.db2.gz UWDQZIFUMRIREQ-MRXNPFEDSA-N 2 0 329.916 2.880 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC1 ZINC001176736821 1288087908 /nfs/dbraw/zinc/08/79/08/1288087908.db2.gz FOCLOIAEEDMQBL-SFHVURJKSA-N 2 0 335.536 2.642 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)CC1 ZINC001176736659 1288087930 /nfs/dbraw/zinc/08/79/30/1288087930.db2.gz CUWFNOQVCZENDE-SFHVURJKSA-N 2 0 333.520 2.562 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086739751 1288090118 /nfs/dbraw/zinc/09/01/18/1288090118.db2.gz PVACEPDOYFMBRB-LSDHHAIUSA-N 2 0 346.862 2.883 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176754638 1288120958 /nfs/dbraw/zinc/12/09/58/1288120958.db2.gz XEARDHIBIVSAAD-IBGZPJMESA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760165 1288122394 /nfs/dbraw/zinc/12/23/94/1288122394.db2.gz QWRXDZQTWDYJOD-CVEARBPZSA-N 2 0 329.916 2.878 20 30 EFEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691440 1288268244 /nfs/dbraw/zinc/26/82/44/1288268244.db2.gz URPYOLDRASFVGR-ROUUACIJSA-N 2 0 341.540 2.574 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177265978 1288368889 /nfs/dbraw/zinc/36/88/89/1288368889.db2.gz AZNTZHDSZMMKIS-QGZVFWFLSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001177324156 1288390542 /nfs/dbraw/zinc/39/05/42/1288390542.db2.gz QWWNXZHJXKWJHS-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000817097953 1288418884 /nfs/dbraw/zinc/41/88/84/1288418884.db2.gz RUHSJEVZQSYKMD-UHFFFAOYSA-N 2 0 341.499 2.619 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001177434174 1288439284 /nfs/dbraw/zinc/43/92/84/1288439284.db2.gz RNPUFGRWTCBWKY-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114353442 1302765620 /nfs/dbraw/zinc/76/56/20/1302765620.db2.gz SBRXHBKBPLNYFE-QMCVQRASSA-N 2 0 347.528 2.824 20 30 EFEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCCC[NH+](C)C ZINC001135965998 1288689440 /nfs/dbraw/zinc/68/94/40/1288689440.db2.gz HGCCDCPYUAGQTE-IRXDYDNUSA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001178808364 1288917780 /nfs/dbraw/zinc/91/77/80/1288917780.db2.gz GPYJBHBMPCFHPO-UHFFFAOYSA-N 2 0 341.927 2.881 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001179592404 1289193408 /nfs/dbraw/zinc/19/34/08/1289193408.db2.gz AJURPLGFRYIESH-UHFFFAOYSA-N 2 0 343.515 2.694 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001165879392 1312696411 /nfs/dbraw/zinc/69/64/11/1312696411.db2.gz WBUCQCKBUAOHNG-UHFFFAOYSA-N 2 0 344.503 2.750 20 30 EFEDRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001179992429 1289359008 /nfs/dbraw/zinc/35/90/08/1289359008.db2.gz YEYVLDSRIDSMDJ-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001180035420 1289389390 /nfs/dbraw/zinc/38/93/90/1289389390.db2.gz DMCKCHZAJZOIKF-IBGZPJMESA-N 2 0 335.536 2.931 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967714 1312712353 /nfs/dbraw/zinc/71/23/53/1312712353.db2.gz KPJVNVHHLFCTQC-KRWDZBQOSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC(C)C)CC1 ZINC001180360654 1289494615 /nfs/dbraw/zinc/49/46/15/1289494615.db2.gz LSUHJTXUMWZCLT-UHFFFAOYSA-N 2 0 335.536 2.644 20 30 EFEDRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180369409 1289515308 /nfs/dbraw/zinc/51/53/08/1289515308.db2.gz DIGHLCPGXOQLKL-UHFFFAOYSA-N 2 0 343.515 2.645 20 30 EFEDRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(OCC#N)cc1 ZINC000873246150 1289680624 /nfs/dbraw/zinc/68/06/24/1289680624.db2.gz SJJJOCZGANZNHX-HNNXBMFYSA-N 2 0 337.427 2.567 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166189684 1312742440 /nfs/dbraw/zinc/74/24/40/1312742440.db2.gz OIGYIHYEBYGBKX-UHFFFAOYSA-N 2 0 326.444 2.790 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC/C=C\CC)C1 ZINC001181763350 1289932775 /nfs/dbraw/zinc/93/27/75/1289932775.db2.gz GFWDVMVZIDDBSU-QLUPPNIVSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182116111 1290077795 /nfs/dbraw/zinc/07/77/95/1290077795.db2.gz CTNJJOGZMVUGCQ-DNVCBOLYSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182169117 1290100095 /nfs/dbraw/zinc/10/00/95/1290100095.db2.gz GLQGUVUWZPIALJ-YFVAEKQCSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001182346194 1290175231 /nfs/dbraw/zinc/17/52/31/1290175231.db2.gz LTSUBBVUUWYZDI-WSTZPKSXSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391277 1312770092 /nfs/dbraw/zinc/77/00/92/1312770092.db2.gz QXPKOKIECBTBPW-SFHVURJKSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240599 1290316380 /nfs/dbraw/zinc/31/63/80/1290316380.db2.gz MCQWRQWSNDRDDZ-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183410968 1290340572 /nfs/dbraw/zinc/34/05/72/1290340572.db2.gz ULRUQMGXLSNYCI-WSTZPKSXSA-N 2 0 335.536 2.759 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001184497646 1290462149 /nfs/dbraw/zinc/46/21/49/1290462149.db2.gz MFZUNJVOZJNOLW-CVEARBPZSA-N 2 0 347.528 2.521 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184724738 1290504036 /nfs/dbraw/zinc/50/40/36/1290504036.db2.gz OVNKPEIVFJIJFU-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184735616 1290508383 /nfs/dbraw/zinc/50/83/83/1290508383.db2.gz QAPOFUDIRPWLIG-FUHWJXTLSA-N 2 0 340.471 2.988 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184882860 1290535277 /nfs/dbraw/zinc/53/52/77/1290535277.db2.gz OOYHIIVAWKBXMT-OALUTQOASA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184892911 1290538764 /nfs/dbraw/zinc/53/87/64/1290538764.db2.gz SDIQPUVRQFBYDU-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184892914 1290539390 /nfs/dbraw/zinc/53/93/90/1290539390.db2.gz SDIQPUVRQFBYDU-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184893244 1290539904 /nfs/dbraw/zinc/53/99/04/1290539904.db2.gz VLBVGQCEZBBAIO-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184881781 1290544480 /nfs/dbraw/zinc/54/44/80/1290544480.db2.gz ADVFZFPHSJSWJM-MSOLQXFVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185170810 1290608198 /nfs/dbraw/zinc/60/81/98/1290608198.db2.gz RZKFQAZMJHOSFO-ROUUACIJSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185170808 1290608999 /nfs/dbraw/zinc/60/89/99/1290608999.db2.gz RZKFQAZMJHOSFO-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001185410558 1290681516 /nfs/dbraw/zinc/68/15/16/1290681516.db2.gz DAYMATVSDDSDJB-PKOBYXMFSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185681208 1290734519 /nfs/dbraw/zinc/73/45/19/1290734519.db2.gz JYKNDXCDKHCNHW-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185741058 1290754327 /nfs/dbraw/zinc/75/43/27/1290754327.db2.gz GUWCVZHROBSIRL-QFBILLFUSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185749733 1290762618 /nfs/dbraw/zinc/76/26/18/1290762618.db2.gz DYFIBBJBERLMBS-IAGOWNOFSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662028 1290776412 /nfs/dbraw/zinc/77/64/12/1290776412.db2.gz BIWHTBNCWRDNLO-PIIMJCKOSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687791 1312820122 /nfs/dbraw/zinc/82/01/22/1312820122.db2.gz ZXKQSTPGDWHWSO-QAPCUYQASA-N 2 0 327.488 2.650 20 30 EFEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)CC1 ZINC001186604568 1290998941 /nfs/dbraw/zinc/99/89/41/1290998941.db2.gz FJNMCDNCFMDAIQ-IBGZPJMESA-N 2 0 347.547 2.692 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001187004107 1291081070 /nfs/dbraw/zinc/08/10/70/1291081070.db2.gz IWVRBXCEUAKMQC-UYAOXDASSA-N 2 0 329.488 2.620 20 30 EFEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000877045532 1291114978 /nfs/dbraw/zinc/11/49/78/1291114978.db2.gz BCHMWIUNLZGYKT-SFHVURJKSA-N 2 0 345.487 2.692 20 30 EFEDRP CN(C)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1C#N ZINC001233102397 1312855632 /nfs/dbraw/zinc/85/56/32/1312855632.db2.gz YAOYOMAWGXSPHE-UHFFFAOYSA-N 2 0 330.451 2.681 20 30 EFEDRP CC(=O)[C@@](C#N)(CCN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126199 1291508439 /nfs/dbraw/zinc/50/84/39/1291508439.db2.gz UQGHQNRXAUMOJQ-CTNGQTDRSA-N 2 0 339.483 2.845 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971278 1291533304 /nfs/dbraw/zinc/53/33/04/1291533304.db2.gz SLJGJALYWXUGEN-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979429 1312875075 /nfs/dbraw/zinc/87/50/75/1312875075.db2.gz VYGBTKJKZOJDJI-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957545079 1291738844 /nfs/dbraw/zinc/73/88/44/1291738844.db2.gz GPOQPTNBPFJLAI-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957559655 1291765406 /nfs/dbraw/zinc/76/54/06/1291765406.db2.gz NTLXLPOOCGRFAV-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560383 1291766533 /nfs/dbraw/zinc/76/65/33/1291766533.db2.gz XTPSUGJEOZDZGH-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560417 1291766768 /nfs/dbraw/zinc/76/67/68/1291766768.db2.gz ZLKBTYNOTOJMCO-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957560977 1291769049 /nfs/dbraw/zinc/76/90/49/1291769049.db2.gz BZYASPHIIIGVJA-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000957568287 1291780045 /nfs/dbraw/zinc/78/00/45/1291780045.db2.gz GUHYSQOGLFBONE-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCCC[NH+]1CCC2(C=C(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001277779467 1312881043 /nfs/dbraw/zinc/88/10/43/1312881043.db2.gz HYPTVZFTQSAECQ-UHFFFAOYSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCCC[N@@H+]1CCc2cc(C(=O)N3CCC([NH+](C)C)CC3)[nH]c2C1 ZINC001277780058 1312881976 /nfs/dbraw/zinc/88/19/76/1312881976.db2.gz ZRJFEIVKDDHAIF-UHFFFAOYSA-N 2 0 344.503 2.505 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016621356 1312886483 /nfs/dbraw/zinc/88/64/83/1312886483.db2.gz PGVKREWVDAGSTO-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957615329 1291884968 /nfs/dbraw/zinc/88/49/68/1291884968.db2.gz XWCDMGSSADVRHZ-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957626355 1291911177 /nfs/dbraw/zinc/91/11/77/1291911177.db2.gz MQEACAUAOUWVLQ-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000957628337 1291915855 /nfs/dbraw/zinc/91/58/55/1291915855.db2.gz LDUYQASGSHYREW-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)CC1 ZINC000957636014 1291934946 /nfs/dbraw/zinc/93/49/46/1291934946.db2.gz SMIHDTKUMVKPKU-UHFFFAOYSA-N 2 0 344.503 2.968 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957645010 1291954163 /nfs/dbraw/zinc/95/41/63/1291954163.db2.gz RLOXXNUNYBBIIM-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957645294 1291955248 /nfs/dbraw/zinc/95/52/48/1291955248.db2.gz VSYUFVUZVREIGA-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221455 1292049958 /nfs/dbraw/zinc/04/99/58/1292049958.db2.gz AQVVFKYFYUYZMT-MOPGFXCFSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221808 1292050246 /nfs/dbraw/zinc/05/02/46/1292050246.db2.gz ONWWSALDZWQMFM-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473583 1312900397 /nfs/dbraw/zinc/90/03/97/1312900397.db2.gz MCVMYGRJZYIUMU-YZGWKJHDSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325102 1292117213 /nfs/dbraw/zinc/11/72/13/1292117213.db2.gz REAKXJZPNBOKNI-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016652336 1312904578 /nfs/dbraw/zinc/90/45/78/1312904578.db2.gz RWXJXOPWRNQTJR-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016652337 1312904754 /nfs/dbraw/zinc/90/47/54/1312904754.db2.gz RWXJXOPWRNQTJR-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190445649 1292164749 /nfs/dbraw/zinc/16/47/49/1292164749.db2.gz ZJGIKFZPEHXGPJ-ZWKOTPCHSA-N 2 0 341.515 2.945 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654653 1312906892 /nfs/dbraw/zinc/90/68/92/1312906892.db2.gz IQCICFFQGUQYIQ-QZTJIDSGSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016660821 1312910078 /nfs/dbraw/zinc/91/00/78/1312910078.db2.gz BZTWKVRMJMMANM-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663848 1312912126 /nfs/dbraw/zinc/91/21/26/1312912126.db2.gz UXJOHRKJVSZQMP-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203288023 1292298555 /nfs/dbraw/zinc/29/85/55/1292298555.db2.gz NGAUEJPTJCJVDJ-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001191010830 1292424253 /nfs/dbraw/zinc/42/42/53/1292424253.db2.gz QSRYIZWKAWNOQJ-ROUUACIJSA-N 2 0 346.519 2.949 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191081325 1292456866 /nfs/dbraw/zinc/45/68/66/1292456866.db2.gz QZLWSYZYKAUVJV-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145388 1292491912 /nfs/dbraw/zinc/49/19/12/1292491912.db2.gz UMLCYJLZGGWYGX-SFHVURJKSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016696759 1312931864 /nfs/dbraw/zinc/93/18/64/1312931864.db2.gz AKDXTJMDFVQMEV-SFHVURJKSA-N 2 0 338.455 2.803 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701646 1312934592 /nfs/dbraw/zinc/93/45/92/1312934592.db2.gz CIPAXHBLFWJKLU-MSOLQXFVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701920 1312934625 /nfs/dbraw/zinc/93/46/25/1312934625.db2.gz GLYAUBMWEHIZDM-MSOLQXFVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515731 1292558036 /nfs/dbraw/zinc/55/80/36/1292558036.db2.gz VTIMOZNICSLMKY-IBGZPJMESA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016710450 1312939561 /nfs/dbraw/zinc/93/95/61/1312939561.db2.gz QRNCJDYWEAKAIH-SFHVURJKSA-N 2 0 338.455 2.885 20 30 EFEDRP N#Cc1ccc(Br)cc1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205570967 1292653961 /nfs/dbraw/zinc/65/39/61/1292653961.db2.gz QWHMZHUZGMVHEF-OAHLLOKOSA-N 2 0 340.240 2.974 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191987004 1292728761 /nfs/dbraw/zinc/72/87/61/1292728761.db2.gz CAZNIPDJUMXVCT-NVXWUHKLSA-N 2 0 333.476 2.842 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049515940 1312953058 /nfs/dbraw/zinc/95/30/58/1312953058.db2.gz WWDUMLNSRPLUPT-IPMKNSEASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588214 1312963903 /nfs/dbraw/zinc/96/39/03/1312963903.db2.gz JFADJPFLRCKUJA-RTBURBONSA-N 2 0 345.531 2.702 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525824 1312967227 /nfs/dbraw/zinc/96/72/27/1312967227.db2.gz RFXYAEWJIBWANI-IPMKNSEASA-N 2 0 331.504 2.645 20 30 EFEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203604380 1312968150 /nfs/dbraw/zinc/96/81/50/1312968150.db2.gz DAYJEEJHGLYLCO-QZTJIDSGSA-N 2 0 333.520 2.539 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203607594 1312969621 /nfs/dbraw/zinc/96/96/21/1312969621.db2.gz XTIUIAWDZSDMDL-MOPGFXCFSA-N 2 0 347.547 2.929 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203607595 1312969834 /nfs/dbraw/zinc/96/98/34/1312969834.db2.gz XTIUIAWDZSDMDL-OALUTQOASA-N 2 0 347.547 2.929 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049524471 1312965994 /nfs/dbraw/zinc/96/59/94/1312965994.db2.gz MDHXFYZALMGLCB-CEXWTWQISA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616289 1312971776 /nfs/dbraw/zinc/97/17/76/1312971776.db2.gz YANCSIOATATHNB-QZTJIDSGSA-N 2 0 342.487 2.744 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016793172 1312983170 /nfs/dbraw/zinc/98/31/70/1312983170.db2.gz GLPVBVDGVXVJJC-QGZVFWFLSA-N 2 0 345.487 2.892 20 30 EFEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203295689 1293299301 /nfs/dbraw/zinc/29/93/01/1293299301.db2.gz JWIXMVFOFITUIG-HXUWFJFHSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729448 1313000732 /nfs/dbraw/zinc/00/07/32/1313000732.db2.gz GQUQAINJELLBCH-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203743573 1313004243 /nfs/dbraw/zinc/00/42/43/1313004243.db2.gz SUORFUUAIZFDNT-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770237 1313010343 /nfs/dbraw/zinc/01/03/43/1313010343.db2.gz FKGBMCXROMYWNX-HZPDHXFCSA-N 2 0 339.911 2.632 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC001194226870 1293560812 /nfs/dbraw/zinc/56/08/12/1293560812.db2.gz HFPFCOMCKQMAFV-KRWDZBQOSA-N 2 0 347.528 2.605 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C2)CC1 ZINC001194247583 1293570145 /nfs/dbraw/zinc/57/01/45/1293570145.db2.gz XZZKGBOFHYPQCE-QUCCMNQESA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773887 1313012039 /nfs/dbraw/zinc/01/20/39/1313012039.db2.gz WWJGHLRLOLBFOH-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783327 1313013768 /nfs/dbraw/zinc/01/37/68/1313013768.db2.gz ROQSBNMKAMNPTF-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860494 1313014833 /nfs/dbraw/zinc/01/48/33/1313014833.db2.gz IHTNZPIFLWQEST-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862018 1313015496 /nfs/dbraw/zinc/01/54/96/1313015496.db2.gz RQFNWKIYXGZAHC-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560251 1313018410 /nfs/dbraw/zinc/01/84/10/1313018410.db2.gz CAKQICOJXNLXSM-OALUTQOASA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016891198 1313029266 /nfs/dbraw/zinc/02/92/66/1313029266.db2.gz CKMUUUIDLCNNAH-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571774 1313034169 /nfs/dbraw/zinc/03/41/69/1313034169.db2.gz GXTBSOCALDYMHB-RBUKOAKNSA-N 2 0 338.455 2.979 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016904754 1313035709 /nfs/dbraw/zinc/03/57/09/1313035709.db2.gz CVYSBPWWILBLIK-SFHVURJKSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001203888933 1313041526 /nfs/dbraw/zinc/04/15/26/1313041526.db2.gz SMZCNCLRFLYQSR-UHFFFAOYSA-N 2 0 347.547 2.739 20 30 EFEDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C#N)cc1)C2 ZINC001203901066 1313043720 /nfs/dbraw/zinc/04/37/20/1313043720.db2.gz FILBAPSKJKXSJI-RTWAWAEBSA-N 2 0 339.483 2.739 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922479 1313043978 /nfs/dbraw/zinc/04/39/78/1313043978.db2.gz DIKIUFWZQYWOCS-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641887 1294302569 /nfs/dbraw/zinc/30/25/69/1294302569.db2.gz QQQNAIHICLTEDH-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619846 1294307810 /nfs/dbraw/zinc/30/78/10/1294307810.db2.gz NFUPYJWBTYPOEN-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016985952 1313072873 /nfs/dbraw/zinc/07/28/73/1313072873.db2.gz NFEDLFOIRMYEJF-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001204056928 1313073210 /nfs/dbraw/zinc/07/32/10/1313073210.db2.gz OUVMLDJYKCHRND-UHFFFAOYSA-N 2 0 333.476 2.892 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N2CCSCC2)cc1 ZINC000303774997 1294578095 /nfs/dbraw/zinc/57/80/95/1294578095.db2.gz GLTAIHCRQIKLEG-INIZCTEOSA-N 2 0 346.544 2.925 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[NH+]2CCCC2)c1 ZINC000303780273 1294580424 /nfs/dbraw/zinc/58/04/24/1294580424.db2.gz LFZVINAZSLEPLO-UHFFFAOYSA-N 2 0 334.464 2.697 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)cc1 ZINC000303863628 1294591443 /nfs/dbraw/zinc/59/14/43/1294591443.db2.gz AIWLGAGGVABHNE-MRXNPFEDSA-N 2 0 331.508 2.564 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)cc1 ZINC000303863627 1294591467 /nfs/dbraw/zinc/59/14/67/1294591467.db2.gz AIWLGAGGVABHNE-INIZCTEOSA-N 2 0 331.508 2.564 20 30 EFEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000303869615 1294593011 /nfs/dbraw/zinc/59/30/11/1294593011.db2.gz DZZQZFDTMBSUTM-CYBMUJFWSA-N 2 0 330.354 2.652 20 30 EFEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000303872658 1294593605 /nfs/dbraw/zinc/59/36/05/1294593605.db2.gz CEARARPECPOHSD-INIZCTEOSA-N 2 0 331.508 2.563 20 30 EFEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000303870822 1294593637 /nfs/dbraw/zinc/59/36/37/1294593637.db2.gz BKVQKTPWNXYJQT-UHFFFAOYSA-N 2 0 332.492 2.612 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303881279 1294595822 /nfs/dbraw/zinc/59/58/22/1294595822.db2.gz KSDSZYVPZNWMST-AWEZNQCLSA-N 2 0 348.491 2.941 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000303881118 1294595928 /nfs/dbraw/zinc/59/59/28/1294595928.db2.gz KQSIBAOXMKCHDD-IAGOWNOFSA-N 2 0 345.535 2.810 20 30 EFEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)NCCc1ccccc1 ZINC000303890798 1294597390 /nfs/dbraw/zinc/59/73/90/1294597390.db2.gz MQZHKLVHZQWJSH-UHFFFAOYSA-N 2 0 336.483 2.582 20 30 EFEDRP OC1CC[NH+](CCC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000303890283 1294597551 /nfs/dbraw/zinc/59/75/51/1294597551.db2.gz MNJULHZIHWGTFV-UHFFFAOYSA-N 2 0 344.503 2.787 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303883235 1294597908 /nfs/dbraw/zinc/59/79/08/1294597908.db2.gz IMARUHPCSZPSRP-HNNXBMFYSA-N 2 0 348.491 2.943 20 30 EFEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(OCC)ccc2OCC)C1 ZINC000303882585 1294598583 /nfs/dbraw/zinc/59/85/83/1294598583.db2.gz LPDHDWSVODCJGV-OAHLLOKOSA-N 2 0 348.491 2.943 20 30 EFEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000303904874 1294601218 /nfs/dbraw/zinc/60/12/18/1294601218.db2.gz VERJOGQHGZNGCX-UHFFFAOYSA-N 2 0 332.492 2.708 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303902471 1294601520 /nfs/dbraw/zinc/60/15/20/1294601520.db2.gz UBBQVYQFLKOYLR-HNNXBMFYSA-N 2 0 348.491 2.943 20 30 EFEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NCC3CCC3)CC2)cc1 ZINC000303903072 1294601744 /nfs/dbraw/zinc/60/17/44/1294601744.db2.gz YEWJTNRXFKPFPA-UHFFFAOYSA-N 2 0 344.503 2.612 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000303904213 1294601772 /nfs/dbraw/zinc/60/17/72/1294601772.db2.gz UVLLLSYQGVAWJR-CQSZACIVSA-N 2 0 346.475 2.695 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615585 1313089523 /nfs/dbraw/zinc/08/95/23/1313089523.db2.gz LVBHONLXDKCDFK-GUDVDZBRSA-N 2 0 331.504 2.502 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC/C=C\CCC)CC2)CC1 ZINC001198236550 1294948219 /nfs/dbraw/zinc/94/82/19/1294948219.db2.gz OGHXBNVEUHPTRL-SREVYHEPSA-N 2 0 345.531 2.612 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001203900237 1294963458 /nfs/dbraw/zinc/96/34/58/1294963458.db2.gz FWAPBZCMTUSVLI-UHFFFAOYSA-N 2 0 327.472 2.883 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277851810 1313116105 /nfs/dbraw/zinc/11/61/05/1313116105.db2.gz ORDDWRRPPQXGDI-RTBURBONSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198774830 1295245723 /nfs/dbraw/zinc/24/57/23/1295245723.db2.gz BFEYYNGGADBCEU-ZWKOTPCHSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1OC ZINC001198826331 1295252501 /nfs/dbraw/zinc/25/25/01/1295252501.db2.gz JPIFVTWIHMFKCZ-KRWDZBQOSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1OC ZINC001198826332 1295252514 /nfs/dbraw/zinc/25/25/14/1295252514.db2.gz JPIFVTWIHMFKCZ-QGZVFWFLSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198894938 1295297568 /nfs/dbraw/zinc/29/75/68/1295297568.db2.gz MHVBCLJJNJSWLV-ZWKOTPCHSA-N 2 0 347.503 2.749 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198903219 1295306917 /nfs/dbraw/zinc/30/69/17/1295306917.db2.gz XMCPRTBDMDYWQO-AEFFLSMTSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1OC ZINC001198984317 1295375731 /nfs/dbraw/zinc/37/57/31/1295375731.db2.gz OIXWQODATLDFQJ-SFHVURJKSA-N 2 0 345.487 2.504 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1OC ZINC001198993271 1295388494 /nfs/dbraw/zinc/38/84/94/1295388494.db2.gz MDLXIGFEYAPAAQ-SFHVURJKSA-N 2 0 347.503 2.749 20 30 EFEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)C[C@H](C)O1 ZINC000304715894 1295733163 /nfs/dbraw/zinc/73/31/63/1295733163.db2.gz ZVHXYUWGHKNPDW-HOTGVXAUSA-N 2 0 344.503 2.791 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000104181518 1295733463 /nfs/dbraw/zinc/73/34/63/1295733463.db2.gz IBIBJCNPELEGSG-HNNXBMFYSA-N 2 0 346.475 2.695 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000304739480 1295746554 /nfs/dbraw/zinc/74/65/54/1295746554.db2.gz BGCAGPCNCIWJNA-OAHLLOKOSA-N 2 0 347.894 2.752 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000304750822 1295748447 /nfs/dbraw/zinc/74/84/47/1295748447.db2.gz ISKMERGLTOPGQF-RDJZCZTQSA-N 2 0 332.492 2.577 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000304746194 1295748999 /nfs/dbraw/zinc/74/89/99/1295748999.db2.gz FRZIFHASLWYFSP-CQSZACIVSA-N 2 0 334.464 2.552 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000304759803 1295750792 /nfs/dbraw/zinc/75/07/92/1295750792.db2.gz ROULKVDIIRUDMI-HNNXBMFYSA-N 2 0 332.517 2.700 20 30 EFEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCSCC1 ZINC000304758627 1295751593 /nfs/dbraw/zinc/75/15/93/1295751593.db2.gz QEWMSLFMZVURFY-UHFFFAOYSA-N 2 0 346.544 2.926 20 30 EFEDRP C[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C[NH+]1CCOCC1 ZINC000304762933 1295755257 /nfs/dbraw/zinc/75/52/57/1295755257.db2.gz WFNCEZVSHHGOIS-SFHVURJKSA-N 2 0 344.503 2.909 20 30 EFEDRP CC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277889437 1313191225 /nfs/dbraw/zinc/19/12/25/1313191225.db2.gz PQBZTQXTMRZXRV-INIZCTEOSA-N 2 0 342.487 2.552 20 30 EFEDRP CCOc1cc(Cl)ccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000305179473 1295967343 /nfs/dbraw/zinc/96/73/43/1295967343.db2.gz BPJLDJGJPSQMPT-OAHLLOKOSA-N 2 0 338.883 2.627 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717934 1313219352 /nfs/dbraw/zinc/21/93/52/1313219352.db2.gz HQKJUKSDZGIJBY-UXHICEINSA-N 2 0 341.499 2.656 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001205000896 1313219382 /nfs/dbraw/zinc/21/93/82/1313219382.db2.gz MKNIBPLAKLFVQN-PKOBYXMFSA-N 2 0 335.492 2.629 20 30 EFEDRP C(#Cc1ccccc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235036161 1313229131 /nfs/dbraw/zinc/22/91/31/1313229131.db2.gz IYWZKOMWWHUJLC-DHIUTWEWSA-N 2 0 346.474 2.897 20 30 EFEDRP CCCCCCCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275132432 1296234998 /nfs/dbraw/zinc/23/49/98/1296234998.db2.gz SOWQGRCTNIVRBU-KDURUIRLSA-N 2 0 325.541 2.684 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cc1 ZINC001275132263 1296235778 /nfs/dbraw/zinc/23/57/78/1296235778.db2.gz PLFYUQFKPVFLET-UHFFFAOYSA-N 2 0 339.527 2.908 20 30 EFEDRP N#Cc1ccc(C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903823394 1313254055 /nfs/dbraw/zinc/25/40/55/1313254055.db2.gz GGLLIVKKTKZKTE-HXUWFJFHSA-N 2 0 339.483 2.896 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205334248 1313271021 /nfs/dbraw/zinc/27/10/21/1313271021.db2.gz IIWXACHTQXVOHB-YTQUADARSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043582 1296558563 /nfs/dbraw/zinc/55/85/63/1296558563.db2.gz DSDRLGIBFRGKOE-ROUUACIJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768697 1313279165 /nfs/dbraw/zinc/27/91/65/1313279165.db2.gz YQMAGFLXRPOMED-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448582 1313291176 /nfs/dbraw/zinc/29/11/76/1313291176.db2.gz KCTHUOXOWICZAL-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960268136 1296672626 /nfs/dbraw/zinc/67/26/26/1296672626.db2.gz QTPPFHLUNRYKLE-RTBURBONSA-N 2 0 341.499 2.809 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960271637 1296680333 /nfs/dbraw/zinc/68/03/33/1296680333.db2.gz RRUGWIFMGIAAKE-YFVAEKQCSA-N 2 0 341.499 2.807 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960271636 1296680899 /nfs/dbraw/zinc/68/08/99/1296680899.db2.gz RRUGWIFMGIAAKE-FBBABVLZSA-N 2 0 341.499 2.807 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960276512 1296689663 /nfs/dbraw/zinc/68/96/63/1296689663.db2.gz XLCZUKIHCPCMKB-VAMGGRTRSA-N 2 0 341.499 2.665 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000960335242 1296762111 /nfs/dbraw/zinc/76/21/11/1296762111.db2.gz VZDABSGUNORPKE-HSALFYBXSA-N 2 0 341.499 2.809 20 30 EFEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205582562 1313317715 /nfs/dbraw/zinc/31/77/15/1313317715.db2.gz XSUYHCWELYTAMG-HNNXBMFYSA-N 2 0 340.240 2.974 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCCCC=C)C2)CC1 ZINC001211233562 1314461255 /nfs/dbraw/zinc/46/12/55/1314461255.db2.gz IHUZCJYDFLHCEE-FQEVSTJZSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCCN(C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235466105 1313330425 /nfs/dbraw/zinc/33/04/25/1313330425.db2.gz IQKJTDQQDSWUQB-TZIWHRDSSA-N 2 0 341.499 2.590 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569616 1297038084 /nfs/dbraw/zinc/03/80/84/1297038084.db2.gz TVKURWCXSXZLRY-WTGUMLROSA-N 2 0 345.531 2.796 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCCCC#N)CC3)cc1C#N ZINC001277949559 1313337821 /nfs/dbraw/zinc/33/78/21/1313337821.db2.gz XJFPATMFHQGYFT-UHFFFAOYSA-N 2 0 339.487 2.879 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793774 1297082655 /nfs/dbraw/zinc/08/26/55/1297082655.db2.gz LNHZCTNSLCIJRH-QFBILLFUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700559 1313341102 /nfs/dbraw/zinc/34/11/02/1313341102.db2.gz LIUVPZUPAVQKQI-UHFFFAOYSA-N 2 0 326.444 2.742 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201809911 1297094700 /nfs/dbraw/zinc/09/47/00/1297094700.db2.gz RELOJUYUKIOROA-GOSISDBHSA-N 2 0 341.540 2.506 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235528376 1313345470 /nfs/dbraw/zinc/34/54/70/1313345470.db2.gz QALXNCCSDQCUHK-UHFFFAOYSA-N 2 0 338.499 2.544 20 30 EFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136932 1297237524 /nfs/dbraw/zinc/23/75/24/1297237524.db2.gz PKXNPLXSPRMXLS-MOPGFXCFSA-N 2 0 332.536 2.808 20 30 EFEDRP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136935 1297238471 /nfs/dbraw/zinc/23/84/71/1297238471.db2.gz PKXNPLXSPRMXLS-RTBURBONSA-N 2 0 332.536 2.808 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250965 1314463561 /nfs/dbraw/zinc/46/35/61/1314463561.db2.gz ZBOKMWVHXOXJLO-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001235834121 1313405893 /nfs/dbraw/zinc/40/58/93/1313405893.db2.gz LQFHCGCVCKKTNA-HXUWFJFHSA-N 2 0 348.446 2.997 20 30 EFEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555820 1313412818 /nfs/dbraw/zinc/41/28/18/1313412818.db2.gz VVYUUQFKQMFUTO-QRQLOZEOSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017618245 1313440978 /nfs/dbraw/zinc/44/09/78/1313440978.db2.gz PSLOZWMIEDVJCC-QRVBRYPASA-N 2 0 333.520 2.891 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439790 1298010398 /nfs/dbraw/zinc/01/03/98/1298010398.db2.gz VSZMTNKTGQENPC-OALUTQOASA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206549061 1313474140 /nfs/dbraw/zinc/47/41/40/1313474140.db2.gz UKFQMYONVOZBBI-DLBZAZTESA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548486 1313474412 /nfs/dbraw/zinc/47/44/12/1313474412.db2.gz PXYXBUBGURWEMC-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP CCCCCCC[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236385781 1313475567 /nfs/dbraw/zinc/47/55/67/1313475567.db2.gz GYBTWGKEDMQEKW-UHFFFAOYSA-N 2 0 339.568 2.981 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915365 1313479275 /nfs/dbraw/zinc/47/92/75/1313479275.db2.gz UJROZUWIKQUIMC-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017696321 1313480078 /nfs/dbraw/zinc/48/00/78/1313480078.db2.gz QSQSSTXXYJHFSF-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001206603385 1313482117 /nfs/dbraw/zinc/48/21/17/1313482117.db2.gz NXSBGJFLTVKLGO-UHFFFAOYSA-N 2 0 332.492 2.766 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC000961193897 1298288283 /nfs/dbraw/zinc/28/82/83/1298288283.db2.gz GCROVHRBIIBXBB-ZWKOTPCHSA-N 2 0 344.503 2.673 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197339 1298296457 /nfs/dbraw/zinc/29/64/57/1298296457.db2.gz NOZRLQINPJLQEW-MOPGFXCFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199450 1298304592 /nfs/dbraw/zinc/30/45/92/1298304592.db2.gz KJTIRDQKMQSPHZ-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214009 1298338908 /nfs/dbraw/zinc/33/89/08/1298338908.db2.gz RKORFEOHEYLJJQ-IAGOWNOFSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926417 1313496175 /nfs/dbraw/zinc/49/61/75/1313496175.db2.gz OVXDKVVVIMPRJF-ZWKOTPCHSA-N 2 0 345.487 2.986 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017765669 1313517453 /nfs/dbraw/zinc/51/74/53/1313517453.db2.gz LFCROFSJURKHQS-CEXWTWQISA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961338514 1298576724 /nfs/dbraw/zinc/57/67/24/1298576724.db2.gz FZCYBIPCVNPZJB-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869143 1313530125 /nfs/dbraw/zinc/53/01/25/1313530125.db2.gz UYLHDXIHEGRAMD-FQEVSTJZSA-N 2 0 341.499 2.531 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961376331 1298644486 /nfs/dbraw/zinc/64/44/86/1298644486.db2.gz RYCKUAFBDPZWCD-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376800 1298646359 /nfs/dbraw/zinc/64/63/59/1298646359.db2.gz DHGAEYVPDATVNP-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872908 1313531694 /nfs/dbraw/zinc/53/16/94/1313531694.db2.gz YCHDAWXKMAMYFY-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379134 1298651730 /nfs/dbraw/zinc/65/17/30/1298651730.db2.gz QTHPXBMVCCQEJR-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C[NH+](C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000083031479 1298681321 /nfs/dbraw/zinc/68/13/21/1298681321.db2.gz RUNICASWTCKRQJ-QZTJIDSGSA-N 2 0 344.503 2.925 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395484 1298683409 /nfs/dbraw/zinc/68/34/09/1298683409.db2.gz XSJZIKWOSJFMFC-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961404133 1298697120 /nfs/dbraw/zinc/69/71/20/1298697120.db2.gz XNZMUJYKAXSIGW-VQTJNVASSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)COc1ccccc1CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236912559 1313551036 /nfs/dbraw/zinc/55/10/36/1313551036.db2.gz VZKNVDYJVGMDRM-UHFFFAOYSA-N 2 0 331.504 2.757 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431283 1298739173 /nfs/dbraw/zinc/73/91/73/1298739173.db2.gz JQNXXCHGKXKEEM-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961442502 1298754194 /nfs/dbraw/zinc/75/41/94/1298754194.db2.gz TWQQHWVZWIZCSA-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000305793243 1298867772 /nfs/dbraw/zinc/86/77/72/1298867772.db2.gz MHEGAJJRCSTSTQ-DLBZAZTESA-N 2 0 344.503 2.504 20 30 EFEDRP CC(C)[N@@H+]1CCCC[C@H]1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853674383 1300224721 /nfs/dbraw/zinc/22/47/21/1300224721.db2.gz XKNNZTQNYQNRRV-SFHVURJKSA-N 2 0 332.492 2.648 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237752334 1313701684 /nfs/dbraw/zinc/70/16/84/1313701684.db2.gz URXAUEGNUFCMCZ-UHFFFAOYSA-N 2 0 336.911 2.917 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314266 1300575615 /nfs/dbraw/zinc/57/56/15/1300575615.db2.gz KGHMRRFEPKNNSM-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345247 1300650285 /nfs/dbraw/zinc/65/02/85/1300650285.db2.gz FKULXKZRADWFCV-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360163 1300684425 /nfs/dbraw/zinc/68/44/25/1300684425.db2.gz KYKSOURSPDEPOH-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367373 1300704398 /nfs/dbraw/zinc/70/43/98/1300704398.db2.gz OOKLOAVBTLYJQH-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384580 1300742477 /nfs/dbraw/zinc/74/24/77/1300742477.db2.gz VHAFAMHRZVEINK-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384997 1300743241 /nfs/dbraw/zinc/74/32/41/1300743241.db2.gz YZGZTIBBPISADT-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432059 1300844335 /nfs/dbraw/zinc/84/43/35/1300844335.db2.gz ZTDHGVBVSAHIDI-UXHICEINSA-N 2 0 345.531 2.589 20 30 EFEDRP N#Cc1ccc(CC[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001278167937 1313737116 /nfs/dbraw/zinc/73/71/16/1313737116.db2.gz VFICPHSVQPLYDA-UHFFFAOYSA-N 2 0 349.482 2.812 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000963633403 1301148346 /nfs/dbraw/zinc/14/83/46/1301148346.db2.gz VVIDWDYQUNFWEW-UHFFFAOYSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238067879 1313755222 /nfs/dbraw/zinc/75/52/22/1313755222.db2.gz QUPHDBLOSPNXOI-UHFFFAOYSA-N 2 0 347.478 2.631 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963947006 1301505020 /nfs/dbraw/zinc/50/50/20/1301505020.db2.gz LWFHXMGYAZFMRC-WZXTXQKWSA-N 2 0 333.520 2.842 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000964142014 1301675390 /nfs/dbraw/zinc/67/53/90/1301675390.db2.gz CHGFJAMOQUUVAJ-UHFFFAOYSA-N 2 0 338.455 2.849 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000964154557 1301679224 /nfs/dbraw/zinc/67/92/24/1301679224.db2.gz WXVBPZZRBBOKBJ-ACBHZAAOSA-N 2 0 333.520 2.633 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000964226394 1301702260 /nfs/dbraw/zinc/70/22/60/1301702260.db2.gz OEPPOHKVJLHMLG-UHFFFAOYSA-N 2 0 344.846 2.717 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000964447063 1301846828 /nfs/dbraw/zinc/84/68/28/1301846828.db2.gz GBTLPNITCKDMTM-UHFFFAOYSA-N 2 0 345.487 2.727 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207948766 1313808396 /nfs/dbraw/zinc/80/83/96/1313808396.db2.gz AFAKHLZCXUBUIO-UHFFFAOYSA-N 2 0 331.504 2.812 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000964711247 1302245346 /nfs/dbraw/zinc/24/53/46/1302245346.db2.gz VJRUFNVSWXSLPG-UHFFFAOYSA-N 2 0 331.460 2.548 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114606835 1302317157 /nfs/dbraw/zinc/31/71/57/1302317157.db2.gz IQIZZNTUNLCRNC-FUMNGEBKSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208050247 1313834919 /nfs/dbraw/zinc/83/49/19/1313834919.db2.gz WWFUGMFIOZGHCF-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063526 1313838565 /nfs/dbraw/zinc/83/85/65/1313838565.db2.gz PIDAWMSUAPPTRZ-RTBURBONSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097077726 1313840313 /nfs/dbraw/zinc/84/03/13/1313840313.db2.gz GDOVVEOUABSMCI-OWYHZJEWSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079048 1313841109 /nfs/dbraw/zinc/84/11/09/1313841109.db2.gz GNTVCVTZDNSSQU-NBYUQASBSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)CC1 ZINC001208175125 1313861785 /nfs/dbraw/zinc/86/17/85/1313861785.db2.gz NRNLJGJWVUWLQK-NJDAHSKKSA-N 2 0 348.531 2.958 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000965776473 1303314582 /nfs/dbraw/zinc/31/45/82/1303314582.db2.gz YESALWVCYYPTRY-UHFFFAOYSA-N 2 0 345.531 2.702 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC000965943330 1303478552 /nfs/dbraw/zinc/47/85/52/1303478552.db2.gz OFDMJWLBKWIRHB-UHFFFAOYSA-N 2 0 345.487 2.938 20 30 EFEDRP CCCCCCCCNC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001239307661 1313924048 /nfs/dbraw/zinc/92/40/48/1313924048.db2.gz FXZIWDQTEALQBU-QGZVFWFLSA-N 2 0 326.529 2.672 20 30 EFEDRP CCCCCCCCCNC(=S)NCCC[N@H+](C)CCC[NH3+] ZINC001239376092 1313931242 /nfs/dbraw/zinc/93/12/42/1313931242.db2.gz QJNOSUTWRSLDGM-UHFFFAOYSA-N 2 0 330.586 2.872 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208470597 1313937918 /nfs/dbraw/zinc/93/79/18/1313937918.db2.gz IOSYJQIBSORUCR-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114403030 1303870819 /nfs/dbraw/zinc/87/08/19/1303870819.db2.gz MBUMYSDXHISYSX-VNTMZGSJSA-N 2 0 349.563 2.981 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497477 1313943892 /nfs/dbraw/zinc/94/38/92/1313943892.db2.gz BEGJZCCHQJTNTH-WBVHZDCISA-N 2 0 326.444 2.883 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001037870311 1303906145 /nfs/dbraw/zinc/90/61/45/1303906145.db2.gz REBQWALARNFECC-MAUKXSAKSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001037877914 1304055427 /nfs/dbraw/zinc/05/54/27/1304055427.db2.gz FHZFOQFPCSVFAU-HOTGVXAUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001208600098 1313972568 /nfs/dbraw/zinc/97/25/68/1313972568.db2.gz QBXUNDCHQWUAIO-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114422786 1304305378 /nfs/dbraw/zinc/30/53/78/1304305378.db2.gz IIJHPYQULAWTCL-PNYFIKQUSA-N 2 0 335.536 2.878 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264988 1304775882 /nfs/dbraw/zinc/77/58/82/1304775882.db2.gz RQLLMORHCFPPNX-CRAIPNDOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398387 1314016697 /nfs/dbraw/zinc/01/66/97/1314016697.db2.gz HCPDNPCGWHSICX-LZQZEXGQSA-N 2 0 338.455 2.944 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000869735525 1304943104 /nfs/dbraw/zinc/94/31/04/1304943104.db2.gz VYXQUZYQDPBRSR-HNNXBMFYSA-N 2 0 343.393 2.542 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397858 1304944936 /nfs/dbraw/zinc/94/49/36/1304944936.db2.gz SSKQTHCAYQEZGN-MAUKXSAKSA-N 2 0 326.444 2.741 20 30 EFEDRP C[NH+](C)CCOc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1F ZINC001240360851 1314024982 /nfs/dbraw/zinc/02/49/82/1314024982.db2.gz IYHBAUJTAXROQE-UHFFFAOYSA-N 2 0 339.414 2.992 20 30 EFEDRP N#Cc1cc(-c2ccc(OCC3CC[NH2+]CC3)cn2)cc(C2C[NH2+]C2)c1 ZINC001240346734 1314022653 /nfs/dbraw/zinc/02/26/53/1314022653.db2.gz VUVSPCZRSXFUKD-UHFFFAOYSA-N 2 0 348.450 2.685 20 30 EFEDRP N#Cc1cc(-c2cccc(Cn3cc[nH+]c3N)c2)cc(C2C[NH2+]C2)c1 ZINC001240360252 1314024334 /nfs/dbraw/zinc/02/43/34/1314024334.db2.gz CHSXAQVRFCAJMV-UHFFFAOYSA-N 2 0 329.407 2.739 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097406387 1314038069 /nfs/dbraw/zinc/03/80/69/1314038069.db2.gz YFTSNQHTFAQOOJ-AKHDSKFASA-N 2 0 333.520 2.795 20 30 EFEDRP N#Cc1ccc(CC[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001208920764 1314047376 /nfs/dbraw/zinc/04/73/76/1314047376.db2.gz OXMRMHFIXNTVGV-UHFFFAOYSA-N 2 0 341.499 2.925 20 30 EFEDRP C=CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209203005 1314114910 /nfs/dbraw/zinc/11/49/10/1314114910.db2.gz KDUFKSPCDMIDTF-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525366 1306431123 /nfs/dbraw/zinc/43/11/23/1306431123.db2.gz QGCKNFMVBGVJTQ-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209263406 1314128266 /nfs/dbraw/zinc/12/82/66/1314128266.db2.gz KZOLPZAWPDRMAG-RTWAWAEBSA-N 2 0 330.516 2.860 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681086 1306563509 /nfs/dbraw/zinc/56/35/09/1306563509.db2.gz GQERGRDZTSLJJV-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(CC)CC)CC[C@H]2C)CC1 ZINC000968681891 1306563946 /nfs/dbraw/zinc/56/39/46/1306563946.db2.gz MIDFBNBDVXUIJP-XLIONFOSSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924806 1306575739 /nfs/dbraw/zinc/57/57/39/1306575739.db2.gz JETVMKDHULRPGN-RUYXUALKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044680204 1306712002 /nfs/dbraw/zinc/71/20/02/1306712002.db2.gz DUDSXKXTGQSVRS-ZFWWWQNUSA-N 2 0 332.835 2.670 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887356 1306759891 /nfs/dbraw/zinc/75/98/91/1306759891.db2.gz BRGSMCSTHOWAFG-VQTJNVASSA-N 2 0 345.531 2.778 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001209351279 1314145564 /nfs/dbraw/zinc/14/55/64/1314145564.db2.gz OHWPNJHUUJECRT-LZLYRXPVSA-N 2 0 334.508 2.995 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925358 1306802217 /nfs/dbraw/zinc/80/22/17/1306802217.db2.gz AWUVNCBORLFVGZ-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925969 1306804954 /nfs/dbraw/zinc/80/49/54/1306804954.db2.gz QWHPKLREJNCWLF-KRWDZBQOSA-N 2 0 338.455 2.640 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001044798547 1306810127 /nfs/dbraw/zinc/81/01/27/1306810127.db2.gz CGKCVSBHGASYJO-WBVHZDCISA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955227 1306837164 /nfs/dbraw/zinc/83/71/64/1306837164.db2.gz PHBBGFMDJSKVMJ-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437996 1307338485 /nfs/dbraw/zinc/33/84/85/1307338485.db2.gz IJEPDBOXYSWYQR-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343794 1307380681 /nfs/dbraw/zinc/38/06/81/1307380681.db2.gz OHNOQRCZGPCWPB-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498194 1307472020 /nfs/dbraw/zinc/47/20/20/1307472020.db2.gz ISUVXRXRKJFELU-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007723878 1307569649 /nfs/dbraw/zinc/56/96/49/1307569649.db2.gz RTMWJZUOQBINFF-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938830 1307941438 /nfs/dbraw/zinc/94/14/38/1307941438.db2.gz MCFBYPDSKJCTPC-QKNQBKEWSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939129 1307943024 /nfs/dbraw/zinc/94/30/24/1307943024.db2.gz WDWBIVBDRJJGEJ-QWFCFKBJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939119 1307943342 /nfs/dbraw/zinc/94/33/42/1307943342.db2.gz VXFFYJZHAQOVER-QWFCFKBJSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045941899 1307951463 /nfs/dbraw/zinc/95/14/63/1307951463.db2.gz OMNYTJSUGPCDDM-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942566 1307953881 /nfs/dbraw/zinc/95/38/81/1307953881.db2.gz UQCHSQUAIMKCPA-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943895 1307959369 /nfs/dbraw/zinc/95/93/69/1307959369.db2.gz QVNYANRVSNOEJN-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945554 1307965759 /nfs/dbraw/zinc/96/57/59/1307965759.db2.gz VUBKVFRAZURXSZ-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961266 1308008510 /nfs/dbraw/zinc/00/85/10/1308008510.db2.gz KFEPRGHGCUBAMH-ZJOUEHCJSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961260 1308008763 /nfs/dbraw/zinc/00/87/63/1308008763.db2.gz JYPIRWQAOQMLEQ-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001045967389 1308024876 /nfs/dbraw/zinc/02/48/76/1308024876.db2.gz UACIGFKNDXPGEL-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045967390 1308025074 /nfs/dbraw/zinc/02/50/74/1308025074.db2.gz UACIGFKNDXPGEL-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970117 1308034530 /nfs/dbraw/zinc/03/45/30/1308034530.db2.gz BGQIOKBPLCEKLA-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045973507 1308043418 /nfs/dbraw/zinc/04/34/18/1308043418.db2.gz SCOKBLHBPIUSAM-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001045981793 1308071633 /nfs/dbraw/zinc/07/16/33/1308071633.db2.gz GGTTZCOWFRCJQI-RTWAWAEBSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045985951 1308085553 /nfs/dbraw/zinc/08/55/53/1308085553.db2.gz FLZTYJRTIOEKAC-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986341 1308086639 /nfs/dbraw/zinc/08/66/39/1308086639.db2.gz NWCGSNDJOQXKTN-NRFANRHFSA-N 2 0 345.531 2.590 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133459 1314285825 /nfs/dbraw/zinc/28/58/25/1314285825.db2.gz RIOJPYBOIMRSFH-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864113 1309559735 /nfs/dbraw/zinc/55/97/35/1309559735.db2.gz ONTNIXGKKWJRCI-IBGZPJMESA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046954153 1309758164 /nfs/dbraw/zinc/75/81/64/1309758164.db2.gz QLDVXACVYBVXNO-CVEARBPZSA-N 2 0 343.462 2.510 20 30 EFEDRP N#Cc1ccnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276686721 1314353486 /nfs/dbraw/zinc/35/34/86/1314353486.db2.gz HEHQFUMSZVBBPF-HDICACEKSA-N 2 0 335.455 2.625 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633432 1314364628 /nfs/dbraw/zinc/36/46/28/1314364628.db2.gz CAPKOFKERMNXTR-RBUKOAKNSA-N 2 0 329.488 2.836 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633430 1314364659 /nfs/dbraw/zinc/36/46/59/1314364659.db2.gz CAPKOFKERMNXTR-MOPGFXCFSA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231813 1310369885 /nfs/dbraw/zinc/36/98/85/1310369885.db2.gz QDLTWGSVLLXLGU-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241414 1310391650 /nfs/dbraw/zinc/39/16/50/1310391650.db2.gz POVPBVASCMLIQQ-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047242025 1310393883 /nfs/dbraw/zinc/39/38/83/1310393883.db2.gz AJTWHDJQAGBCFO-UXHICEINSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001047246726 1310406394 /nfs/dbraw/zinc/40/63/94/1310406394.db2.gz WRQGMGAPGCBUEE-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252281 1310420636 /nfs/dbraw/zinc/42/06/36/1310420636.db2.gz AVDMYPWHDDFZNW-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047255619 1310427929 /nfs/dbraw/zinc/42/79/29/1310427929.db2.gz CBAFWYBWXYYFLI-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257028 1310431856 /nfs/dbraw/zinc/43/18/56/1310431856.db2.gz OLXSOUWOQMJTMN-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265379 1310458266 /nfs/dbraw/zinc/45/82/66/1310458266.db2.gz ZBQLHHSEOZOAIR-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266041 1310460811 /nfs/dbraw/zinc/46/08/11/1310460811.db2.gz OQHGJXGPPTYTTQ-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047266500 1310462399 /nfs/dbraw/zinc/46/23/99/1310462399.db2.gz ZJQSGISAEUFSAY-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052836248 1314407031 /nfs/dbraw/zinc/40/70/31/1314407031.db2.gz HKKVTUJKKNWAPO-QGZVFWFLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221713951 1311017440 /nfs/dbraw/zinc/01/74/40/1311017440.db2.gz GTPDKYPYUHUQEP-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793024 1311032424 /nfs/dbraw/zinc/03/24/24/1311032424.db2.gz KHSYTRKIARWQBK-GUDVDZBRSA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001221848236 1311042343 /nfs/dbraw/zinc/04/23/43/1311042343.db2.gz FVSKSHQVVKRXCX-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001222045412 1311074116 /nfs/dbraw/zinc/07/41/16/1311074116.db2.gz JJDBQTAWYGRYFR-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222076686 1311080219 /nfs/dbraw/zinc/08/02/19/1311080219.db2.gz MXHCOBQPIBTCBX-MRXNPFEDSA-N 2 0 327.900 2.586 20 30 EFEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344992 1311088995 /nfs/dbraw/zinc/08/89/95/1311088995.db2.gz SBWBENKCPNLTMF-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547256 1311100797 /nfs/dbraw/zinc/10/07/97/1311100797.db2.gz BRHJOHSPLZXARO-YRPNKDGESA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547361 1311100893 /nfs/dbraw/zinc/10/08/93/1311100893.db2.gz DLXXOOPAUWBPFN-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP C[C@@H](C#N)OCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000801936505 1311126031 /nfs/dbraw/zinc/12/60/31/1311126031.db2.gz UWUFVPUOBFZJNN-SFHVURJKSA-N 2 0 327.472 2.903 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276858094 1311211558 /nfs/dbraw/zinc/21/15/58/1311211558.db2.gz ARPNZOIFUPVIEE-UHFFFAOYSA-N 2 0 340.515 2.716 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287699 1311231865 /nfs/dbraw/zinc/23/18/65/1311231865.db2.gz ZVRNGKGUDKWDOX-SBHAEUEKSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435449 1311241747 /nfs/dbraw/zinc/24/17/47/1311241747.db2.gz PLXAUAVGZNPSBP-NSHGMRRFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001101551661 1311249348 /nfs/dbraw/zinc/24/93/48/1311249348.db2.gz VKRRYCOHNTUXQF-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001101568253 1311250136 /nfs/dbraw/zinc/25/01/36/1311250136.db2.gz VNVAYXNTOZUSGF-UHFFFAOYSA-N 2 0 343.943 2.935 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001223373919 1311252186 /nfs/dbraw/zinc/25/21/86/1311252186.db2.gz GLTVMGKGDLGNOC-AEFFLSMTSA-N 2 0 341.515 2.849 20 30 EFEDRP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001101590376 1311252235 /nfs/dbraw/zinc/25/22/35/1311252235.db2.gz NRZFXQGGLOWIKV-UHFFFAOYSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189945 1311293544 /nfs/dbraw/zinc/29/35/44/1311293544.db2.gz JTCAEBNQBZLDRU-QRQLOZEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223722782 1311296857 /nfs/dbraw/zinc/29/68/57/1311296857.db2.gz WWZZFKZUXNTSME-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290003 1311301142 /nfs/dbraw/zinc/30/11/42/1311301142.db2.gz WYBVPIHKUOELSJ-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001223798678 1311304946 /nfs/dbraw/zinc/30/49/46/1311304946.db2.gz ADWVXUBYOFCBSX-QUCCMNQESA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987887 1311338926 /nfs/dbraw/zinc/33/89/26/1311338926.db2.gz VFWRDSIJANEVRN-QRVBRYPASA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987968 1311339292 /nfs/dbraw/zinc/33/92/92/1311339292.db2.gz YNQROJMIQVQCPM-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001102987886 1311339508 /nfs/dbraw/zinc/33/95/08/1311339508.db2.gz VFWRDSIJANEVRN-GUDVDZBRSA-N 2 0 347.547 2.901 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224140524 1311348903 /nfs/dbraw/zinc/34/89/03/1311348903.db2.gz NZQBXWAOYPCCPH-MOPGFXCFSA-N 2 0 335.536 2.975 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170502 1311354660 /nfs/dbraw/zinc/35/46/60/1311354660.db2.gz ZBMMJEDXZZOALE-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CN(C)Cc3ccccc3)C[C@@H]21 ZINC001224306122 1311373043 /nfs/dbraw/zinc/37/30/43/1311373043.db2.gz CCHCIRHVNMVBJT-UXHICEINSA-N 2 0 341.499 2.617 20 30 EFEDRP CCCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546930 1311405364 /nfs/dbraw/zinc/40/53/64/1311405364.db2.gz SVSJNUXVAGRIJP-IEBWSBKVSA-N 2 0 337.552 2.983 20 30 EFEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872495 1311406781 /nfs/dbraw/zinc/40/67/81/1311406781.db2.gz MKWYYJQTWSZDQC-LJQANCHMSA-N 2 0 333.520 2.589 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224558969 1311407388 /nfs/dbraw/zinc/40/73/88/1311407388.db2.gz KZMZOEJEIDKHAC-GOSISDBHSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224569863 1311408497 /nfs/dbraw/zinc/40/84/97/1311408497.db2.gz QKZMYWWVDMTLRF-QGZVFWFLSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC(=C)C)CC1 ZINC001158913757 1311415178 /nfs/dbraw/zinc/41/51/78/1311415178.db2.gz BCHXRZQKKAUCTR-HXUWFJFHSA-N 2 0 345.531 2.611 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCCCC)CC1 ZINC001158914365 1311415799 /nfs/dbraw/zinc/41/57/99/1311415799.db2.gz OHTMXMLCQFWUJJ-HXUWFJFHSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001225154969 1311484221 /nfs/dbraw/zinc/48/42/21/1311484221.db2.gz LBVSTZUICBAJOL-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578559 1311546984 /nfs/dbraw/zinc/54/69/84/1311546984.db2.gz XHBTZHJFBHSUQZ-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131320 1311650786 /nfs/dbraw/zinc/65/07/86/1311650786.db2.gz LKRGGRWZUFFKKY-MOPGFXCFSA-N 2 0 331.504 2.575 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131470 1311650894 /nfs/dbraw/zinc/65/08/94/1311650894.db2.gz MZQNWQTVGNLFCY-OALUTQOASA-N 2 0 331.504 2.575 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226554984 1311687647 /nfs/dbraw/zinc/68/76/47/1311687647.db2.gz VTBDUHCMQCGNSJ-BRWVUGGUSA-N 2 0 327.488 2.650 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352268 1311695135 /nfs/dbraw/zinc/69/51/35/1311695135.db2.gz FTAQBXLALZHDLB-IBGZPJMESA-N 2 0 333.520 2.679 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352735 1311696431 /nfs/dbraw/zinc/69/64/31/1311696431.db2.gz KLUOILXPMSIDNS-LJQANCHMSA-N 2 0 333.520 2.679 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360410 1311697146 /nfs/dbraw/zinc/69/71/46/1311697146.db2.gz QOAMKKXCVQBGRR-QGZVFWFLSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360409 1311697323 /nfs/dbraw/zinc/69/73/23/1311697323.db2.gz QOAMKKXCVQBGRR-KRWDZBQOSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277151423 1311715162 /nfs/dbraw/zinc/71/51/62/1311715162.db2.gz JYPSMLBVDNNCFI-SFHVURJKSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467250 1311717009 /nfs/dbraw/zinc/71/70/09/1311717009.db2.gz PUBVTIPQGVFYIO-RBUKOAKNSA-N 2 0 331.504 2.718 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559374 1311736617 /nfs/dbraw/zinc/73/66/17/1311736617.db2.gz HETGPCGQNUDHRZ-UHFFFAOYSA-N 2 0 345.531 2.801 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001227216180 1311777569 /nfs/dbraw/zinc/77/75/69/1311777569.db2.gz BAHASAPFFXDCQX-QZTJIDSGSA-N 2 0 326.444 2.849 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787417 1311781417 /nfs/dbraw/zinc/78/14/17/1311781417.db2.gz MSOFVGBRBZZCOX-UHFFFAOYSA-N 2 0 345.531 2.660 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788142 1311781650 /nfs/dbraw/zinc/78/16/50/1311781650.db2.gz YYFOMXXDHSEOBH-IBGZPJMESA-N 2 0 331.504 2.575 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408029 1311803418 /nfs/dbraw/zinc/80/34/18/1311803418.db2.gz DCWMEOKIMFQUMD-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408862 1311804170 /nfs/dbraw/zinc/80/41/70/1311804170.db2.gz ZIXAKGGQZCBXNA-LJQANCHMSA-N 2 0 335.536 2.879 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161007952 1311834675 /nfs/dbraw/zinc/83/46/75/1311834675.db2.gz IBQSKMFWRRIWKO-HKUYNNGSSA-N 2 0 333.520 2.821 20 30 EFEDRP CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277232212 1311840537 /nfs/dbraw/zinc/84/05/37/1311840537.db2.gz WXKSMEUTKLFMAR-YLJYHZDGSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001048531591 1311869481 /nfs/dbraw/zinc/86/94/81/1311869481.db2.gz UCPBSPSHDZGHGA-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048538855 1311879902 /nfs/dbraw/zinc/87/99/02/1311879902.db2.gz DJDODZQATORNRZ-RDGPPVDQSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCCCCC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407678 1311881288 /nfs/dbraw/zinc/88/12/88/1311881288.db2.gz KKQFJUSIQYWIAX-UHFFFAOYSA-N 2 0 332.492 2.750 20 30 EFEDRP CCCCCCC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161413476 1311881998 /nfs/dbraw/zinc/88/19/98/1311881998.db2.gz RYXXXFXRNJFGCM-UHFFFAOYSA-N 2 0 334.508 2.974 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545634 1311888968 /nfs/dbraw/zinc/88/89/68/1311888968.db2.gz GRAPEMGMRITEFG-VBUUOAMHSA-N 2 0 338.455 2.883 20 30 EFEDRP C[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1=CC(=O)CCC1 ZINC001161509684 1311903431 /nfs/dbraw/zinc/90/34/31/1311903431.db2.gz QRJJDBKUPQCXNS-BEFAXECRSA-N 2 0 343.471 2.669 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001048574567 1311923418 /nfs/dbraw/zinc/92/34/18/1311923418.db2.gz JUESFBNYPUWWAN-FNLKRUPLSA-N 2 0 341.499 2.907 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001228441556 1311948207 /nfs/dbraw/zinc/94/82/07/1311948207.db2.gz XRFWGCNOMMNBCW-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161679294 1311949228 /nfs/dbraw/zinc/94/92/28/1311949228.db2.gz YAJYHCSHCXUTKR-HXUWFJFHSA-N 2 0 345.531 2.803 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925000 1312004511 /nfs/dbraw/zinc/00/45/11/1312004511.db2.gz SJZUPXLGEAVBGU-QZTJIDSGSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161946899 1312011223 /nfs/dbraw/zinc/01/12/23/1312011223.db2.gz LAOGOOAZKTVMDD-UHFFFAOYSA-N 2 0 327.472 2.686 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952367 1312012560 /nfs/dbraw/zinc/01/25/60/1312012560.db2.gz HFTBFQYWOMZYDW-HXUWFJFHSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953624 1312012841 /nfs/dbraw/zinc/01/28/41/1312012841.db2.gz YNODSKSOHWEMMJ-LJQANCHMSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CN2CC[NH2+]CC2)cc1 ZINC001162101670 1312048271 /nfs/dbraw/zinc/04/82/71/1312048271.db2.gz DIGPNTDPWUPBKI-FXAWDEMLSA-N 2 0 328.504 2.715 20 30 EFEDRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C#N)c1 ZINC000902792818 1312111890 /nfs/dbraw/zinc/11/18/90/1312111890.db2.gz DMKWAZGRCRMGMI-HXUWFJFHSA-N 2 0 328.504 2.873 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001229724153 1312128405 /nfs/dbraw/zinc/12/84/05/1312128405.db2.gz KGNZWQUJAFJUDD-IAGOWNOFSA-N 2 0 330.476 2.744 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001162807066 1312179963 /nfs/dbraw/zinc/17/99/63/1312179963.db2.gz UNHRRUHHSJREME-HXUWFJFHSA-N 2 0 343.515 2.706 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001162848466 1312189413 /nfs/dbraw/zinc/18/94/13/1312189413.db2.gz JJUUICKCUUNRDO-UHFFFAOYSA-N 2 0 331.504 2.564 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162907102 1312200570 /nfs/dbraw/zinc/20/05/70/1312200570.db2.gz XQFBLLKNVVKXJG-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862125 1312204264 /nfs/dbraw/zinc/20/42/64/1312204264.db2.gz QJKODVUFMNDOPD-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162934934 1312206608 /nfs/dbraw/zinc/20/66/08/1312206608.db2.gz LRTKEFMYAYGFBT-IBGZPJMESA-N 2 0 331.504 2.564 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001230243646 1312209974 /nfs/dbraw/zinc/20/99/74/1312209974.db2.gz TVLUUJAGNSUNHC-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)C)CC1 ZINC001230251802 1312210891 /nfs/dbraw/zinc/21/08/91/1312210891.db2.gz KMBLZJXMZVQCKS-WOJBJXKFSA-N 2 0 347.547 2.785 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC/C=C\CC)CC1 ZINC001230252017 1312210929 /nfs/dbraw/zinc/21/09/29/1312210929.db2.gz WMVPDZZWIGFZEN-SBUVDCAVSA-N 2 0 345.531 2.705 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001230354986 1312227904 /nfs/dbraw/zinc/22/79/04/1312227904.db2.gz OBLTYFDCSHWIPD-UHFFFAOYSA-N 2 0 347.547 2.739 20 30 EFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C)cc1C#C[Si](C)(C)C ZINC001163128149 1312246068 /nfs/dbraw/zinc/24/60/68/1312246068.db2.gz ATDLKHMFUGCICT-UHFFFAOYSA-N 2 0 345.567 2.897 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048911518 1312250476 /nfs/dbraw/zinc/25/04/76/1312250476.db2.gz JYUZFFSCJYKWQL-CALCHBBNSA-N 2 0 338.455 2.613 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571238 1312268075 /nfs/dbraw/zinc/26/80/75/1312268075.db2.gz BXSJYUANUWJGEL-ROUUACIJSA-N 2 0 339.499 2.555 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571236 1312268452 /nfs/dbraw/zinc/26/84/52/1312268452.db2.gz BXSJYUANUWJGEL-QZTJIDSGSA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591715 1312275931 /nfs/dbraw/zinc/27/59/31/1312275931.db2.gz HKUJCBKFZOVIBE-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598691 1312278968 /nfs/dbraw/zinc/27/89/68/1312278968.db2.gz WXJVVZYICTYFNV-WOJBJXKFSA-N 2 0 347.547 2.833 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230617498 1312284863 /nfs/dbraw/zinc/28/48/63/1312284863.db2.gz BHQJHVIBSXFXFB-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230619540 1312287113 /nfs/dbraw/zinc/28/71/13/1312287113.db2.gz ZYQNCGRRAICXNB-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230628014 1312289815 /nfs/dbraw/zinc/28/98/15/1312289815.db2.gz FLRCEUBDVUWTFV-KRWDZBQOSA-N 2 0 341.927 2.782 20 30 EFEDRP CC(C)[N@@H+]1CC[C@@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H](C)C1 ZINC001163358832 1312295387 /nfs/dbraw/zinc/29/53/87/1312295387.db2.gz YKCLWJBAWLXMEK-KBXCAEBGSA-N 2 0 327.476 2.520 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@H](C)C1 ZINC001163358833 1312295843 /nfs/dbraw/zinc/29/58/43/1312295843.db2.gz YKCLWJBAWLXMEK-KDOFPFPSSA-N 2 0 327.476 2.520 20 30 EFEDRP C=CCC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)CC)Cc1cccnc1 ZINC001230789211 1312343709 /nfs/dbraw/zinc/34/37/09/1312343709.db2.gz AEZAVQFINGTXIE-UHFFFAOYSA-N 2 0 346.519 2.696 20 30 EFEDRP C=CC[N@H+](CCCNC(=O)c1ccn2c[nH+]cc2c1)Cc1cccnc1 ZINC001230796756 1312346918 /nfs/dbraw/zinc/34/69/18/1312346918.db2.gz MRUMBBRTRRIMCP-UHFFFAOYSA-N 2 0 349.438 2.537 20 30 EFEDRP C=CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)Cc1cccnc1 ZINC001230800448 1312348796 /nfs/dbraw/zinc/34/87/96/1312348796.db2.gz IXCGMQDKPHSESE-UHFFFAOYSA-N 2 0 349.438 2.537 20 30 EFEDRP C=CCC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230841495 1312366656 /nfs/dbraw/zinc/36/66/56/1312366656.db2.gz SNAFBOQJKKGQOK-LJQANCHMSA-N 2 0 346.519 2.552 20 30 EFEDRP C=CCC[N@@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905343 1312386362 /nfs/dbraw/zinc/38/63/62/1312386362.db2.gz GFXISMNBCTVDJQ-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165541 1312532284 /nfs/dbraw/zinc/53/22/84/1312532284.db2.gz SPXRAVVZFMZTRY-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)n2)CC1 ZINC001165110056 1312569563 /nfs/dbraw/zinc/56/95/63/1312569563.db2.gz BCFCYOWBOMHNTN-SFHVURJKSA-N 2 0 328.460 2.536 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231850965 1312574469 /nfs/dbraw/zinc/57/44/69/1312574469.db2.gz XTZUZWKNJJVDMQ-UHFFFAOYSA-N 2 0 343.515 2.801 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165456037 1312633205 /nfs/dbraw/zinc/63/32/05/1312633205.db2.gz OVECJIHUVIOCMN-MRXNPFEDSA-N 2 0 341.927 2.593 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001211233577 1314460755 /nfs/dbraw/zinc/46/07/55/1314460755.db2.gz IXBVMUISUUDNJT-PXDRNWIDSA-N 2 0 345.531 2.659 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001211234136 1314461187 /nfs/dbraw/zinc/46/11/87/1314461187.db2.gz VHIOBIMCGVMPGC-AZUAARDMSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952011 1314511971 /nfs/dbraw/zinc/51/19/71/1314511971.db2.gz AEGLJKSSCUPWPU-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001245984807 1314558814 /nfs/dbraw/zinc/55/88/14/1314558814.db2.gz PFHRCXQXGGIRLS-OTWHNJEPSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001245990132 1314560408 /nfs/dbraw/zinc/56/04/08/1314560408.db2.gz PDPTTWQNWSMZPB-OTWHNJEPSA-N 2 0 328.541 2.971 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001245990953 1314560743 /nfs/dbraw/zinc/56/07/43/1314560743.db2.gz UCUZFLMGZHHDMR-MOPGFXCFSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245991950 1314561405 /nfs/dbraw/zinc/56/14/05/1314561405.db2.gz WQPHMEDXAZJMNN-FQEVSTJZSA-N 2 0 339.568 2.904 20 30 EFEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246024627 1314568301 /nfs/dbraw/zinc/56/83/01/1314568301.db2.gz PGXFKGCVTUYIFY-SFHVURJKSA-N 2 0 326.525 2.800 20 30 EFEDRP CCCCCCCC[C@H](O)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246061125 1314576890 /nfs/dbraw/zinc/57/68/90/1314576890.db2.gz WYHZQOMJQNMRMG-MOPGFXCFSA-N 2 0 327.557 2.714 20 30 EFEDRP CCCCCCCCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246243069 1314601142 /nfs/dbraw/zinc/60/11/42/1314601142.db2.gz PIUVCAUXUGLVLH-HOTGVXAUSA-N 2 0 327.538 2.590 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030022 1314604138 /nfs/dbraw/zinc/60/41/38/1314604138.db2.gz ZYAZJLJZUVRVFC-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246306804 1314608203 /nfs/dbraw/zinc/60/82/03/1314608203.db2.gz YXPHDUJELVZZHE-QZTJIDSGSA-N 2 0 337.423 2.672 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001246303887 1314608751 /nfs/dbraw/zinc/60/87/51/1314608751.db2.gz JLGOOUKZNDPPSO-INIZCTEOSA-N 2 0 329.444 2.586 20 30 EFEDRP C[C@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444876 1314629755 /nfs/dbraw/zinc/62/97/55/1314629755.db2.gz ZIOJRCLQVXXERG-KNTRFNDTSA-N 3 0 326.488 2.771 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156484 1314640103 /nfs/dbraw/zinc/64/01/03/1314640103.db2.gz NKIAWNMOFNLLHD-JYJNAYRXSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052311 1314640667 /nfs/dbraw/zinc/64/06/67/1314640667.db2.gz UMAINXFRWWVDJL-RBUKOAKNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC001246528716 1314642106 /nfs/dbraw/zinc/64/21/06/1314642106.db2.gz ZYHPRWOOIBMGFP-IAGOWNOFSA-N 2 0 335.492 2.628 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053125 1314642414 /nfs/dbraw/zinc/64/24/14/1314642414.db2.gz YWVJQBJDZMXYSO-OALUTQOASA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001246527721 1314642486 /nfs/dbraw/zinc/64/24/86/1314642486.db2.gz VXLWWKOBEUZUPW-JWTNVVGKSA-N 2 0 347.503 2.770 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)C1 ZINC001246551995 1314646874 /nfs/dbraw/zinc/64/68/74/1314646874.db2.gz UBUVYUZRMXIQDN-NLWGTHIKSA-N 2 0 349.519 2.874 20 30 EFEDRP N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@@](O)(C[NH3+])C3)CC2)cc1 ZINC001246561675 1314649191 /nfs/dbraw/zinc/64/91/91/1314649191.db2.gz SATRLLMSSSOKHG-SOAGJPPSSA-N 2 0 327.472 2.760 20 30 EFEDRP CCCCCCCC[C@H](CC)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246631401 1314661415 /nfs/dbraw/zinc/66/14/15/1314661415.db2.gz XDXVFQTVUGMRFO-PXNSSMCTSA-N 2 0 335.536 2.927 20 30 EFEDRP CCCCCCCCCC[C@@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246821951 1314689758 /nfs/dbraw/zinc/68/97/58/1314689758.db2.gz PUYQVAVINJHOBO-HXUWFJFHSA-N 2 0 340.600 2.990 20 30 EFEDRP CCCCCCCC[C@H](CC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819077 1314689771 /nfs/dbraw/zinc/68/97/71/1314689771.db2.gz GHLKVWXFSOBFEN-IBGZPJMESA-N 2 0 326.573 2.600 20 30 EFEDRP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+]CC[C@@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246854382 1314697498 /nfs/dbraw/zinc/69/74/98/1314697498.db2.gz DOOSWBYMTNMZHC-UWXKBJKWSA-N 2 0 332.488 2.596 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096055 1314707946 /nfs/dbraw/zinc/70/79/46/1314707946.db2.gz OMIOXOUVHHOKTI-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP N#C[C@@H]1C[C@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246945681 1314712099 /nfs/dbraw/zinc/71/20/99/1314712099.db2.gz HXNCUGJCHVDIBX-FUHWJXTLSA-N 2 0 332.879 2.538 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053098956 1314713678 /nfs/dbraw/zinc/71/36/78/1314713678.db2.gz RILRMXBAXYXARF-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100698 1314717606 /nfs/dbraw/zinc/71/76/06/1314717606.db2.gz ITKLOGFBWYUDSU-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666052 1314722775 /nfs/dbraw/zinc/72/27/75/1314722775.db2.gz SBKKFZHXPBTJFQ-FCGDIQPGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103887 1314723462 /nfs/dbraw/zinc/72/34/62/1314723462.db2.gz ARTXYWTZUALHMB-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103882 1314723682 /nfs/dbraw/zinc/72/36/82/1314723682.db2.gz ARTXYWTZUALHMB-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754979 1314735649 /nfs/dbraw/zinc/73/56/49/1314735649.db2.gz NAHNZAWIWAOCCY-FGTMMUONSA-N 2 0 341.515 2.849 20 30 EFEDRP C=CCc1cc(OC)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000038556973 1314871192 /nfs/dbraw/zinc/87/11/92/1314871192.db2.gz CBZOERLHLQVICF-UHFFFAOYSA-N 2 0 339.439 2.847 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778698 1314877252 /nfs/dbraw/zinc/87/72/52/1314877252.db2.gz YARLOGWRBNHIGY-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216174759 1314922637 /nfs/dbraw/zinc/92/26/37/1314922637.db2.gz WFRLTQODFKEXSW-ZHALLVOQSA-N 2 0 335.536 2.898 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327463 1314940203 /nfs/dbraw/zinc/94/02/03/1314940203.db2.gz VJULARPZWLJDCK-MBOZVWFJSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327259 1314940602 /nfs/dbraw/zinc/94/06/02/1314940602.db2.gz PGEIPVVSSJLEJG-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001216837598 1315014006 /nfs/dbraw/zinc/01/40/06/1315014006.db2.gz IYJLUFJFVCOWDS-IEBWSBKVSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846450 1315014134 /nfs/dbraw/zinc/01/41/34/1315014134.db2.gz FUUVHVRFFSGRJA-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP N#C[C@@H]1C[NH2+]C[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833226 1315116082 /nfs/dbraw/zinc/11/60/82/1315116082.db2.gz RMIDCYASVJGKCT-UYAOXDASSA-N 2 0 343.471 2.570 20 30 EFEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218994955 1315269951 /nfs/dbraw/zinc/26/99/51/1315269951.db2.gz BJOUERHQNCZHCP-OALUTQOASA-N 2 0 348.450 2.534 20 30 EFEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996770 1315270549 /nfs/dbraw/zinc/27/05/49/1315270549.db2.gz OEOOVMWGUQVDEN-IEBWSBKVSA-N 2 0 334.423 2.664 20 30 EFEDRP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219482882 1315317181 /nfs/dbraw/zinc/31/71/81/1315317181.db2.gz LRRAPKVFQWMDBV-AWEZNQCLSA-N 2 0 337.927 2.574 20 30 EFEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532631 1315320312 /nfs/dbraw/zinc/32/03/12/1315320312.db2.gz BKHJUOGKHWLKPM-ZQIUZPCESA-N 2 0 329.444 2.537 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054133197 1315343321 /nfs/dbraw/zinc/34/33/21/1315343321.db2.gz XZIYOPOTGWGDEM-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133954 1315344968 /nfs/dbraw/zinc/34/49/68/1315344968.db2.gz QOWIYUOHUDOMCT-PZJWPPBQSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145235 1315363589 /nfs/dbraw/zinc/36/35/89/1315363589.db2.gz NKBUBHZQCDDBMR-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148849 1315369960 /nfs/dbraw/zinc/36/99/60/1315369960.db2.gz XKGCPVLXHJYNEZ-FUHWJXTLSA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054158692 1315385939 /nfs/dbraw/zinc/38/59/39/1315385939.db2.gz ACSWNYPNHUCRLY-IBGZPJMESA-N 2 0 331.504 2.505 20 30 EFEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429553 1315412064 /nfs/dbraw/zinc/41/20/64/1315412064.db2.gz UQIXDDMCRKTXRR-ZGXWSNOMSA-N 2 0 341.499 2.697 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252135656 1315417607 /nfs/dbraw/zinc/41/76/07/1315417607.db2.gz HEPPJZWRBXIONV-SFHVURJKSA-N 2 0 327.557 2.714 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054197471 1315441263 /nfs/dbraw/zinc/44/12/63/1315441263.db2.gz CECLITWFKSBFKL-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197345 1315441707 /nfs/dbraw/zinc/44/17/07/1315441707.db2.gz WJUWNCLFCJRGKW-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054197795 1315442196 /nfs/dbraw/zinc/44/21/96/1315442196.db2.gz ISFWJCHAJTUHSN-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001220868805 1315458119 /nfs/dbraw/zinc/45/81/19/1315458119.db2.gz VBDOFEHKTZPUCC-OTWHNJEPSA-N 2 0 327.472 2.636 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209117 1315458903 /nfs/dbraw/zinc/45/89/03/1315458903.db2.gz JPWBEWBIDSWWFU-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209720 1315461455 /nfs/dbraw/zinc/46/14/55/1315461455.db2.gz WDNIRJAVHTWBTR-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001252593546 1315472025 /nfs/dbraw/zinc/47/20/25/1315472025.db2.gz JNMMTSHYLOOOOR-KRWDZBQOSA-N 2 0 325.456 2.992 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227257 1315486060 /nfs/dbraw/zinc/48/60/60/1315486060.db2.gz FZLDUEVDVFAOTO-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132250 1315514273 /nfs/dbraw/zinc/51/42/73/1315514273.db2.gz GJUPRYSPSSBHIL-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054244406 1315514661 /nfs/dbraw/zinc/51/46/61/1315514661.db2.gz FCYPBDRIVNCQMR-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054244401 1315515347 /nfs/dbraw/zinc/51/53/47/1315515347.db2.gz FCYPBDRIVNCQMR-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001054244403 1315515408 /nfs/dbraw/zinc/51/54/08/1315515408.db2.gz FCYPBDRIVNCQMR-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039132929 1315515693 /nfs/dbraw/zinc/51/56/93/1315515693.db2.gz DCDXXXUIMYXCDC-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245538 1315516440 /nfs/dbraw/zinc/51/64/40/1315516440.db2.gz VEVFAZJIECTRMT-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039134426 1315518327 /nfs/dbraw/zinc/51/83/27/1315518327.db2.gz ZIGBBJQNEUZXAY-MISYRCLQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039134427 1315518438 /nfs/dbraw/zinc/51/84/38/1315518438.db2.gz ZIGBBJQNEUZXAY-YZGWKJHDSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039136406 1315521882 /nfs/dbraw/zinc/52/18/82/1315521882.db2.gz JOUXJMZUDLUXAG-WOJBJXKFSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221560782 1315552347 /nfs/dbraw/zinc/55/23/47/1315552347.db2.gz HSPSHQXQGUWNOS-IYWMVGAKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156554 1315552708 /nfs/dbraw/zinc/55/27/08/1315552708.db2.gz RKRRTARSXUWREU-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616131 1315563087 /nfs/dbraw/zinc/56/30/87/1315563087.db2.gz FPJISIRHEJSHHN-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167184 1315568592 /nfs/dbraw/zinc/56/85/92/1315568592.db2.gz NTKNFUOACGMEFU-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167665 1315568750 /nfs/dbraw/zinc/56/87/50/1315568750.db2.gz ZTBLHFXOVRTBEG-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646474 1315569256 /nfs/dbraw/zinc/56/92/56/1315569256.db2.gz CGFOYQAJZRBZAZ-CEXWTWQISA-N 2 0 335.536 2.974 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173940 1315578551 /nfs/dbraw/zinc/57/85/51/1315578551.db2.gz IWIXQGCYPJDKRM-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173941 1315578917 /nfs/dbraw/zinc/57/89/17/1315578917.db2.gz IWIXQGCYPJDKRM-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179615 1315586881 /nfs/dbraw/zinc/58/68/81/1315586881.db2.gz BXDQUBFWEITQQX-OALUTQOASA-N 2 0 335.536 2.709 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181997 1315589106 /nfs/dbraw/zinc/58/91/06/1315589106.db2.gz GXBNUNQSFBESGC-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219338 1315639563 /nfs/dbraw/zinc/63/95/63/1315639563.db2.gz SHGLUONULKPCFD-IEBWSBKVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278747242 1315650670 /nfs/dbraw/zinc/65/06/70/1315650670.db2.gz JGJVOKKMUXVAHT-HZPDHXFCSA-N 2 0 345.478 2.612 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236299 1315660652 /nfs/dbraw/zinc/66/06/52/1315660652.db2.gz YPGQSMUWVNHXCK-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236351 1315660828 /nfs/dbraw/zinc/66/08/28/1315660828.db2.gz ZHUKSVDNPOBZNE-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236863 1315661693 /nfs/dbraw/zinc/66/16/93/1315661693.db2.gz FVVJWAXJRJOLBO-SJLPKXTDSA-N 2 0 330.476 2.621 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239932 1315666890 /nfs/dbraw/zinc/66/68/90/1315666890.db2.gz SKJFMQDKACPBSS-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP N#C[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254038459 1315667513 /nfs/dbraw/zinc/66/75/13/1315667513.db2.gz IKRYVGNAFDXSIS-GOSISDBHSA-N 2 0 327.472 2.639 20 30 EFEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254049913 1315669124 /nfs/dbraw/zinc/66/91/24/1315669124.db2.gz SCWKIXDSWJWAQO-IZAXUBKRSA-N 2 0 327.472 2.685 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243835 1315672512 /nfs/dbraw/zinc/67/25/12/1315672512.db2.gz WMCSSRCCGQXAKK-SJORKVTESA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247381 1315677686 /nfs/dbraw/zinc/67/76/86/1315677686.db2.gz VYTKISGCQJBVQP-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001039278382 1315698776 /nfs/dbraw/zinc/69/87/76/1315698776.db2.gz GAHGIJCEFCSNEA-XVLXNVKGSA-N 2 0 333.520 2.939 20 30 EFEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001254501028 1315710494 /nfs/dbraw/zinc/71/04/94/1315710494.db2.gz PABQZWQUCFYVOR-LJQANCHMSA-N 2 0 326.488 2.597 20 30 EFEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001254507648 1315711827 /nfs/dbraw/zinc/71/18/27/1315711827.db2.gz DWHZORDONLBRBH-LJQANCHMSA-N 2 0 326.488 2.597 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)CC1 ZINC001254515915 1315712632 /nfs/dbraw/zinc/71/26/32/1315712632.db2.gz GKRLGIXVWBKMPK-SFHVURJKSA-N 2 0 349.519 2.971 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[NH+](C)CC1)[C@@H]2CC ZINC001254517705 1315714072 /nfs/dbraw/zinc/71/40/72/1315714072.db2.gz JELBEXQNWXEFFE-NSHGMRRFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517253 1315714441 /nfs/dbraw/zinc/71/44/41/1315714441.db2.gz SQCCTHDDOBNMJJ-HKUYNNGSSA-N 2 0 335.492 2.581 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001001522410 1315735339 /nfs/dbraw/zinc/73/53/39/1315735339.db2.gz MTUYUZMMXMQTEI-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392448 1315759705 /nfs/dbraw/zinc/75/97/05/1315759705.db2.gz QPVAUHIVWBIOKE-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397690 1315764028 /nfs/dbraw/zinc/76/40/28/1315764028.db2.gz VBQUEPCXGHDHJH-MOPGFXCFSA-N 2 0 345.531 2.728 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039423942 1315782641 /nfs/dbraw/zinc/78/26/41/1315782641.db2.gz UGBXLCOPENZWGG-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448012 1315797611 /nfs/dbraw/zinc/79/76/11/1315797611.db2.gz QVICJWNXZSFPDL-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474714 1315817229 /nfs/dbraw/zinc/81/72/29/1315817229.db2.gz WHILASVRSRRKSP-MSOLQXFVSA-N 2 0 327.472 2.613 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474781 1315817818 /nfs/dbraw/zinc/81/78/18/1315817818.db2.gz ZWJKDHLOUFLWGL-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052427865 1315945608 /nfs/dbraw/zinc/94/56/08/1315945608.db2.gz BWXHJSXQJMPGIV-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052427864 1315945977 /nfs/dbraw/zinc/94/59/77/1315945977.db2.gz BWXHJSXQJMPGIV-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537892 1315953982 /nfs/dbraw/zinc/95/39/82/1315953982.db2.gz QQQFYQHJEXZBML-HKUYNNGSSA-N 2 0 326.488 2.617 20 30 EFEDRP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537895 1315954668 /nfs/dbraw/zinc/95/46/68/1315954668.db2.gz QQQFYQHJEXZBML-IEBWSBKVSA-N 2 0 326.488 2.617 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256621736 1315970218 /nfs/dbraw/zinc/97/02/18/1315970218.db2.gz BDMZKVOBGSISLG-WMWLNJEOSA-N 2 0 331.504 2.645 20 30 EFEDRP N#Cc1ccc(C2([NH2+]C3CCC([NH+]4CCOCC4)CC3)CC2)cc1 ZINC001256686941 1315981520 /nfs/dbraw/zinc/98/15/20/1315981520.db2.gz WRRGEJWNRFLMGR-UHFFFAOYSA-N 2 0 325.456 2.780 20 30 EFEDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256967112 1316015869 /nfs/dbraw/zinc/01/58/69/1316015869.db2.gz VDTFSWLWUFGEDC-RDVQEIBISA-N 2 0 331.504 2.749 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202102 1316140386 /nfs/dbraw/zinc/14/03/86/1316140386.db2.gz PRIGENCCCRXKSO-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP COC(=O)CC[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258360457 1316143077 /nfs/dbraw/zinc/14/30/77/1316143077.db2.gz DSDCHMAIBHFWFA-ATZDWAIDSA-N 2 0 343.471 2.972 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240775 1316160275 /nfs/dbraw/zinc/16/02/75/1316160275.db2.gz JJKHJEBFHNZCOW-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259411 1316170101 /nfs/dbraw/zinc/17/01/01/1316170101.db2.gz VCKZQDBPDSFMIG-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258725645 1316173704 /nfs/dbraw/zinc/17/37/04/1316173704.db2.gz AIYUBNMSGBODOX-RNQOJCNYSA-N 2 0 343.519 2.808 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295609 1316189423 /nfs/dbraw/zinc/18/94/23/1316189423.db2.gz GMAATUJKMCZFLF-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C2 ZINC001258898666 1316190461 /nfs/dbraw/zinc/19/04/61/1316190461.db2.gz OLVYAZKOFYJQLQ-HKUYNNGSSA-N 2 0 345.531 2.992 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347648 1316213818 /nfs/dbraw/zinc/21/38/18/1316213818.db2.gz LRKLBLRCVLLGMM-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430814 1316260266 /nfs/dbraw/zinc/26/02/66/1316260266.db2.gz CQZAVPKJJKRCDZ-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430893 1316260711 /nfs/dbraw/zinc/26/07/11/1316260711.db2.gz DKRXIQJLFZTSNN-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432990 1316262873 /nfs/dbraw/zinc/26/28/73/1316262873.db2.gz QVKICAIDKCMJTM-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465524 1316281017 /nfs/dbraw/zinc/28/10/17/1316281017.db2.gz ZNUONEQQCBMHQT-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480607 1316287108 /nfs/dbraw/zinc/28/71/08/1316287108.db2.gz UWWQUHVMSCEMLC-HXUWFJFHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545378 1316316973 /nfs/dbraw/zinc/31/69/73/1316316973.db2.gz ONKSLGXIBSADDE-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545956 1316317657 /nfs/dbraw/zinc/31/76/57/1316317657.db2.gz ZMSZRIRGRFYPDM-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001040727931 1316361485 /nfs/dbraw/zinc/36/14/85/1316361485.db2.gz VSXZJZCDKQEGAN-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040756860 1316368684 /nfs/dbraw/zinc/36/86/84/1316368684.db2.gz JOCFCRJABHBTFC-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001040848254 1316388602 /nfs/dbraw/zinc/38/86/02/1316388602.db2.gz GYIGCGOUYUMQET-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849280 1316388893 /nfs/dbraw/zinc/38/88/93/1316388893.db2.gz PFNXNIBHVDBWCZ-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040874141 1316393891 /nfs/dbraw/zinc/39/38/91/1316393891.db2.gz DEVBOPNAFZIONY-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875134 1316395026 /nfs/dbraw/zinc/39/50/26/1316395026.db2.gz SHJBDLZXLFFNGC-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001040953583 1316410289 /nfs/dbraw/zinc/41/02/89/1316410289.db2.gz PQXLBHFCHIRGSF-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001072738098 1316410784 /nfs/dbraw/zinc/41/07/84/1316410784.db2.gz FRUACDSOAKFAKD-SFHVURJKSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041328263 1316516182 /nfs/dbraw/zinc/51/61/82/1316516182.db2.gz SXSNPSCDAXXTDW-SFHVURJKSA-N 2 0 333.501 2.534 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336361 1316518502 /nfs/dbraw/zinc/51/85/02/1316518502.db2.gz OKUPZVPSESFECC-LJQANCHMSA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339573 1316520306 /nfs/dbraw/zinc/52/03/06/1316520306.db2.gz PTEWJHLHTRZCME-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041424369 1316548769 /nfs/dbraw/zinc/54/87/69/1316548769.db2.gz ZRVPPPCBTBSYKH-HXUWFJFHSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)C1 ZINC001041665526 1316641045 /nfs/dbraw/zinc/64/10/45/1316641045.db2.gz UDGPFNJRYNLUHZ-OXJNMPFZSA-N 2 0 342.487 2.720 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667408 1316641901 /nfs/dbraw/zinc/64/19/01/1316641901.db2.gz DLRRJNLLJZEJCW-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724851 1316667544 /nfs/dbraw/zinc/66/75/44/1316667544.db2.gz GMMIZMXLTBDBTM-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042114838 1316887923 /nfs/dbraw/zinc/88/79/23/1316887923.db2.gz OZOMROIZRYMPGX-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125504 1316897099 /nfs/dbraw/zinc/89/70/99/1316897099.db2.gz UZYNDCSGNXVXRB-PKOBYXMFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001042162163 1316921885 /nfs/dbraw/zinc/92/18/85/1316921885.db2.gz GRPLJAXHENWDBY-QUCCMNQESA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186186 1316940291 /nfs/dbraw/zinc/94/02/91/1316940291.db2.gz DRYMYKSFZBRYNY-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234169 1316998238 /nfs/dbraw/zinc/99/82/38/1316998238.db2.gz KPNBTDWNWSJPDC-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234170 1316998301 /nfs/dbraw/zinc/99/83/01/1316998301.db2.gz KPNBTDWNWSJPDC-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288703 1317096084 /nfs/dbraw/zinc/09/60/84/1317096084.db2.gz UVBUVSOZWHPIJE-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296976 1317108972 /nfs/dbraw/zinc/10/89/72/1317108972.db2.gz KDOQLPVWHOWPAV-HKUYNNGSSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042307891 1317128828 /nfs/dbraw/zinc/12/88/28/1317128828.db2.gz QEHBEYCSXVQXJV-UYAOXDASSA-N 2 0 345.531 2.607 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)cc1C#N ZINC001279177569 1317204738 /nfs/dbraw/zinc/20/47/38/1317204738.db2.gz KGKQGVJAYLLHBL-UHFFFAOYSA-N 2 0 349.482 2.780 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042363987 1317215920 /nfs/dbraw/zinc/21/59/20/1317215920.db2.gz BBLYKUCOBPVDMC-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042363984 1317216226 /nfs/dbraw/zinc/21/62/26/1317216226.db2.gz BBLYKUCOBPVDMC-AZUAARDMSA-N 2 0 341.499 2.861 20 30 EFEDRP C#Cc1cccc(C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279301720 1317230715 /nfs/dbraw/zinc/23/07/15/1317230715.db2.gz MGEXPCZVDTZXEE-UHFFFAOYSA-N 2 0 348.494 2.853 20 30 EFEDRP Cc1cc(C#N)ccc1C[N@@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001279696661 1317364761 /nfs/dbraw/zinc/36/47/61/1317364761.db2.gz DHODCDVVGGYSNO-UHFFFAOYSA-N 2 0 349.482 2.661 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279696876 1317365507 /nfs/dbraw/zinc/36/55/07/1317365507.db2.gz JMZTYBCZQAXBAC-UHFFFAOYSA-N 2 0 349.482 2.661 20 30 EFEDRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001492112581 1324216354 /nfs/dbraw/zinc/21/63/54/1324216354.db2.gz DIOKTFAUMCZSNA-MAUKXSAKSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001324225022 1329609330 /nfs/dbraw/zinc/60/93/30/1329609330.db2.gz GJLOJCGDTJWESY-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001341072300 1332231693 /nfs/dbraw/zinc/23/16/93/1332231693.db2.gz OIMROIRRZCRGBW-RBUKOAKNSA-N 2 0 345.487 2.632 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570367 1332268854 /nfs/dbraw/zinc/26/88/54/1332268854.db2.gz XNGYHBFJNXDEHR-RTBURBONSA-N 2 0 329.488 2.698 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341616449 1332271251 /nfs/dbraw/zinc/27/12/51/1332271251.db2.gz YTTUIMMSEKGXRG-NZSAHSFTSA-N 2 0 329.488 2.697 20 30 EFEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972230 1332890935 /nfs/dbraw/zinc/89/09/35/1332890935.db2.gz IAIIUQDJIRUWKI-SFHVURJKSA-N 2 0 342.487 2.844 20 30 EFEDRP C=CCn1c([C@@H]2CCCCN2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001351614958 1333257047 /nfs/dbraw/zinc/25/70/47/1333257047.db2.gz CAQWYECEOPGBDZ-KRWDZBQOSA-N 2 0 346.523 2.541 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001679541 1333369200 /nfs/dbraw/zinc/36/92/00/1333369200.db2.gz FRCMPFXURZWQHQ-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=CCCC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537256 1334238007 /nfs/dbraw/zinc/23/80/07/1334238007.db2.gz MZUGKDFSMKOPNR-UHFFFAOYSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001100602109 1334382267 /nfs/dbraw/zinc/38/22/67/1334382267.db2.gz TYXRXAKZJNSRKT-FAFZWHIHSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234592 1337468198 /nfs/dbraw/zinc/46/81/98/1337468198.db2.gz XDAOOTLPEPIBDR-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001367128776 1338417671 /nfs/dbraw/zinc/41/76/71/1338417671.db2.gz RHHMWADRTKGTDR-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001367183503 1338485906 /nfs/dbraw/zinc/48/59/06/1338485906.db2.gz RRVYYMNXAKOUID-SFHVURJKSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001368347115 1339309485 /nfs/dbraw/zinc/30/94/85/1339309485.db2.gz KLICKQBZRPPIHV-WKILWMFISA-N 2 0 341.927 2.735 20 30 EFEDRP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001368735603 1339655862 /nfs/dbraw/zinc/65/58/62/1339655862.db2.gz AFLSDJYPIARGDX-INIZCTEOSA-N 2 0 344.503 2.521 20 30 EFEDRP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001368735654 1339656329 /nfs/dbraw/zinc/65/63/29/1339656329.db2.gz BKCOSNCUSZRCMV-INIZCTEOSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368769666 1339694185 /nfs/dbraw/zinc/69/41/85/1339694185.db2.gz GTYVSSXJHREGJI-KRWDZBQOSA-N 2 0 343.943 2.886 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001376380151 1343533347 /nfs/dbraw/zinc/53/33/47/1343533347.db2.gz JTAAJUAKSAXLOZ-QBPKDAKJSA-N 2 0 341.927 2.591 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001376614817 1343721691 /nfs/dbraw/zinc/72/16/91/1343721691.db2.gz CLLIGHXVPFTPKM-HOTGVXAUSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001376820343 1343872088 /nfs/dbraw/zinc/87/20/88/1343872088.db2.gz SPNWTKAUBOQYCL-UHFFFAOYSA-N 2 0 327.900 2.634 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001376937636 1343969835 /nfs/dbraw/zinc/96/98/35/1343969835.db2.gz FOHVBWSNCRRVPP-QGZVFWFLSA-N 2 0 349.906 2.595 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001378458966 1345095221 /nfs/dbraw/zinc/09/52/21/1345095221.db2.gz AOPSABRVPHFIOX-UHFFFAOYSA-N 2 0 335.879 2.629 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001378493061 1345122357 /nfs/dbraw/zinc/12/23/57/1345122357.db2.gz HALYRKAMTPMKDS-QGZVFWFLSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001378911798 1345417088 /nfs/dbraw/zinc/41/70/88/1345417088.db2.gz DZQICZSZVQPKNB-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001379696911 1347266508 /nfs/dbraw/zinc/26/65/08/1347266508.db2.gz RDXJVYSIDPXZSE-DOTOQJQBSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001379799435 1347348003 /nfs/dbraw/zinc/34/80/03/1347348003.db2.gz AJWJPLBSSMTTLV-IRXDYDNUSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001380786670 1347878186 /nfs/dbraw/zinc/87/81/86/1347878186.db2.gz ZWEYHXWSFQVTRR-RHSMWYFYSA-N 2 0 335.879 2.800 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001392022326 1355721919 /nfs/dbraw/zinc/72/19/19/1355721919.db2.gz JWBCFOIEZOSNDN-UHFFFAOYSA-N 2 0 327.900 2.634 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197651 1355853860 /nfs/dbraw/zinc/85/38/60/1355853860.db2.gz RDRJTBUEJNQYHF-GOEBONIOSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197661 1355854456 /nfs/dbraw/zinc/85/44/56/1355854456.db2.gz RDRJTBUEJNQYHF-ZBFHGGJFSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001437060707 1387390943 /nfs/dbraw/zinc/39/09/43/1387390943.db2.gz SOMDBXJINRVAGX-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001401083980 1362428138 /nfs/dbraw/zinc/42/81/38/1362428138.db2.gz WSAYRDTWGPPLQR-LJQANCHMSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001401232914 1362570707 /nfs/dbraw/zinc/57/07/07/1362570707.db2.gz KYLLTKXMSDOKLV-HNNXBMFYSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001401297677 1362644249 /nfs/dbraw/zinc/64/42/49/1362644249.db2.gz PFFXUMZXNOPRAQ-HZPDHXFCSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001402064566 1363371477 /nfs/dbraw/zinc/37/14/77/1363371477.db2.gz ZMHNBNLPQNORTN-HUUCEWRRSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001402690759 1363937527 /nfs/dbraw/zinc/93/75/27/1363937527.db2.gz JTWNUIVUZXZVTM-OAHLLOKOSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001402690755 1363937754 /nfs/dbraw/zinc/93/77/54/1363937754.db2.gz JTWNUIVUZXZVTM-HNNXBMFYSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771019 1364019353 /nfs/dbraw/zinc/01/93/53/1364019353.db2.gz CTPNUOZDVSKTFI-RDJZCZTQSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001406173849 1367367182 /nfs/dbraw/zinc/36/71/82/1367367182.db2.gz CNOLKABUCIQRLY-IRXDYDNUSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001417813020 1373284312 /nfs/dbraw/zinc/28/43/12/1373284312.db2.gz NJMSUIXJPSEIHU-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001437992396 1388303961 /nfs/dbraw/zinc/30/39/61/1388303961.db2.gz ASJPERMUSWUVGS-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001418841205 1374564000 /nfs/dbraw/zinc/56/40/00/1374564000.db2.gz AJIAUYDBXCSQBC-OAHLLOKOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001419228096 1374974413 /nfs/dbraw/zinc/97/44/13/1374974413.db2.gz WGTYUDHWBKBIGP-OAHLLOKOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001419556588 1375446823 /nfs/dbraw/zinc/44/68/23/1375446823.db2.gz BOLLCUKOPWTAKS-MRXNPFEDSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001420753766 1377600656 /nfs/dbraw/zinc/60/06/56/1377600656.db2.gz BYYKGNYZHWPUJN-HOCLYGCPSA-N 2 0 329.916 2.542 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001422031112 1379515765 /nfs/dbraw/zinc/51/57/65/1379515765.db2.gz PEHVBDXJOLATMP-DOTOQJQBSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001422100384 1379610519 /nfs/dbraw/zinc/61/05/19/1379610519.db2.gz LQHKKADCSVTEKV-MRXNPFEDSA-N 2 0 334.851 2.739 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247752 1379854948 /nfs/dbraw/zinc/85/49/48/1379854948.db2.gz WPPJUQKZNBNXHH-IAGOWNOFSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247761 1379855555 /nfs/dbraw/zinc/85/55/55/1379855555.db2.gz WPPJUQKZNBNXHH-SJORKVTESA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001422660051 1380520780 /nfs/dbraw/zinc/52/07/80/1380520780.db2.gz DMUUWBGGGMSXMR-OAHLLOKOSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001423409074 1381917862 /nfs/dbraw/zinc/91/78/62/1381917862.db2.gz LCINGTQAZLGUGH-GJZGRUSLSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001440887979 1389979963 /nfs/dbraw/zinc/97/99/63/1389979963.db2.gz FXEGUTZHPMMUEC-UHFFFAOYSA-N 2 0 329.916 2.689 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001496071196 1400453990 /nfs/dbraw/zinc/45/39/90/1400453990.db2.gz QBUQKSHGGYSPAJ-LBPRGKRZSA-N 2 0 329.897 2.612 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001508035568 1407256307 /nfs/dbraw/zinc/25/63/07/1407256307.db2.gz MLDJUSHSONWRJM-HNNXBMFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567100612 1415933299 /nfs/dbraw/zinc/93/32/99/1415933299.db2.gz RBUGTLHCQFMFTH-MJGOQNOKSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001567240559 1416007477 /nfs/dbraw/zinc/00/74/77/1416007477.db2.gz KSMVOKBBUQZCHI-SFHVURJKSA-N 2 0 345.531 2.707 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)C)CC1 ZINC001725031541 1425241033 /nfs/dbraw/zinc/24/10/33/1425241033.db2.gz QHRFRLYKFRRURK-FQEVSTJZSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC=C(C)C)CC1 ZINC000969155631 712942166 /nfs/dbraw/zinc/94/21/66/712942166.db2.gz CKEPNJJNVLFTTF-FQEVSTJZSA-N 2 0 345.531 2.659 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723200 717892226 /nfs/dbraw/zinc/89/22/26/717892226.db2.gz SMLADAYKYBRQTB-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679596 713214304 /nfs/dbraw/zinc/21/43/04/713214304.db2.gz HAJHYDBRRAJEIF-IAGOWNOFSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000969783394 713261120 /nfs/dbraw/zinc/26/11/20/713261120.db2.gz SKMSJRSGRYMRRR-AWEZNQCLSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980214281 717926940 /nfs/dbraw/zinc/92/69/40/717926940.db2.gz FASOLDHIAIBBDT-IPMKNSEASA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039238033 714137007 /nfs/dbraw/zinc/13/70/07/714137007.db2.gz JZQAOYICYPFEQU-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)CN1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607870 714169578 /nfs/dbraw/zinc/16/95/78/714169578.db2.gz YBVAEOSTYBCPSI-NVXWUHKLSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621962 714191459 /nfs/dbraw/zinc/19/14/59/714191459.db2.gz GAPMGAYPXPIVLG-PKOBYXMFSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666117 714264791 /nfs/dbraw/zinc/26/47/91/714264791.db2.gz PHTDXKLMDSIFSX-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669954 714271463 /nfs/dbraw/zinc/27/14/63/714271463.db2.gz IYUICCCBCOPWKE-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691663 714314904 /nfs/dbraw/zinc/31/49/04/714314904.db2.gz QMRMXVCTDVRCAD-UXHICEINSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701466 714335526 /nfs/dbraw/zinc/33/55/26/714335526.db2.gz ZBKXAQVZFJUZJK-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707648 714345047 /nfs/dbraw/zinc/34/50/47/714345047.db2.gz WRYLEQREZXYURC-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738505 714398945 /nfs/dbraw/zinc/39/89/45/714398945.db2.gz BQRMJCCWJMCWPZ-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000160682772 714415696 /nfs/dbraw/zinc/41/56/96/714415696.db2.gz VCJBFVDMYKFKKI-LBPRGKRZSA-N 2 0 330.354 2.652 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542132 714701017 /nfs/dbraw/zinc/70/10/17/714701017.db2.gz ZIZVAJMEYFGGJP-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022081789 714734867 /nfs/dbraw/zinc/73/48/67/714734867.db2.gz NKIAWNMOFNLLHD-OAGGEKHMSA-N 2 0 339.911 2.630 20 30 EFEDRP CC[NH+](CC)CCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000083029661 714878680 /nfs/dbraw/zinc/87/86/80/714878680.db2.gz MINRLSLGBAZNKP-UHFFFAOYSA-N 2 0 346.397 2.721 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000891865131 715075214 /nfs/dbraw/zinc/07/52/14/715075214.db2.gz XIHILMYAFAPURY-UHFFFAOYSA-N 2 0 340.471 2.551 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001022588482 715237008 /nfs/dbraw/zinc/23/70/08/715237008.db2.gz JAZXEHVIMGRTTO-UXLLHSPISA-N 2 0 339.911 2.773 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000104160951 715254380 /nfs/dbraw/zinc/25/43/80/715254380.db2.gz DQQKIJNLOVWTQX-MRXNPFEDSA-N 2 0 334.464 2.551 20 30 EFEDRP CC#CCN1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945259 715366768 /nfs/dbraw/zinc/36/67/68/715366768.db2.gz KAIQEADTSHHKBZ-MOPGFXCFSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947199 715369674 /nfs/dbraw/zinc/36/96/74/715369674.db2.gz NRAZBWQICYSRHZ-RTBURBONSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038990 715444351 /nfs/dbraw/zinc/44/43/51/715444351.db2.gz MHJFTGMIGNLVJZ-DNVCBOLYSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029470 715453667 /nfs/dbraw/zinc/45/36/67/715453667.db2.gz BIPPUMBLSMGKGX-KXBFYZLASA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001027410860 715703394 /nfs/dbraw/zinc/70/33/94/715703394.db2.gz HVLKUCNNEYXQCQ-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411173 715705062 /nfs/dbraw/zinc/70/50/62/715705062.db2.gz NQVUVCXZNBHWAW-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443420 715817330 /nfs/dbraw/zinc/81/73/30/715817330.db2.gz LSOLQHUPCCVBFW-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977430705 716214565 /nfs/dbraw/zinc/21/45/65/716214565.db2.gz TUSTYTVKCURVRF-GOSISDBHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646330 716313008 /nfs/dbraw/zinc/31/30/08/716313008.db2.gz FKUUKVISETXPOP-FPOVZHCZSA-N 2 0 343.515 2.962 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977621847 716422238 /nfs/dbraw/zinc/42/22/38/716422238.db2.gz JLYDMRLQSYTGRP-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622096 716422466 /nfs/dbraw/zinc/42/24/66/716422466.db2.gz NYUJNVOKNCFLLX-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414104 716439321 /nfs/dbraw/zinc/43/93/21/716439321.db2.gz MTZLCFIBZPPZJW-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978842036 716489895 /nfs/dbraw/zinc/48/98/95/716489895.db2.gz BMJICMALHKBCFW-OWZKRDHZSA-N 2 0 341.499 2.622 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978953515 716599981 /nfs/dbraw/zinc/59/99/81/716599981.db2.gz UIGBBTSUWDPQQT-AKHDSKFASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023550370 716610948 /nfs/dbraw/zinc/61/09/48/716610948.db2.gz ZSTWFMJZESNJML-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023550367 716611105 /nfs/dbraw/zinc/61/11/05/716611105.db2.gz ZSTWFMJZESNJML-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646448 716764774 /nfs/dbraw/zinc/76/47/74/716764774.db2.gz NGDHFQWWRVDMLQ-GOSISDBHSA-N 2 0 329.488 2.766 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001023681137 716808973 /nfs/dbraw/zinc/80/89/73/716808973.db2.gz HDBLZXDUFZNKTF-QGZVFWFLSA-N 2 0 338.455 2.890 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694782 716832923 /nfs/dbraw/zinc/83/29/23/716832923.db2.gz KYGKZAHOTMQRAY-IBGZPJMESA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695003 716833515 /nfs/dbraw/zinc/83/35/15/716833515.db2.gz RVDHRKUGUWUVAJ-SFHVURJKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978149264 716854016 /nfs/dbraw/zinc/85/40/16/716854016.db2.gz VYVBAPMASQFIFR-AFYVEPGGSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978280847 716944049 /nfs/dbraw/zinc/94/40/49/716944049.db2.gz ZNMGXZGKPZVGHN-HAGHYFMRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC000979781290 717426481 /nfs/dbraw/zinc/42/64/81/717426481.db2.gz YMCAJWYNQVJZDW-USXIJHARSA-N 2 0 347.528 2.826 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979975554 717630106 /nfs/dbraw/zinc/63/01/06/717630106.db2.gz BPTAQEJGAMFXLZ-IPMKNSEASA-N 2 0 345.531 2.655 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@@H]2C1 ZINC000979990878 717640178 /nfs/dbraw/zinc/64/01/78/717640178.db2.gz RTMXMFHNYAQBCF-KSZLIROESA-N 2 0 344.503 2.719 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@@H]2C1 ZINC000979990883 717640215 /nfs/dbraw/zinc/64/02/15/717640215.db2.gz RTMXMFHNYAQBCF-RCCFBDPRSA-N 2 0 344.503 2.719 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083333 717728893 /nfs/dbraw/zinc/72/88/93/717728893.db2.gz IBPZLAIHCIDUTO-YESZJQIVSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980089199 717732708 /nfs/dbraw/zinc/73/27/08/717732708.db2.gz XJHSCEVMTZOXHS-GBESFXJTSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440371 717738942 /nfs/dbraw/zinc/73/89/42/717738942.db2.gz ORJADLVMIXAOJD-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141514 717786421 /nfs/dbraw/zinc/78/64/21/717786421.db2.gz BLQWXPBQLQKUGL-RCCFBDPRSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479261 717792747 /nfs/dbraw/zinc/79/27/47/717792747.db2.gz CYWRXNVATNRMHB-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479308 717793711 /nfs/dbraw/zinc/79/37/11/717793711.db2.gz FDRCTOHQQHJMSE-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154018 717810189 /nfs/dbraw/zinc/81/01/89/717810189.db2.gz FUUNGCRUXCVEQT-JQHSSLGASA-N 2 0 345.487 2.748 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168371 717835616 /nfs/dbraw/zinc/83/56/16/717835616.db2.gz NKLLNIVNXKSGAB-OKZBNKHCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980190747 717881792 /nfs/dbraw/zinc/88/17/92/717881792.db2.gz YUTIIFOOBAORMS-ZCNNSNEGSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981181454 718171742 /nfs/dbraw/zinc/17/17/42/718171742.db2.gz LCHAKOUXAVISQS-HOTGVXAUSA-N 2 0 326.444 2.849 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024818955 718179811 /nfs/dbraw/zinc/17/98/11/718179811.db2.gz ITMDRXVLPRUEMP-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240356 718460006 /nfs/dbraw/zinc/46/00/06/718460006.db2.gz NPZRXTNMXRAGBX-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258220 718474164 /nfs/dbraw/zinc/47/41/64/718474164.db2.gz DPQGGTPWXQRHRJ-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258821 718475248 /nfs/dbraw/zinc/47/52/48/718475248.db2.gz JIZLOWIBGGIYAO-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265287 718486179 /nfs/dbraw/zinc/48/61/79/718486179.db2.gz DYBRKCSJISUHCB-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260583 718488149 /nfs/dbraw/zinc/48/81/49/718488149.db2.gz YNDCDUYOSJPVOX-RTBURBONSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045355 718489316 /nfs/dbraw/zinc/48/93/16/718489316.db2.gz FLZWBJNKXIPXEV-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275658 718514198 /nfs/dbraw/zinc/51/41/98/718514198.db2.gz YDEBDUPAKXHRIX-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279638 718517751 /nfs/dbraw/zinc/51/77/51/718517751.db2.gz FOYPBIXFQPYNOU-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279944 718518085 /nfs/dbraw/zinc/51/80/85/718518085.db2.gz JHCCDPPCLLZMLO-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281446 718519883 /nfs/dbraw/zinc/51/98/83/718519883.db2.gz VGYGAXTZYOAKHM-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289356 718527524 /nfs/dbraw/zinc/52/75/24/718527524.db2.gz ZHBZGZKEJZCNDK-PMACEKPBSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229579 718535628 /nfs/dbraw/zinc/53/56/28/718535628.db2.gz YTGVKZAZNHQJPC-LSDHHAIUSA-N 2 0 332.835 2.717 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229578 718535718 /nfs/dbraw/zinc/53/57/18/718535718.db2.gz YTGVKZAZNHQJPC-HUUCEWRRSA-N 2 0 332.835 2.717 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294256 718536569 /nfs/dbraw/zinc/53/65/69/718536569.db2.gz YGXKPCCUTDIJSP-ROUUACIJSA-N 2 0 330.476 2.682 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294257 718536674 /nfs/dbraw/zinc/53/66/74/718536674.db2.gz YGXKPCCUTDIJSP-ZWKOTPCHSA-N 2 0 330.476 2.682 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301648 718547299 /nfs/dbraw/zinc/54/72/99/718547299.db2.gz NSGKFBDLMXPJMZ-PMACEKPBSA-N 2 0 345.531 2.731 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981333696 718642213 /nfs/dbraw/zinc/64/22/13/718642213.db2.gz DOPVOTTYTMIGQZ-UXHICEINSA-N 2 0 343.515 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001029917000 724522301 /nfs/dbraw/zinc/52/23/01/724522301.db2.gz GADMUDQCGVROON-PMACEKPBSA-N 2 0 341.499 2.760 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981381895 718670109 /nfs/dbraw/zinc/67/01/09/718670109.db2.gz KBGIHUYOJNEZMP-MOPGFXCFSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981463302 718738355 /nfs/dbraw/zinc/73/83/55/718738355.db2.gz GCFZAXHHLIPXQJ-UONOGXRCSA-N 2 0 336.867 2.531 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542239 718800162 /nfs/dbraw/zinc/80/01/62/718800162.db2.gz SOFFOFQCDHOATP-WOJBJXKFSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025460364 718912465 /nfs/dbraw/zinc/91/24/65/718912465.db2.gz ZEUQLMMSDJBYEI-LSDHHAIUSA-N 2 0 326.444 2.969 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025460363 718912476 /nfs/dbraw/zinc/91/24/76/718912476.db2.gz ZEUQLMMSDJBYEI-HUUCEWRRSA-N 2 0 326.444 2.969 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799106 719052282 /nfs/dbraw/zinc/05/22/82/719052282.db2.gz NWNSNBAYLCCKCY-UHFFFAOYSA-N 2 0 333.501 2.534 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528134 719071690 /nfs/dbraw/zinc/07/16/90/719071690.db2.gz QKCJLMPYOWQLAV-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981822864 719090142 /nfs/dbraw/zinc/09/01/42/719090142.db2.gz VEMBDEKYUNDYMJ-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC000981839280 719108858 /nfs/dbraw/zinc/10/88/58/719108858.db2.gz SESGJCCMEXWZLO-UHFFFAOYSA-N 2 0 344.503 2.817 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842718 719120633 /nfs/dbraw/zinc/12/06/33/719120633.db2.gz JLHJRQJKJSKCOE-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137028 719121944 /nfs/dbraw/zinc/12/19/44/719121944.db2.gz DKVLUVRXDUKCBN-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557356 719124120 /nfs/dbraw/zinc/12/41/20/719124120.db2.gz GUCYBZOZDFNFNC-YLJYHZDGSA-N 2 0 341.499 2.602 20 30 EFEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC000981861522 719140209 /nfs/dbraw/zinc/14/02/09/719140209.db2.gz VKKAPFDBEGTIDX-UHFFFAOYSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874260 719154146 /nfs/dbraw/zinc/15/41/46/719154146.db2.gz DIACGRBZXWPIEY-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583675 719165144 /nfs/dbraw/zinc/16/51/44/719165144.db2.gz AXXYSWZQKQDBBC-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583853 719165489 /nfs/dbraw/zinc/16/54/89/719165489.db2.gz CBGCYURIUPMXOX-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472439 719178178 /nfs/dbraw/zinc/17/81/78/719178178.db2.gz HFIDTSHXTDJWBO-NRSPTQNISA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593859 719190063 /nfs/dbraw/zinc/19/00/63/719190063.db2.gz WLDCYIGSFZBFTR-FXAWDEMLSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000982012179 719435587 /nfs/dbraw/zinc/43/55/87/719435587.db2.gz RLLLRMYVOCIYAF-UHFFFAOYSA-N 2 0 341.499 2.515 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116259 719573744 /nfs/dbraw/zinc/57/37/44/719573744.db2.gz IMMLDRXQPWVNCC-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)CN1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162632 719606887 /nfs/dbraw/zinc/60/68/87/719606887.db2.gz XBQJVBHNJWQVFJ-HZPDHXFCSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982163700 719608457 /nfs/dbraw/zinc/60/84/57/719608457.db2.gz PIUVCWKWCRYXFL-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c(C)cnc4c3)C[C@@]2(C)C1 ZINC000982280515 719789139 /nfs/dbraw/zinc/78/91/39/719789139.db2.gz AENZIIUQNZHXHO-BGYRXZFFSA-N 2 0 338.455 2.613 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306344 719874792 /nfs/dbraw/zinc/87/47/92/719874792.db2.gz PQRFDRYTEPXNLM-UKAVVXHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362247 719999249 /nfs/dbraw/zinc/99/92/49/719999249.db2.gz VNRWPBNTDFIIQP-GOEBONIOSA-N 2 0 335.517 2.969 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC001026278235 720114570 /nfs/dbraw/zinc/11/45/70/720114570.db2.gz WDTOQQLNOXNGRN-BHYGNILZSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]12 ZINC001026278236 720114665 /nfs/dbraw/zinc/11/46/65/720114665.db2.gz WDTOQQLNOXNGRN-DJIMGWMZSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028342803 720396591 /nfs/dbraw/zinc/39/65/91/720396591.db2.gz GQZUMTMIOJQMFG-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]12 ZINC001026378451 720434806 /nfs/dbraw/zinc/43/48/06/720434806.db2.gz XMUXRBCTGGUVHH-VAMGGRTRSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001026505650 720682869 /nfs/dbraw/zinc/68/28/69/720682869.db2.gz LCLINMWRYRQMQK-GTPINHCMSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001026534204 720720349 /nfs/dbraw/zinc/72/03/49/720720349.db2.gz XELJZFDKMIJSHP-OFLPRAFFSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982616506 720950450 /nfs/dbraw/zinc/95/04/50/720950450.db2.gz DFMADDGKCYNWMJ-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623959 720959885 /nfs/dbraw/zinc/95/98/85/720959885.db2.gz NDVOPYOVJGKGCR-NRSPTQNISA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541838 720983414 /nfs/dbraw/zinc/98/34/14/720983414.db2.gz FWJXYCMYQADALA-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541837 720983900 /nfs/dbraw/zinc/98/39/00/720983900.db2.gz FWJXYCMYQADALA-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639797 721040403 /nfs/dbraw/zinc/04/04/03/721040403.db2.gz ADRFHVYFSUDCHP-JYRKZWEQSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600069 721198998 /nfs/dbraw/zinc/19/89/98/721198998.db2.gz GECKAVXCYGYKDA-FUHWJXTLSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650313 721240078 /nfs/dbraw/zinc/24/00/78/721240078.db2.gz IPXOMKIQRZMMIR-QZTJIDSGSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974828534 721462875 /nfs/dbraw/zinc/46/28/75/721462875.db2.gz PIXUGLZQMFLVPH-QGZVFWFLSA-N 2 0 326.444 2.741 20 30 EFEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N(C)Cc1cc(Cl)cn1C ZINC000261987954 722664605 /nfs/dbraw/zinc/66/46/05/722664605.db2.gz QONBYTCSIGAZDQ-UHFFFAOYSA-N 2 0 339.915 2.560 20 30 EFEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863554 722913092 /nfs/dbraw/zinc/91/30/92/722913092.db2.gz IEXMHQPISIHYBW-CTNGQTDRSA-N 2 0 325.500 2.899 20 30 EFEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000263014613 724849599 /nfs/dbraw/zinc/84/95/99/724849599.db2.gz ZENYENVCXYBUHO-INIZCTEOSA-N 2 0 330.476 2.537 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000986964656 724995460 /nfs/dbraw/zinc/99/54/60/724995460.db2.gz ZZQMJPLXZRQYKP-YJBOKZPZSA-N 2 0 349.906 2.736 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992153276 725566454 /nfs/dbraw/zinc/56/64/54/725566454.db2.gz UVAYDWDPQKLMHZ-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000987187329 725569121 /nfs/dbraw/zinc/56/91/21/725569121.db2.gz AZEHFPUSCLLHKS-WMLDXEAASA-N 2 0 335.879 2.693 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364483 725747500 /nfs/dbraw/zinc/74/75/00/725747500.db2.gz ARXOZBQOWKVVAM-QUCCMNQESA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000987607061 725778216 /nfs/dbraw/zinc/77/82/16/725778216.db2.gz XHNNHAUXOBTQIR-RDJZCZTQSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC000992698974 726121256 /nfs/dbraw/zinc/12/12/56/726121256.db2.gz GSLCDDDGNQUZET-HYVNUMGLSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC000992860606 726309810 /nfs/dbraw/zinc/30/98/10/726309810.db2.gz OANKJQYPWHEJLG-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993804548 727526493 /nfs/dbraw/zinc/52/64/93/727526493.db2.gz LCOZKFJLICEJMP-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993811545 727527924 /nfs/dbraw/zinc/52/79/24/727527924.db2.gz ZJYFEYZCGJRWDF-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993825292 727531576 /nfs/dbraw/zinc/53/15/76/727531576.db2.gz NHZGJMZEUGXHDI-LPHOPBHVSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201929 727622091 /nfs/dbraw/zinc/62/20/91/727622091.db2.gz INOVZAWVTILCSZ-APWZRJJASA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCC[N@H+]1C ZINC000916410623 727681974 /nfs/dbraw/zinc/68/19/74/727681974.db2.gz XDOQSBOOPYUYMM-INIZCTEOSA-N 2 0 349.548 2.679 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H](C)C1 ZINC000942179516 728351441 /nfs/dbraw/zinc/35/14/41/728351441.db2.gz BHFTUECDFHVXLX-NVXWUHKLSA-N 2 0 332.492 2.719 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205689 728366030 /nfs/dbraw/zinc/36/60/30/728366030.db2.gz VQLVWXJAVRFECW-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205687 728366179 /nfs/dbraw/zinc/36/61/79/728366179.db2.gz VQLVWXJAVRFECW-KDOFPFPSSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953464 728409961 /nfs/dbraw/zinc/40/99/61/728409961.db2.gz OQNGYNMBTXTIKZ-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000170910314 728494670 /nfs/dbraw/zinc/49/46/70/728494670.db2.gz OUFHACIHHIHOHD-QGZVFWFLSA-N 2 0 332.492 2.610 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829071 728528539 /nfs/dbraw/zinc/52/85/39/728528539.db2.gz CQMSKVGSGGNQHK-OALUTQOASA-N 2 0 333.520 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829072 728528653 /nfs/dbraw/zinc/52/86/53/728528653.db2.gz CQMSKVGSGGNQHK-RBUKOAKNSA-N 2 0 333.520 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948898634 728639231 /nfs/dbraw/zinc/63/92/31/728639231.db2.gz KMVDHTJTYDULMO-VQTJNVASSA-N 2 0 341.499 2.762 20 30 EFEDRP C#CCCCCCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574545755 1088022563 /nfs/dbraw/zinc/02/25/63/1088022563.db2.gz VHIYMFDGWCOZQL-SFHVURJKSA-N 2 0 343.519 2.582 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001574902793 1088144549 /nfs/dbraw/zinc/14/45/49/1088144549.db2.gz GXUNIZWCIMHGMQ-RBUKOAKNSA-N 2 0 329.488 2.932 20 30 EFEDRP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580078385 1090765826 /nfs/dbraw/zinc/76/58/26/1090765826.db2.gz WMFPRMDCEOOFAA-JKSUJKDBSA-N 2 0 328.416 2.678 20 30 EFEDRP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267151447 1092926258 /nfs/dbraw/zinc/92/62/58/1092926258.db2.gz QOPUXPGMCAOUSQ-INIZCTEOSA-N 2 0 349.906 2.518 20 30 EFEDRP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267152023 1092929071 /nfs/dbraw/zinc/92/90/71/1092929071.db2.gz HFXIRHGEWXKINF-INIZCTEOSA-N 2 0 349.906 2.518 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211557535 1093122708 /nfs/dbraw/zinc/12/27/08/1093122708.db2.gz VGGMTBZIFAOOBU-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458540 1093230041 /nfs/dbraw/zinc/23/00/41/1093230041.db2.gz JFYUSPUMSQQDBZ-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458443 1093230295 /nfs/dbraw/zinc/23/02/95/1093230295.db2.gz GBYUWCPAAYMGJH-RBUKOAKNSA-N 2 0 347.547 2.855 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458761 1093233095 /nfs/dbraw/zinc/23/30/95/1093233095.db2.gz PEZVJEXEEKZXSJ-ICSRJNTNSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461669 1093327715 /nfs/dbraw/zinc/32/77/15/1093327715.db2.gz NUXVQSRKUURVMA-RTBURBONSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH]ccc-2n1 ZINC001087293156 1095023920 /nfs/dbraw/zinc/02/39/20/1095023920.db2.gz ZGEFLMKLIKDHRE-FHLIZLRMSA-N 2 0 338.455 2.968 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301453 1095133533 /nfs/dbraw/zinc/13/35/33/1095133533.db2.gz CLXTYVOPICUUEX-SQNIBIBYSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087304256 1095170779 /nfs/dbraw/zinc/17/07/79/1095170779.db2.gz ZQWDIMXZGRAADC-BHIYHBOVSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087304257 1095171525 /nfs/dbraw/zinc/17/15/25/1095171525.db2.gz ZQWDIMXZGRAADC-NEWSRXKRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306279 1095192105 /nfs/dbraw/zinc/19/21/05/1095192105.db2.gz GWVXAZAXRYUFLZ-QRQLOZEOSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307118 1095198114 /nfs/dbraw/zinc/19/81/14/1095198114.db2.gz UICOPCYIGXLROI-RLLQIKCJSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ncc[nH]1 ZINC001087309717 1095233082 /nfs/dbraw/zinc/23/30/82/1095233082.db2.gz KTELEVLPSVQNDR-FHLIZLRMSA-N 2 0 330.476 2.524 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087315061 1095285592 /nfs/dbraw/zinc/28/55/92/1095285592.db2.gz VTZPSXQRXFFVGD-KZNAEPCWSA-N 2 0 345.531 2.654 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167694148 1095651420 /nfs/dbraw/zinc/65/14/20/1095651420.db2.gz DNGXHKMVWNWJPR-GOSISDBHSA-N 2 0 333.520 2.540 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001114956028 1095664143 /nfs/dbraw/zinc/66/41/43/1095664143.db2.gz AAMSNJXFJBYIRZ-BGTYHANMSA-N 2 0 332.492 2.605 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000981965042 1095854583 /nfs/dbraw/zinc/85/45/83/1095854583.db2.gz SHLNPWLTRJHQRF-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167748387 1098713643 /nfs/dbraw/zinc/71/36/43/1098713643.db2.gz KTMZIXZJDGURLJ-UHFFFAOYSA-N 2 0 335.536 2.929 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916757 1099016102 /nfs/dbraw/zinc/01/61/02/1099016102.db2.gz DCYAFOLEPYMXKC-IAGOWNOFSA-N 2 0 344.503 2.802 20 30 EFEDRP CC#CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCCCC1 ZINC001115560174 1099346833 /nfs/dbraw/zinc/34/68/33/1099346833.db2.gz VDDZYFYAUCHZPW-UHFFFAOYSA-N 2 0 347.528 2.855 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCCC)C2)CC1 ZINC001105062246 1099525385 /nfs/dbraw/zinc/52/53/85/1099525385.db2.gz IRDKULUVCUZLMU-UYAOXDASSA-N 2 0 347.547 2.596 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105066942 1099546858 /nfs/dbraw/zinc/54/68/58/1099546858.db2.gz GZZNSXSJWAEOLO-VAMGGRTRSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105097749 1099685106 /nfs/dbraw/zinc/68/51/06/1099685106.db2.gz YKCCVMJJPGDCFI-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793848 1100043141 /nfs/dbraw/zinc/04/31/41/1100043141.db2.gz URLLCGKTDIDDOK-CMKODMSKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395608 1100555674 /nfs/dbraw/zinc/55/56/74/1100555674.db2.gz BIBSUNKEFKXBSC-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396210 1100582290 /nfs/dbraw/zinc/58/22/90/1100582290.db2.gz JMLPBOKEXQBOJB-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396768 1100593601 /nfs/dbraw/zinc/59/36/01/1100593601.db2.gz VISJUGLYEPCXGY-IBGZPJMESA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671872 1100652769 /nfs/dbraw/zinc/65/27/69/1100652769.db2.gz UJVZWYILFACFLL-OTWHNJEPSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2CC)CC1 ZINC001087840163 1100852428 /nfs/dbraw/zinc/85/24/28/1100852428.db2.gz KLXHYNSBRSXIDF-RBUKOAKNSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966822 1101096136 /nfs/dbraw/zinc/09/61/36/1101096136.db2.gz XAIBDCWIVXMMHD-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982708 1101119261 /nfs/dbraw/zinc/11/92/61/1101119261.db2.gz UMDUZTVLYXAIFY-WBVHZDCISA-N 2 0 347.528 2.780 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001087986247 1101149390 /nfs/dbraw/zinc/14/93/90/1101149390.db2.gz CETYSECRUQGBLN-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129293 1101623442 /nfs/dbraw/zinc/62/34/42/1101623442.db2.gz GTWABIRMPLVUCY-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088158115 1101713112 /nfs/dbraw/zinc/71/31/12/1101713112.db2.gz XVLBIFHOINFCOS-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166893 1101730019 /nfs/dbraw/zinc/73/00/19/1101730019.db2.gz XGOKNLBXMFQUIT-AABGKKOBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167437979 1101737433 /nfs/dbraw/zinc/73/74/33/1101737433.db2.gz LCYBYJOGGXCNCY-CVEARBPZSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC001088210893 1101883200 /nfs/dbraw/zinc/88/32/00/1101883200.db2.gz GXKWDBGTZVPUDT-MJGOQNOKSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212603 1101888225 /nfs/dbraw/zinc/88/82/25/1101888225.db2.gz CDAKGPCRWOBSJB-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345441 1101965364 /nfs/dbraw/zinc/96/53/64/1101965364.db2.gz HLKMXXNMFQGJEK-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232729 1102098502 /nfs/dbraw/zinc/09/85/02/1102098502.db2.gz OGSWYQNYWSUAPU-LJQANCHMSA-N 2 0 339.499 2.651 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001104369864 1102339833 /nfs/dbraw/zinc/33/98/33/1102339833.db2.gz ILHWTEMACXLVFA-IAGOWNOFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311852 1102842298 /nfs/dbraw/zinc/84/22/98/1102842298.db2.gz IKOXEJJUKFMQLD-SJORKVTESA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336347 1102995524 /nfs/dbraw/zinc/99/55/24/1102995524.db2.gz BNRBEAOWLVZWRN-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001088342972 1103035488 /nfs/dbraw/zinc/03/54/88/1103035488.db2.gz ZPDGNCSNCXPYNF-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001088353387 1103129223 /nfs/dbraw/zinc/12/92/23/1103129223.db2.gz YGEOHUBGIGATQQ-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001088411442 1103484237 /nfs/dbraw/zinc/48/42/37/1103484237.db2.gz HDSRYQYEQQBTCH-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001088432967 1103597172 /nfs/dbraw/zinc/59/71/72/1103597172.db2.gz JGPDPJCHWRIEBY-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378561 1104119251 /nfs/dbraw/zinc/11/92/51/1104119251.db2.gz WLNVRCFEJDWTJX-RTWAWAEBSA-N 2 0 348.531 2.935 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001105442750 1104155585 /nfs/dbraw/zinc/15/55/85/1104155585.db2.gz NFKXFAMTVUINEH-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001665463145 1104699042 /nfs/dbraw/zinc/69/90/42/1104699042.db2.gz UCYGBEKHVWOLOB-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC000988844057 1105325421 /nfs/dbraw/zinc/32/54/21/1105325421.db2.gz MECVICBPWHSUQI-WFASDCNBSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC000988844053 1105325503 /nfs/dbraw/zinc/32/55/03/1105325503.db2.gz MECVICBPWHSUQI-IUODEOHRSA-N 2 0 332.835 2.588 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001671359825 1105629295 /nfs/dbraw/zinc/62/92/95/1105629295.db2.gz QBTLGYKJDUMMKA-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517382 1105863267 /nfs/dbraw/zinc/86/32/67/1105863267.db2.gz BCPVXCZFYOPJFC-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539552 1105910333 /nfs/dbraw/zinc/91/03/33/1105910333.db2.gz JPIKUAIBPVLERF-RTBURBONSA-N 2 0 345.531 2.655 20 30 EFEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574836 1105960846 /nfs/dbraw/zinc/96/08/46/1105960846.db2.gz JNWZRSCGOJQPOO-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105575278 1105962531 /nfs/dbraw/zinc/96/25/31/1105962531.db2.gz XDGBAUPTBFGSHO-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576551 1105964386 /nfs/dbraw/zinc/96/43/86/1105964386.db2.gz HFJOZZWOAUSBSI-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237161 1106069225 /nfs/dbraw/zinc/06/92/25/1106069225.db2.gz RKZRFHQFCCQYLO-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)CN2CCc3sccc3C2)CC1 ZINC001168297639 1106388522 /nfs/dbraw/zinc/38/85/22/1106388522.db2.gz VKRWJNAFPWGNII-UHFFFAOYSA-N 2 0 347.528 2.558 20 30 EFEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033415 1106521788 /nfs/dbraw/zinc/52/17/88/1106521788.db2.gz AXGZQSGROKPZMD-NVXWUHKLSA-N 2 0 344.503 2.925 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738542 1106616252 /nfs/dbraw/zinc/61/62/52/1106616252.db2.gz FLOLKCUSAAWILK-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168318790 1106645862 /nfs/dbraw/zinc/64/58/62/1106645862.db2.gz GNWXPVYQXYKGIP-QLOJAFMTSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989775258 1106646666 /nfs/dbraw/zinc/64/66/66/1106646666.db2.gz UABHEVHBLHBIBX-UHFFFAOYSA-N 2 0 333.476 2.845 20 30 EFEDRP C[NH+]=C(NCC1CCSCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000086917085 1106758384 /nfs/dbraw/zinc/75/83/84/1106758384.db2.gz OKNZZQRVJSXNRJ-KRWDZBQOSA-N 2 0 338.565 2.513 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015072 1106876326 /nfs/dbraw/zinc/87/63/26/1106876326.db2.gz BSQDDHIQLPAHTN-NLWGTHIKSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991022715 1107090322 /nfs/dbraw/zinc/09/03/22/1107090322.db2.gz VYYCNYAAUBAPCC-WSTZPKSXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040249939 1107648052 /nfs/dbraw/zinc/64/80/52/1107648052.db2.gz GKQQMADULMFBGG-ICSRJNTNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(Cl)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115628 1107688168 /nfs/dbraw/zinc/68/81/68/1107688168.db2.gz IDDSDSSDXVJEIK-HOTGVXAUSA-N 2 0 343.943 2.932 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392552 1108220613 /nfs/dbraw/zinc/22/06/13/1108220613.db2.gz UZCUWPIEVYHOSY-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153325 1108261991 /nfs/dbraw/zinc/26/19/91/1108261991.db2.gz HZBSLPDFQATUTQ-SFHVURJKSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040279897 1108675135 /nfs/dbraw/zinc/67/51/35/1108675135.db2.gz BBCZFNBYKZEPBO-HXUWFJFHSA-N 2 0 345.531 2.896 20 30 EFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000924722985 1108869627 /nfs/dbraw/zinc/86/96/27/1108869627.db2.gz PULOPRULXSKOBV-KRWDZBQOSA-N 2 0 328.504 2.852 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766537 1109231364 /nfs/dbraw/zinc/23/13/64/1109231364.db2.gz VXOCLRVFLYTHON-XFKSJGNHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329923 1109296099 /nfs/dbraw/zinc/29/60/99/1109296099.db2.gz XVMYMNBIRLAMNP-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244398 1109727703 /nfs/dbraw/zinc/72/77/03/1109727703.db2.gz QZNNGUINVKUYDU-VQTJNVASSA-N 2 0 341.499 2.513 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001106225847 1111172683 /nfs/dbraw/zinc/17/26/83/1111172683.db2.gz JJAVHGIFWXRGDD-IAGOWNOFSA-N 2 0 334.508 2.997 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249802 1111218622 /nfs/dbraw/zinc/21/86/22/1111218622.db2.gz QNSGQTXTPUFFFR-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321771 1111410336 /nfs/dbraw/zinc/41/03/36/1111410336.db2.gz DTBGARGNHCBDDV-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001106478549 1111569297 /nfs/dbraw/zinc/56/92/97/1111569297.db2.gz ZKUJYMGNGSPUPD-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001099239542 1111670531 /nfs/dbraw/zinc/67/05/31/1111670531.db2.gz GRCQZYVFXILXDT-QGZVFWFLSA-N 2 0 335.536 2.594 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666756 1111709384 /nfs/dbraw/zinc/70/93/84/1111709384.db2.gz TVTKBXQFYRRDJW-IPMKNSEASA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667937 1111711718 /nfs/dbraw/zinc/71/17/18/1111711718.db2.gz CYZBSDMLYOUWRA-FGTMMUONSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106730555 1111775459 /nfs/dbraw/zinc/77/54/59/1111775459.db2.gz FAQGZEPJYGPOCD-DJIMGWMZSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765542 1111811524 /nfs/dbraw/zinc/81/15/24/1111811524.db2.gz HODKXSUANWAVEL-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001106865279 1111927859 /nfs/dbraw/zinc/92/78/59/1111927859.db2.gz DWXYZHJPCXHRRZ-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874749 1111944253 /nfs/dbraw/zinc/94/42/53/1111944253.db2.gz RRXVDBDIEXSNRR-CEXWTWQISA-N 2 0 337.552 2.983 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874750 1111944422 /nfs/dbraw/zinc/94/44/22/1111944422.db2.gz RRXVDBDIEXSNRR-GUDVDZBRSA-N 2 0 337.552 2.983 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884749 1111949221 /nfs/dbraw/zinc/94/92/21/1111949221.db2.gz MXSAKVSFHXIDTK-IXDOHACOSA-N 2 0 344.503 2.800 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885206 1111951988 /nfs/dbraw/zinc/95/19/88/1111951988.db2.gz XBZLTHQOMDFZQC-QZTJIDSGSA-N 2 0 335.536 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089385805 1112048847 /nfs/dbraw/zinc/04/88/47/1112048847.db2.gz JTNUNTBJGAMHJY-GOSISDBHSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386300 1112049484 /nfs/dbraw/zinc/04/94/84/1112049484.db2.gz OHKOKHJPEXABHN-MSOLQXFVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386067 1112049573 /nfs/dbraw/zinc/04/95/73/1112049573.db2.gz MKPVWUNSFWZNKJ-MSOLQXFVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388428 1112052858 /nfs/dbraw/zinc/05/28/58/1112052858.db2.gz CBBNKBPTCCHAAG-BZUAXINKSA-N 2 0 341.927 2.686 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406189 1112076664 /nfs/dbraw/zinc/07/66/64/1112076664.db2.gz IJNQEOKOORLXAM-MOPGFXCFSA-N 2 0 347.547 2.879 20 30 EFEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406590 1112077957 /nfs/dbraw/zinc/07/79/57/1112077957.db2.gz NXXBBWAYTFXTTP-IEBWSBKVSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415762 1112092087 /nfs/dbraw/zinc/09/20/87/1112092087.db2.gz CIPUWXDLVIJIEP-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421872 1112102848 /nfs/dbraw/zinc/10/28/48/1112102848.db2.gz YYKFNQSGDXDWEB-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423355 1112107494 /nfs/dbraw/zinc/10/74/94/1112107494.db2.gz ILILBRUQIYKFRA-IAGOWNOFSA-N 2 0 344.503 2.628 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430126 1112120922 /nfs/dbraw/zinc/12/09/22/1112120922.db2.gz IFXBXEKNESVTHZ-QGZVFWFLSA-N 2 0 338.455 2.578 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430461 1112121928 /nfs/dbraw/zinc/12/19/28/1112121928.db2.gz NCZVFHYDOSNCBX-MRXNPFEDSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445620 1112157966 /nfs/dbraw/zinc/15/79/66/1112157966.db2.gz KPUYANRGJPALRA-MSOLQXFVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089472724 1112194198 /nfs/dbraw/zinc/19/41/98/1112194198.db2.gz NWDYYSHSTXLHRL-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477032 1112204530 /nfs/dbraw/zinc/20/45/30/1112204530.db2.gz JVLBWMMBCQGTOF-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483696 1112216041 /nfs/dbraw/zinc/21/60/41/1112216041.db2.gz MQTPEQHWCIGCEJ-MRXNPFEDSA-N 2 0 341.927 2.688 20 30 EFEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089520192 1112266728 /nfs/dbraw/zinc/26/67/28/1112266728.db2.gz SGEUKRPZSLMHLL-LJQANCHMSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527254 1112270792 /nfs/dbraw/zinc/27/07/92/1112270792.db2.gz LQLJVQVEEFXBTQ-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089537447 1112276838 /nfs/dbraw/zinc/27/68/38/1112276838.db2.gz MKEDUDBNBSPKQO-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549283 1112295437 /nfs/dbraw/zinc/29/54/37/1112295437.db2.gz VZBAAINJFYEIRI-CQSZACIVSA-N 2 0 338.883 2.620 20 30 EFEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561128 1112309822 /nfs/dbraw/zinc/30/98/22/1112309822.db2.gz MKXPIJTUORQEMM-LJQANCHMSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641783 1112434703 /nfs/dbraw/zinc/43/47/03/1112434703.db2.gz SPFVDUOZZFMXEF-ZWKOTPCHSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649138 1112464243 /nfs/dbraw/zinc/46/42/43/1112464243.db2.gz BZFGDQYOWQVSEQ-MSOLQXFVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089820459 1117879678 /nfs/dbraw/zinc/87/96/78/1117879678.db2.gz MRAMZYJSNPGDDG-VJANTYMQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001089821638 1117924006 /nfs/dbraw/zinc/92/40/06/1117924006.db2.gz WPGCTPSSEBXFFG-LEAZDLGRSA-N 2 0 345.531 2.606 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001040911977 1118034774 /nfs/dbraw/zinc/03/47/74/1118034774.db2.gz JUKAKGGBAKZELE-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581436 1118989277 /nfs/dbraw/zinc/98/92/77/1118989277.db2.gz GQUCUGYJQXMETL-WBVHZDCISA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272717135 1118993436 /nfs/dbraw/zinc/99/34/36/1118993436.db2.gz POWIICKAMOXMDY-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272718757 1119177012 /nfs/dbraw/zinc/17/70/12/1119177012.db2.gz MKKHRSZLPJQNBN-SFHVURJKSA-N 2 0 333.520 2.657 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943519953 1119534578 /nfs/dbraw/zinc/53/45/78/1119534578.db2.gz ZYGPRUHEUFKFQZ-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944044864 1119890795 /nfs/dbraw/zinc/89/07/95/1119890795.db2.gz AWKKKVLCUVRXCO-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944046703 1119892776 /nfs/dbraw/zinc/89/27/76/1119892776.db2.gz KKMHFUBLFCANAF-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047091 1119894230 /nfs/dbraw/zinc/89/42/30/1119894230.db2.gz NTCOTYWIPJGIAI-XLIONFOSSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037392 1120033767 /nfs/dbraw/zinc/03/37/67/1120033767.db2.gz CDRQZQSPDGFZPQ-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037491 1120033841 /nfs/dbraw/zinc/03/38/41/1120033841.db2.gz LTGDFVARBBXHBE-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107072625 1120262557 /nfs/dbraw/zinc/26/25/57/1120262557.db2.gz XCLCHPJOEIYTTC-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)C[C@@H]2C)CC1 ZINC000945183879 1120663637 /nfs/dbraw/zinc/66/36/37/1120663637.db2.gz UGTMHDQEBQHKAD-PXNSSMCTSA-N 2 0 347.547 2.594 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000423277203 283139274 /nfs/dbraw/zinc/13/92/74/283139274.db2.gz NXBMVOCICJSHOR-ICSRJNTNSA-N 2 0 326.488 2.630 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262428749 240352022 /nfs/dbraw/zinc/35/20/22/240352022.db2.gz SDJBDPVOXOPBPT-HSALFYBXSA-N 2 0 340.515 2.611 20 30 EFEDRP C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262772174 240367474 /nfs/dbraw/zinc/36/74/74/240367474.db2.gz JBSTXJPJMHPRFE-MRXNPFEDSA-N 2 0 348.491 2.569 20 30 EFEDRP C[NH+]=C(NCc1ccccn1)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262748337 240368165 /nfs/dbraw/zinc/36/81/65/240368165.db2.gz GGFVIZAZMZWIAX-VQIMIIECSA-N 2 0 337.471 2.582 20 30 EFEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000072718485 216298672 /nfs/dbraw/zinc/29/86/72/216298672.db2.gz AIFLZBDYJABBPE-KRWDZBQOSA-N 2 0 340.471 2.695 20 30 EFEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857890 216319258 /nfs/dbraw/zinc/31/92/58/216319258.db2.gz DGONWCGPHNDOJR-CQSZACIVSA-N 2 0 348.878 2.814 20 30 EFEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccn1 ZINC000170911502 239135238 /nfs/dbraw/zinc/13/52/38/239135238.db2.gz SSUFPQOJQJJLIC-CQSZACIVSA-N 2 0 329.473 2.782 20 30 EFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000192834306 240067632 /nfs/dbraw/zinc/06/76/32/240067632.db2.gz JRVKEQHTBPPKSC-RTBURBONSA-N 2 0 327.472 2.815 20 30 EFEDRP COCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000237199908 240241888 /nfs/dbraw/zinc/24/18/88/240241888.db2.gz LGWQHYZKWHIKJG-UHFFFAOYSA-N 2 0 344.503 2.627 20 30 EFEDRP CC[NH+]=C(NCc1cc(C)c(O)c(C)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261984906 240335488 /nfs/dbraw/zinc/33/54/88/240335488.db2.gz PUGODJCCSRWHHD-MAUKXSAKSA-N 2 0 344.503 2.547 20 30 EFEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262010021 240339541 /nfs/dbraw/zinc/33/95/41/240339541.db2.gz JHOLTSNGZZUADY-BBRMVZONSA-N 2 0 338.858 2.952 20 30 EFEDRP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262016430 240342024 /nfs/dbraw/zinc/34/20/24/240342024.db2.gz XTVILPIYQVIBMO-ZWNOBZJWSA-N 2 0 326.897 2.549 20 30 EFEDRP C=CCN(CC1CC[NH2+]CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000262035661 240342778 /nfs/dbraw/zinc/34/27/78/240342778.db2.gz XPWWGUHDFBVWLY-IBGZPJMESA-N 2 0 330.472 2.648 20 30 EFEDRP C[NH+]=C(NC[C@H](C)Sc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262792711 240370564 /nfs/dbraw/zinc/37/05/64/240370564.db2.gz OQBRIUWOZCUTES-DLBZAZTESA-N 2 0 344.528 2.689 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264053049 240398209 /nfs/dbraw/zinc/39/82/09/240398209.db2.gz MXKSXGDPTXDHAR-UHFFFAOYSA-N 2 0 326.444 2.741 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[NH+](C(C)C)C(C)C)cc1OC ZINC000267450451 240519542 /nfs/dbraw/zinc/51/95/42/240519542.db2.gz RGROFZKCVQFDQW-UHFFFAOYSA-N 2 0 336.480 2.939 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000297040690 241109347 /nfs/dbraw/zinc/10/93/47/241109347.db2.gz MNLUOBXLDAMIQR-IPQPSQTFSA-N 2 0 348.535 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000358384378 242117394 /nfs/dbraw/zinc/11/73/94/242117394.db2.gz QETCOIGSWUSFEJ-UHFFFAOYSA-N 2 0 348.535 2.687 20 30 EFEDRP C=CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735782 244316783 /nfs/dbraw/zinc/31/67/83/244316783.db2.gz GZSTUNKSLGNEAZ-IXDOHACOSA-N 2 0 340.475 2.599 20 30 EFEDRP C=CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735784 244317354 /nfs/dbraw/zinc/31/73/54/244317354.db2.gz GZSTUNKSLGNEAZ-YESZJQIVSA-N 2 0 340.475 2.599 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416147183 244530926 /nfs/dbraw/zinc/53/09/26/244530926.db2.gz AEYLNWYWXVWYGW-LJQANCHMSA-N 2 0 329.488 2.836 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442711200 250105572 /nfs/dbraw/zinc/10/55/72/250105572.db2.gz RPTPAWGPWUUQQV-WOJBJXKFSA-N 2 0 326.488 2.606 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442711198 250106104 /nfs/dbraw/zinc/10/61/04/250106104.db2.gz RPTPAWGPWUUQQV-VQTJNVASSA-N 2 0 326.488 2.606 20 30 EFEDRP N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000442813032 250124163 /nfs/dbraw/zinc/12/41/63/250124163.db2.gz AUJVQOLMMQWELS-MOPGFXCFSA-N 2 0 327.472 2.986 20 30 EFEDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449114401 250920494 /nfs/dbraw/zinc/92/04/94/250920494.db2.gz CHIRPKSWDVGMJQ-UHFFFAOYSA-N 2 0 342.487 2.540 20 30 EFEDRP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC000174277254 533674252 /nfs/dbraw/zinc/67/42/52/533674252.db2.gz WLYFQRXLCVREQY-UHFFFAOYSA-N 2 0 339.439 2.797 20 30 EFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375543970 287142017 /nfs/dbraw/zinc/14/20/17/287142017.db2.gz BYJSHJUDQDTWQS-SJORKVTESA-N 2 0 326.488 2.720 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000533272255 270035937 /nfs/dbraw/zinc/03/59/37/270035937.db2.gz XJTLBADYVXJXNS-UHFFFAOYSA-N 2 0 342.487 2.939 20 30 EFEDRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000271831694 267182285 /nfs/dbraw/zinc/18/22/85/267182285.db2.gz FDGFNENGGYMMAH-SFHVURJKSA-N 2 0 349.482 2.816 20 30 EFEDRP C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766534 267257285 /nfs/dbraw/zinc/25/72/85/267257285.db2.gz MRPBUUQMIZRXDT-INIZCTEOSA-N 2 0 332.879 2.818 20 30 EFEDRP CC[NH+]1CCC(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000304744761 273649110 /nfs/dbraw/zinc/64/91/10/273649110.db2.gz DTTGKXKOJODOCN-QGZVFWFLSA-N 2 0 330.476 2.537 20 30 EFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286166014 274146201 /nfs/dbraw/zinc/14/62/01/274146201.db2.gz QDRYWWGSRNJADU-SFHVURJKSA-N 2 0 326.488 2.849 20 30 EFEDRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181591589 274253261 /nfs/dbraw/zinc/25/32/61/274253261.db2.gz PMTZNYXHNJGBER-MRXNPFEDSA-N 2 0 335.455 2.556 20 30 EFEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330243375 276005962 /nfs/dbraw/zinc/00/59/62/276005962.db2.gz WRUVQMYTRJURRB-KZNAEPCWSA-N 2 0 337.508 2.585 20 30 EFEDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1(C)C ZINC000442878655 277106706 /nfs/dbraw/zinc/10/67/06/277106706.db2.gz UHYXTICZLOMIKH-FQEVSTJZSA-N 2 0 340.515 2.941 20 30 EFEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840785 277577220 /nfs/dbraw/zinc/57/72/20/277577220.db2.gz OYUTWHKZDNECEE-JXFKEZNVSA-N 2 0 326.488 2.551 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000447575104 288035744 /nfs/dbraw/zinc/03/57/44/288035744.db2.gz QJOTWCGHXNDXAR-ZCNNSNEGSA-N 2 0 327.472 2.977 20 30 EFEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360885531 279264022 /nfs/dbraw/zinc/26/40/22/279264022.db2.gz SONREULQNGMYEJ-UTKZUKDTSA-N 2 0 340.515 2.941 20 30 EFEDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172972 280197831 /nfs/dbraw/zinc/19/78/31/280197831.db2.gz LSAUEMCOFLZPST-AZUAARDMSA-N 2 0 326.488 2.767 20 30 EFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375543966 290245628 /nfs/dbraw/zinc/24/56/28/290245628.db2.gz BYJSHJUDQDTWQS-IAGOWNOFSA-N 2 0 326.488 2.720 20 30 EFEDRP CN(C)c1ncccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000576764987 320047085 /nfs/dbraw/zinc/04/70/85/320047085.db2.gz DIMBRYKVLBLURD-ZDUSSCGKSA-N 2 0 328.441 2.734 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CCc3cscn3)CC2)cc1 ZINC000181911141 323254960 /nfs/dbraw/zinc/25/49/60/323254960.db2.gz IOBSAOBIDRYDQF-UHFFFAOYSA-N 2 0 326.469 2.811 20 30 EFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000081568876 473222342 /nfs/dbraw/zinc/22/23/42/473222342.db2.gz IPWMKXJDKCTCMH-MRXNPFEDSA-N 2 0 328.460 2.551 20 30 EFEDRP C[N@@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304890 /nfs/dbraw/zinc/30/48/90/473304890.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 2 0 326.488 2.550 20 30 EFEDRP CC(C)(CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000083029905 473314779 /nfs/dbraw/zinc/31/47/79/473314779.db2.gz JMLRYQPHPMZXKT-MRXNPFEDSA-N 2 0 330.476 2.679 20 30 EFEDRP CC(C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083030753 473315706 /nfs/dbraw/zinc/31/57/06/473315706.db2.gz FGTCSMAHNMSCGR-IRXDYDNUSA-N 2 0 330.476 2.535 20 30 EFEDRP C[NH+](C)CCCCCCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083033836 473317572 /nfs/dbraw/zinc/31/75/72/473317572.db2.gz CCMZQWPDSNMPMQ-QGZVFWFLSA-N 2 0 332.492 2.927 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000098093132 472517580 /nfs/dbraw/zinc/51/75/80/472517580.db2.gz FUBGVNAHULDSHS-UHFFFAOYSA-N 2 0 325.456 2.566 20 30 EFEDRP C#CCNC(=[NH+]CC)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119471525 472558407 /nfs/dbraw/zinc/55/84/07/472558407.db2.gz JRIXWAFWTBLUSD-VQTJNVASSA-N 2 0 338.499 2.572 20 30 EFEDRP CC[NH+](CC)Cc1ccc(CNC(NCc2ccco2)=[NH+]C)cc1 ZINC000103337701 472627749 /nfs/dbraw/zinc/62/77/49/472627749.db2.gz VMASWQXBFVFKKY-UHFFFAOYSA-N 2 0 328.460 2.987 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000104178967 472658923 /nfs/dbraw/zinc/65/89/23/472658923.db2.gz UIPUHJRTLQZMPT-AWEZNQCLSA-N 2 0 348.491 2.941 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC[C@H]1CCCC[NH+]1C ZINC000072725181 472708971 /nfs/dbraw/zinc/70/89/71/472708971.db2.gz NQCAHWCXUXMNSL-QGZVFWFLSA-N 2 0 328.460 2.693 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495516 472753453 /nfs/dbraw/zinc/75/34/53/472753453.db2.gz SFOATWSABCBJNM-UHFFFAOYSA-N 2 0 335.451 2.805 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000106290665 472836409 /nfs/dbraw/zinc/83/64/09/472836409.db2.gz WSOKOPKHCQRAHJ-LJQANCHMSA-N 2 0 329.488 2.836 20 30 EFEDRP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121834024 472924621 /nfs/dbraw/zinc/92/46/21/472924621.db2.gz OGRTUURRBZEKIR-HXUWFJFHSA-N 2 0 348.535 2.629 20 30 EFEDRP C=C(C)C[N@@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000051559885 473055937 /nfs/dbraw/zinc/05/59/37/473055937.db2.gz DPNKHCHUXKJATI-UHFFFAOYSA-N 2 0 343.515 2.927 20 30 EFEDRP C#CCOc1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735110 473136115 /nfs/dbraw/zinc/13/61/15/473136115.db2.gz XHZCHYHNJMOWFB-UHFFFAOYSA-N 2 0 342.483 2.775 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000125876492 473467053 /nfs/dbraw/zinc/46/70/53/473467053.db2.gz LTKLHYBAJFLAID-UHFFFAOYSA-N 2 0 340.515 2.618 20 30 EFEDRP C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125955859 473474587 /nfs/dbraw/zinc/47/45/87/473474587.db2.gz ZQQDQBOBEGXOHE-IEBWSBKVSA-N 2 0 329.488 2.664 20 30 EFEDRP C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697092 473491239 /nfs/dbraw/zinc/49/12/39/473491239.db2.gz PHYRUFBBZAGJCJ-BPAFIMBUSA-N 2 0 327.472 2.834 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185782236 473512577 /nfs/dbraw/zinc/51/25/77/473512577.db2.gz NWNVBBBTDGFPTC-WIYYLYMNSA-N 2 0 340.515 2.996 20 30 EFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000186056022 473580673 /nfs/dbraw/zinc/58/06/73/473580673.db2.gz DRQKNEGKWLQMCW-KRWDZBQOSA-N 2 0 329.488 2.957 20 30 EFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1 ZINC000115628399 473588372 /nfs/dbraw/zinc/58/83/72/473588372.db2.gz PGUCODBBIAAXTE-WIYYLYMNSA-N 2 0 344.499 2.925 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179738662 473714729 /nfs/dbraw/zinc/71/47/29/473714729.db2.gz QDVZJFVJDSADHW-UHFFFAOYSA-N 2 0 339.443 2.733 20 30 EFEDRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000180063026 473788667 /nfs/dbraw/zinc/78/86/67/473788667.db2.gz RQSCEKKFYQXRQD-INIZCTEOSA-N 2 0 337.471 2.780 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246277651 473814177 /nfs/dbraw/zinc/81/41/77/473814177.db2.gz BEUPYTQVAVMCBO-FXAWDEMLSA-N 2 0 345.487 2.664 20 30 EFEDRP Cn1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180188292 473822302 /nfs/dbraw/zinc/82/23/02/473822302.db2.gz GLKOZUYJWRNBOJ-GOSISDBHSA-N 2 0 349.482 2.876 20 30 EFEDRP COc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ccc1C#N ZINC000281812622 473845392 /nfs/dbraw/zinc/84/53/92/473845392.db2.gz WEDXTFMGLJHPJK-UHFFFAOYSA-N 2 0 339.439 2.797 20 30 EFEDRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280560 473846337 /nfs/dbraw/zinc/84/63/37/473846337.db2.gz AYJIUBMWQKMDNR-RBUKOAKNSA-N 2 0 337.471 2.921 20 30 EFEDRP CC(C)[NH+]1CCC(N2CCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000269693266 473863672 /nfs/dbraw/zinc/86/36/72/473863672.db2.gz WQLHMNIAYNODDW-UHFFFAOYSA-N 2 0 344.478 2.688 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+]2CCCC2)cc1OC ZINC000264123005 473951832 /nfs/dbraw/zinc/95/18/32/473951832.db2.gz RLXQGYQLAGPXEK-MRXNPFEDSA-N 2 0 348.491 2.941 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264481201 474009158 /nfs/dbraw/zinc/00/91/58/474009158.db2.gz LKHWMAOERIZNSV-UHFFFAOYSA-N 2 0 327.472 2.663 20 30 EFEDRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])Nc2cc(F)ccc2F)cc1 ZINC000288728498 474034319 /nfs/dbraw/zinc/03/43/19/474034319.db2.gz NDBKVZWQAANHBA-UHFFFAOYSA-N 2 0 348.397 2.832 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181492772 474041162 /nfs/dbraw/zinc/04/11/62/474041162.db2.gz FBMXIIATCNACAG-SFHVURJKSA-N 2 0 344.503 2.657 20 30 EFEDRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774216 474063374 /nfs/dbraw/zinc/06/33/74/474063374.db2.gz SQSHEYOAEUOYIN-SJORKVTESA-N 2 0 343.471 2.740 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271893 474138753 /nfs/dbraw/zinc/13/87/53/474138753.db2.gz HWNWJUPYNNDOMH-IERDGZPVSA-N 2 0 335.451 2.976 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000236668695 474279627 /nfs/dbraw/zinc/27/96/27/474279627.db2.gz WXUFZMBYYMHEDQ-UXHICEINSA-N 2 0 341.499 2.516 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275698565 474285901 /nfs/dbraw/zinc/28/59/01/474285901.db2.gz SHYSHTKVVDXRFP-UHFFFAOYSA-N 2 0 344.503 2.953 20 30 EFEDRP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290143478 474559230 /nfs/dbraw/zinc/55/92/30/474559230.db2.gz KTWDEHDBOKKSAG-QGZVFWFLSA-N 2 0 328.504 2.841 20 30 EFEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000272009528 474600019 /nfs/dbraw/zinc/60/00/19/474600019.db2.gz JYDIPUSHBCJBMT-UHFFFAOYSA-N 2 0 344.503 2.689 20 30 EFEDRP CC(C)CNC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267232946 474624771 /nfs/dbraw/zinc/62/47/71/474624771.db2.gz AQUQYJZVPNLOMZ-UHFFFAOYSA-N 2 0 346.519 2.618 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654390 474758056 /nfs/dbraw/zinc/75/80/56/474758056.db2.gz SSITYCIWHRWDNN-QZTJIDSGSA-N 2 0 330.472 2.850 20 30 EFEDRP COCC[NH+](CCOC)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000285635947 475034453 /nfs/dbraw/zinc/03/44/53/475034453.db2.gz YYTUGRACVHRIRP-QGZVFWFLSA-N 2 0 345.487 2.678 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460269 475039193 /nfs/dbraw/zinc/03/91/93/475039193.db2.gz ZMMBBRTUSRWPLX-IPMKNSEASA-N 2 0 348.535 2.611 20 30 EFEDRP C#CC[NH+](C)CCCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000293951262 475059289 /nfs/dbraw/zinc/05/92/89/475059289.db2.gz KAMRXVSRSSINLD-UHFFFAOYSA-N 2 0 329.488 2.602 20 30 EFEDRP CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329763442 475127075 /nfs/dbraw/zinc/12/70/75/475127075.db2.gz UNDGBUNEZIANSD-MRXNPFEDSA-N 2 0 327.432 2.764 20 30 EFEDRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330229575 475215454 /nfs/dbraw/zinc/21/54/54/475215454.db2.gz QDLLFKSETCYDEN-LJQANCHMSA-N 2 0 343.471 2.858 20 30 EFEDRP C[NH+](C)CC1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCC1 ZINC000262387509 475229445 /nfs/dbraw/zinc/22/94/45/475229445.db2.gz QHZPZLIZWJTKDN-MRXNPFEDSA-N 2 0 330.476 2.537 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)C(C)C ZINC000339934291 475622314 /nfs/dbraw/zinc/62/23/14/475622314.db2.gz OUMHNNPPBADIST-SFHVURJKSA-N 2 0 326.444 2.763 20 30 EFEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000352902718 475664571 /nfs/dbraw/zinc/66/45/71/475664571.db2.gz QHJYRBCITSBJOP-MRXNPFEDSA-N 2 0 349.548 2.536 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920819 475666450 /nfs/dbraw/zinc/66/64/50/475666450.db2.gz AUZFCSKAHKIFGB-XNMUZJSGSA-N 2 0 344.499 2.712 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920818 475667208 /nfs/dbraw/zinc/66/72/08/475667208.db2.gz AUZFCSKAHKIFGB-JIRNRHONSA-N 2 0 344.499 2.712 20 30 EFEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353268636 475820126 /nfs/dbraw/zinc/82/01/26/475820126.db2.gz RIPQKTCJULOIAR-LJQANCHMSA-N 2 0 336.439 2.671 20 30 EFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353500641 476023436 /nfs/dbraw/zinc/02/34/36/476023436.db2.gz GMOSBHZCKQJSRK-SFHVURJKSA-N 2 0 326.488 2.849 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350951664 476318231 /nfs/dbraw/zinc/31/82/31/476318231.db2.gz QORZYKJGKICIME-MRXNPFEDSA-N 2 0 349.544 2.925 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)C ZINC000354068997 476403769 /nfs/dbraw/zinc/40/37/69/476403769.db2.gz WCRRMWVMGPDWFS-QRBPQYNOSA-N 2 0 347.547 2.955 20 30 EFEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840786 476420642 /nfs/dbraw/zinc/42/06/42/476420642.db2.gz OYUTWHKZDNECEE-OXJNMPFZSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000363642743 476472777 /nfs/dbraw/zinc/47/27/77/476472777.db2.gz DWOSQRFMASVTOU-CALCHBBNSA-N 2 0 327.472 2.879 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224395 476519279 /nfs/dbraw/zinc/51/92/79/476519279.db2.gz NXNYPAUROOKXKD-WBVHZDCISA-N 2 0 328.460 2.691 20 30 EFEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC000451981235 476759893 /nfs/dbraw/zinc/75/98/93/476759893.db2.gz IKUXIXALCURPLL-UHFFFAOYSA-N 2 0 333.907 2.697 20 30 EFEDRP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422990189 476880964 /nfs/dbraw/zinc/88/09/64/476880964.db2.gz NCPFRGPDSWBPNF-LXPRWKDFSA-N 2 0 331.460 2.592 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415135533 476909877 /nfs/dbraw/zinc/90/98/77/476909877.db2.gz WTFYABDNYCHJMC-WOJBJXKFSA-N 2 0 330.472 2.970 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000423187637 476958770 /nfs/dbraw/zinc/95/87/70/476958770.db2.gz YIYRFERHBSFFON-UHFFFAOYSA-N 2 0 326.488 2.774 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000424140733 477306064 /nfs/dbraw/zinc/30/60/64/477306064.db2.gz BQHLTMIIKQEAFN-IBGZPJMESA-N 2 0 342.487 2.700 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000424163079 477312923 /nfs/dbraw/zinc/31/29/23/477312923.db2.gz XIAXCMUTDZJSBX-SFHVURJKSA-N 2 0 328.460 2.675 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417541919 477456629 /nfs/dbraw/zinc/45/66/29/477456629.db2.gz SETMTZWAJMLLOL-LJQANCHMSA-N 2 0 344.503 2.806 20 30 EFEDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449223440 477494539 /nfs/dbraw/zinc/49/45/39/477494539.db2.gz JVOQWHMVEWZSLT-UHFFFAOYSA-N 2 0 342.487 2.540 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000532536578 477943364 /nfs/dbraw/zinc/94/33/64/477943364.db2.gz AXJVDDXDILRNKB-UHFFFAOYSA-N 2 0 342.487 2.939 20 30 EFEDRP CCOC1(C)CC[NH+](CC#CC[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000428720525 477967622 /nfs/dbraw/zinc/96/76/22/477967622.db2.gz KQVSFZGAIGKARP-UHFFFAOYSA-N 2 0 336.520 2.772 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532950161 478013129 /nfs/dbraw/zinc/01/31/29/478013129.db2.gz QBPYPUZNFWVAAI-INIZCTEOSA-N 2 0 342.487 2.937 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000441245938 478203043 /nfs/dbraw/zinc/20/30/43/478203043.db2.gz OCULWRLNOUTXOY-JENIJYKNSA-N 2 0 348.535 2.609 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600718591 478484012 /nfs/dbraw/zinc/48/40/12/478484012.db2.gz YMIJSZGZOUDPLC-PKOBYXMFSA-N 2 0 345.487 2.542 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)CC[NH2+]CC1 ZINC000591573348 478583441 /nfs/dbraw/zinc/58/34/41/478583441.db2.gz PJSFTDQHYJCNPN-ZDUSSCGKSA-N 2 0 349.862 2.623 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595056299 478642827 /nfs/dbraw/zinc/64/28/27/478642827.db2.gz UQMLXOYODPSGQE-PXNSSMCTSA-N 2 0 329.488 2.827 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595056300 478644137 /nfs/dbraw/zinc/64/41/37/478644137.db2.gz UQMLXOYODPSGQE-XLIONFOSSA-N 2 0 329.488 2.827 20 30 EFEDRP C#CCn1ccc(CN(CC)Cc2cc(-n3ccnc3)cs2)n1 ZINC000491813397 478692122 /nfs/dbraw/zinc/69/21/22/478692122.db2.gz ANXOMVVTWYBGFM-UHFFFAOYSA-N 2 0 325.441 2.786 20 30 EFEDRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595297089 478719246 /nfs/dbraw/zinc/71/92/46/478719246.db2.gz BCCUGGIEDTTXFQ-OALUTQOASA-N 2 0 340.515 2.591 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592470957 478906966 /nfs/dbraw/zinc/90/69/66/478906966.db2.gz PKSLDGMBAFSOJN-ZSBOJNDFSA-N 2 0 340.471 2.621 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000598617128 478928454 /nfs/dbraw/zinc/92/84/54/478928454.db2.gz PYQGRBCMRKVDIB-INIZCTEOSA-N 2 0 338.455 2.658 20 30 EFEDRP CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)N1CCc2ccccc2C1 ZINC000598701913 478980158 /nfs/dbraw/zinc/98/01/58/478980158.db2.gz ZSYFKPIRZJKTEI-MOPGFXCFSA-N 2 0 329.488 2.714 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000598718469 478989371 /nfs/dbraw/zinc/98/93/71/478989371.db2.gz BLOBGMTZPVWREA-RTBURBONSA-N 2 0 329.488 2.789 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565489268 479020499 /nfs/dbraw/zinc/02/04/99/479020499.db2.gz REKVKQXEUYILCV-LJQANCHMSA-N 2 0 341.499 2.665 20 30 EFEDRP C(#CC[N@@H+]1CC[C@@H](c2ccncc2)C1)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000567246150 479104362 /nfs/dbraw/zinc/10/43/62/479104362.db2.gz GYINUVGDTJYJLO-FGZHOGPDSA-N 2 0 346.478 2.759 20 30 EFEDRP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000598993503 479117855 /nfs/dbraw/zinc/11/78/55/479117855.db2.gz CUTJKQIXIJZYBI-KRWDZBQOSA-N 2 0 337.471 2.780 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320211 479293841 /nfs/dbraw/zinc/29/38/41/479293841.db2.gz AQXLJKLQHPUNTK-OXQOHEQNSA-N 2 0 326.488 2.500 20 30 EFEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390620 479365737 /nfs/dbraw/zinc/36/57/37/479365737.db2.gz LNZSQJVLGBVWFV-FQEVSTJZSA-N 2 0 326.488 2.553 20 30 EFEDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390433 479366253 /nfs/dbraw/zinc/36/62/53/479366253.db2.gz AIRPEJVRBLISMW-HXUWFJFHSA-N 2 0 326.488 2.551 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](C)CCC#N)cc2)CC1 ZINC000602512365 479375971 /nfs/dbraw/zinc/37/59/71/479375971.db2.gz AQYKIWBTZGPWEE-SFHVURJKSA-N 2 0 328.504 2.854 20 30 EFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000602525968 479381540 /nfs/dbraw/zinc/38/15/40/479381540.db2.gz UNHHHERWJJDJIL-QGZVFWFLSA-N 2 0 345.487 2.816 20 30 EFEDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000611465692 479387244 /nfs/dbraw/zinc/38/72/44/479387244.db2.gz CJOAOMQOXMTQPL-WMLDXEAASA-N 2 0 330.451 2.516 20 30 EFEDRP C[C@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000602594813 479414569 /nfs/dbraw/zinc/41/45/69/479414569.db2.gz TYZCEYMSTQJCJS-QGZVFWFLSA-N 2 0 342.487 2.542 20 30 EFEDRP Cc1cc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)nn1C ZINC000593725039 479435064 /nfs/dbraw/zinc/43/50/64/479435064.db2.gz ICFAYJXMPVDQNP-MRXNPFEDSA-N 2 0 337.471 2.915 20 30 EFEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000619508200 479815337 /nfs/dbraw/zinc/81/53/37/479815337.db2.gz LWONBQJXDQLGGB-FQEVSTJZSA-N 2 0 340.515 2.941 20 30 EFEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000619508201 479815524 /nfs/dbraw/zinc/81/55/24/479815524.db2.gz LWONBQJXDQLGGB-HXUWFJFHSA-N 2 0 340.515 2.941 20 30 EFEDRP C=C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638985552 480924747 /nfs/dbraw/zinc/92/47/47/480924747.db2.gz KSJNNZDOLINOQM-MRXNPFEDSA-N 2 0 336.439 2.790 20 30 EFEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648763046 481724097 /nfs/dbraw/zinc/72/40/97/481724097.db2.gz UUJIVGUSWDVOEJ-UXHICEINSA-N 2 0 330.472 2.984 20 30 EFEDRP C=CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC ZINC000661242510 482387659 /nfs/dbraw/zinc/38/76/59/482387659.db2.gz BLYYGOYZHJXGTG-IRXDYDNUSA-N 2 0 331.460 2.537 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000069892506 518268479 /nfs/dbraw/zinc/26/84/79/518268479.db2.gz DUXLYKKONRQLJV-KRWDZBQOSA-N 2 0 341.499 2.577 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171714432 526442666 /nfs/dbraw/zinc/44/26/66/526442666.db2.gz RNJZNLPNGLYOBO-LJQANCHMSA-N 2 0 341.499 2.665 20 30 EFEDRP C=CCN1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000177907445 526452203 /nfs/dbraw/zinc/45/22/03/526452203.db2.gz CISVKEGFAYCDIX-KRWDZBQOSA-N 2 0 331.504 2.928 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000187017232 528669485 /nfs/dbraw/zinc/66/94/85/528669485.db2.gz SNTXSLBAIVYNHA-XLIONFOSSA-N 2 0 345.487 2.664 20 30 EFEDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CC[NH+](C)CC1 ZINC000194262020 535020888 /nfs/dbraw/zinc/02/08/88/535020888.db2.gz ACYHLARIENXOOR-XLIONFOSSA-N 2 0 344.503 2.512 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262690494 535596906 /nfs/dbraw/zinc/59/69/06/535596906.db2.gz CDLLVLGGCQPKIT-HEHGZKQESA-N 2 0 338.858 2.724 20 30 EFEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762480837 576306548 /nfs/dbraw/zinc/30/65/48/576306548.db2.gz CRLPEPUXDHLVMA-IRXDYDNUSA-N 2 0 331.460 2.568 20 30 EFEDRP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752514547 1249753473 /nfs/dbraw/zinc/75/34/73/1249753473.db2.gz RXMPIVIEXFTRIO-GOSISDBHSA-N 2 0 347.547 2.833 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752813924 1251465532 /nfs/dbraw/zinc/46/55/32/1251465532.db2.gz BWDGZVQRFFZBKL-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001112382467 1252031457 /nfs/dbraw/zinc/03/14/57/1252031457.db2.gz ZNTCVKDWILEJER-NSHGMRRFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001112382466 1252032243 /nfs/dbraw/zinc/03/22/43/1252032243.db2.gz ZNTCVKDWILEJER-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683661 1252159142 /nfs/dbraw/zinc/15/91/42/1252159142.db2.gz CGCMNPMWUWONFP-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683868 1252166916 /nfs/dbraw/zinc/16/69/16/1252166916.db2.gz IGBKKPQKGCVJNJ-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825636 1254746230 /nfs/dbraw/zinc/74/62/30/1254746230.db2.gz VWLYSHLSZAUSRL-WMZOPIPTSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC000995982511 1254902360 /nfs/dbraw/zinc/90/23/60/1254902360.db2.gz AZYOFVIQQAHZMS-KRWDZBQOSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299984 1255184780 /nfs/dbraw/zinc/18/47/80/1255184780.db2.gz HWULHVLJTYLFHY-KXBFYZLASA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996524200 1255411712 /nfs/dbraw/zinc/41/17/12/1255411712.db2.gz NXSSBPFLBHBXCP-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996676414 1255725252 /nfs/dbraw/zinc/72/52/52/1255725252.db2.gz NGSQGEYPMVZPIW-CVEARBPZSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107409558 1255758160 /nfs/dbraw/zinc/75/81/60/1255758160.db2.gz YCWTZFBYZQRHDY-YLJYHZDGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436854 1255816360 /nfs/dbraw/zinc/81/63/60/1255816360.db2.gz UVUBNLUCBVTHMN-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444382 1255832416 /nfs/dbraw/zinc/83/24/16/1255832416.db2.gz DWGYWOOJUVIISR-SOLBZPMBSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567565 1256157159 /nfs/dbraw/zinc/15/71/59/1256157159.db2.gz ZHXJMQNJIFBICJ-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568384 1256158528 /nfs/dbraw/zinc/15/85/28/1256158528.db2.gz ZXSYRJGKDUKWTE-UYAOXDASSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646649 1256371061 /nfs/dbraw/zinc/37/10/61/1256371061.db2.gz ODVBSQQJAZHWCW-QWFCFKBJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000996909614 1256452646 /nfs/dbraw/zinc/45/26/46/1256452646.db2.gz FZRUJQSAOJLGEZ-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000996998323 1256652301 /nfs/dbraw/zinc/65/23/01/1256652301.db2.gz IIRDKUVOVJCPSO-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997061867 1256779568 /nfs/dbraw/zinc/77/95/68/1256779568.db2.gz KIHDCWGODIOEID-INIZCTEOSA-N 2 0 327.900 2.582 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000997119829 1256983354 /nfs/dbraw/zinc/98/33/54/1256983354.db2.gz KPRBOPAEWRIBQF-OAHLLOKOSA-N 2 0 347.528 2.663 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997202461 1257243481 /nfs/dbraw/zinc/24/34/81/1257243481.db2.gz GUMCLDXBQGSKSE-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997279379 1257338421 /nfs/dbraw/zinc/33/84/21/1257338421.db2.gz GRDMWQSMGRWGBV-OAHLLOKOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445789 1257483451 /nfs/dbraw/zinc/48/34/51/1257483451.db2.gz QSRDWFQEIYQEIH-GBESFXJTSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997386885 1257561756 /nfs/dbraw/zinc/56/17/56/1257561756.db2.gz VCIOOOAGLFUMJC-QGZVFWFLSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997394769 1257568685 /nfs/dbraw/zinc/56/86/85/1257568685.db2.gz BXFOVIRKLSDNKM-OAHLLOKOSA-N 2 0 330.476 2.554 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997431584 1257595770 /nfs/dbraw/zinc/59/57/70/1257595770.db2.gz PFRTUYKVMBPWNP-QGZVFWFLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997595272 1258077450 /nfs/dbraw/zinc/07/74/50/1258077450.db2.gz ASQPZPGESFBAQS-YTQUADARSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000997598425 1258082974 /nfs/dbraw/zinc/08/29/74/1258082974.db2.gz KFYKBVOGADHDAW-AWEZNQCLSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997618618 1258121346 /nfs/dbraw/zinc/12/13/46/1258121346.db2.gz PLPUOKOJQBNOTM-QFBILLFUSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC(=C)C)CC2)CC1 ZINC000997873914 1258557410 /nfs/dbraw/zinc/55/74/10/1258557410.db2.gz GVKPQCNMZMXKAV-SFHVURJKSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007972 1258934514 /nfs/dbraw/zinc/93/45/14/1258934514.db2.gz PYVVTHHAYFYJMN-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998007975 1258934563 /nfs/dbraw/zinc/93/45/63/1258934563.db2.gz PYVVTHHAYFYJMN-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006219 1258935978 /nfs/dbraw/zinc/93/59/78/1258935978.db2.gz JHNIEBVEHWMENG-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643005 1258955228 /nfs/dbraw/zinc/95/52/28/1258955228.db2.gz QBVJIMIDVZLTNT-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018282 1258967558 /nfs/dbraw/zinc/96/75/58/1258967558.db2.gz OKKWQAHNXOWMBO-CEXWTWQISA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC000998051897 1259033629 /nfs/dbraw/zinc/03/36/29/1259033629.db2.gz NQVDBOOYOHFKHV-MSOLQXFVSA-N 2 0 344.503 2.725 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000998051903 1259034709 /nfs/dbraw/zinc/03/47/09/1259034709.db2.gz NQVDBOOYOHFKHV-ROUUACIJSA-N 2 0 344.503 2.725 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998090842 1259096520 /nfs/dbraw/zinc/09/65/20/1259096520.db2.gz BOAYRVNPUYPUPE-PMACEKPBSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101595 1259111559 /nfs/dbraw/zinc/11/15/59/1259111559.db2.gz JAGKAVMCCRAYHZ-IRXDYDNUSA-N 2 0 341.927 2.926 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000998152106 1259166754 /nfs/dbraw/zinc/16/67/54/1259166754.db2.gz XVKCDDRQVXQFOA-HXUWFJFHSA-N 2 0 341.499 2.698 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164805 1259181068 /nfs/dbraw/zinc/18/10/68/1259181068.db2.gz KEYJWLBEFIWLBU-HXUWFJFHSA-N 2 0 347.547 2.833 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@H+](CCC=C)CC2)CC1 ZINC000998200083 1259231285 /nfs/dbraw/zinc/23/12/85/1259231285.db2.gz SMWYMIDNBWLRNA-FQEVSTJZSA-N 2 0 345.531 2.611 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001112539997 1260403001 /nfs/dbraw/zinc/40/30/01/1260403001.db2.gz ALFACKMXCPVBJD-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC001168667477 1261383941 /nfs/dbraw/zinc/38/39/41/1261383941.db2.gz VOAXGFJMRNSDDX-IBGZPJMESA-N 2 0 344.503 2.521 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904568 1261723906 /nfs/dbraw/zinc/72/39/06/1261723906.db2.gz JYVCZOUOURVYNN-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800475 1261768373 /nfs/dbraw/zinc/76/83/73/1261768373.db2.gz KKGKRXNDFFHOMO-ROUUACIJSA-N 2 0 327.472 2.613 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768063 1262301418 /nfs/dbraw/zinc/30/14/18/1262301418.db2.gz MKBYSLDQYSGXLS-ZWKOTPCHSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078786393 1262345661 /nfs/dbraw/zinc/34/56/61/1262345661.db2.gz VDTIOHXKMZOOEW-CVEARBPZSA-N 2 0 348.878 2.531 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001486201161 1262784738 /nfs/dbraw/zinc/78/47/38/1262784738.db2.gz QYLCKQAIALBNRZ-HOTGVXAUSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346220 1263846538 /nfs/dbraw/zinc/84/65/38/1263846538.db2.gz BJYJXZMBQKEJJV-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405451 1263914195 /nfs/dbraw/zinc/91/41/95/1263914195.db2.gz NVGMIOMRUZWJDN-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469570 1263941177 /nfs/dbraw/zinc/94/11/77/1263941177.db2.gz BNTMMXURKFOKGZ-SJLPKXTDSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002825171 1264128088 /nfs/dbraw/zinc/12/80/88/1264128088.db2.gz WCBSQJIARMHJEE-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751773 1264312334 /nfs/dbraw/zinc/31/23/34/1264312334.db2.gz CKKCCECFNOFHDZ-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766912 1264361358 /nfs/dbraw/zinc/36/13/58/1264361358.db2.gz WKECMUMAXLTPAE-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001084863076 1264554138 /nfs/dbraw/zinc/55/41/38/1264554138.db2.gz SPNMIZYFLPTYRB-SJLPKXTDSA-N 2 0 345.487 2.844 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944251 1264717116 /nfs/dbraw/zinc/71/71/16/1264717116.db2.gz BZCMZWISCGQHDJ-KSZLIROESA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003371908 1264718746 /nfs/dbraw/zinc/71/87/46/1264718746.db2.gz GUMLMAUMHHUOFX-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014242 1264925702 /nfs/dbraw/zinc/92/57/02/1264925702.db2.gz NUVBPZZLQKUSTL-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014186 1264927072 /nfs/dbraw/zinc/92/70/72/1264927072.db2.gz KEVUQCRFAODKSJ-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049765 1265029869 /nfs/dbraw/zinc/02/98/69/1265029869.db2.gz XVWHNLIYKKSTGA-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049706 1265030609 /nfs/dbraw/zinc/03/06/09/1265030609.db2.gz SXGZGXUBKSGCGL-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072587 1265076468 /nfs/dbraw/zinc/07/64/68/1265076468.db2.gz IKSAATKDYQGBER-AABGKKOBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080885 1266446516 /nfs/dbraw/zinc/44/65/16/1266446516.db2.gz DYHWMYAWVJFVKG-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273038549 1266533597 /nfs/dbraw/zinc/53/35/97/1266533597.db2.gz FDRRZQLEOUCKSO-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039073 1266543998 /nfs/dbraw/zinc/54/39/98/1266543998.db2.gz MPFBFSVACOWCAD-SFHVURJKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592730 1266587772 /nfs/dbraw/zinc/58/77/72/1266587772.db2.gz WLTSUMWQFSYPII-HDICACEKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225444 1266862033 /nfs/dbraw/zinc/86/20/33/1266862033.db2.gz WDNAPRAVYCWXJF-QRVBRYPASA-N 2 0 333.520 2.987 20 30 EFEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171068755 1278288805 /nfs/dbraw/zinc/28/88/05/1278288805.db2.gz GJAGCIYQUOSPHR-SJORKVTESA-N 2 0 329.504 2.897 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004431419 1266992583 /nfs/dbraw/zinc/99/25/83/1266992583.db2.gz XLWSASOHSOANFS-VQTJNVASSA-N 2 0 345.531 2.586 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004444923 1267015648 /nfs/dbraw/zinc/01/56/48/1267015648.db2.gz CENQQWCKWBDFNO-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004447496 1267028517 /nfs/dbraw/zinc/02/85/17/1267028517.db2.gz SPQMHLBBFJTERW-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004448781 1267031024 /nfs/dbraw/zinc/03/10/24/1267031024.db2.gz FRALDRAZECBONO-MISYRCLQSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004454870 1267080192 /nfs/dbraw/zinc/08/01/92/1267080192.db2.gz APRCZQQLDIUKGO-LJQANCHMSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004455915 1267082383 /nfs/dbraw/zinc/08/23/83/1267082383.db2.gz BXYBKLMEOUQHNK-UXHICEINSA-N 2 0 345.531 2.586 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456728 1267085063 /nfs/dbraw/zinc/08/50/63/1267085063.db2.gz HDUFZNHIXOTYQD-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004463427 1267090412 /nfs/dbraw/zinc/09/04/12/1267090412.db2.gz KCTWHRCAWFELPB-MOPGFXCFSA-N 2 0 335.536 2.852 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621473 1267195036 /nfs/dbraw/zinc/19/50/36/1267195036.db2.gz ZQNLZKSMXLCEOC-HSALFYBXSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623978 1267221111 /nfs/dbraw/zinc/22/11/11/1267221111.db2.gz XALOQQUIQWXQPV-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004526340 1267225696 /nfs/dbraw/zinc/22/56/96/1267225696.db2.gz ZVRVGGNOHPDEIY-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004527971 1267226836 /nfs/dbraw/zinc/22/68/36/1267226836.db2.gz MXBCXLDRKPELPO-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004527983 1267226868 /nfs/dbraw/zinc/22/68/68/1267226868.db2.gz MXBCXLDRKPELPO-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004545369 1267263578 /nfs/dbraw/zinc/26/35/78/1267263578.db2.gz ZGZXIORHTGWPMA-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004545620 1267266328 /nfs/dbraw/zinc/26/63/28/1267266328.db2.gz FCGQKPGNASDMHA-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004549246 1267274524 /nfs/dbraw/zinc/27/45/24/1267274524.db2.gz VTSVBUGDBOVGCR-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004549417 1267275203 /nfs/dbraw/zinc/27/52/03/1267275203.db2.gz ZBOOISUMRKUSAW-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595183 1267360855 /nfs/dbraw/zinc/36/08/55/1267360855.db2.gz GCHAAKCEKDNAHN-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619027 1267412628 /nfs/dbraw/zinc/41/26/28/1267412628.db2.gz JKQDJMFPMNEGTP-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618963 1267412752 /nfs/dbraw/zinc/41/27/52/1267412752.db2.gz IPXLKODCAWOBKW-FQEVSTJZSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)CC1 ZINC001085432498 1267458621 /nfs/dbraw/zinc/45/86/21/1267458621.db2.gz AUDWGEIIRFUDAJ-WOJBJXKFSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657385 1267575448 /nfs/dbraw/zinc/57/54/48/1267575448.db2.gz IPPBSSOXIOYFIG-ZCNNSNEGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728813 1267807977 /nfs/dbraw/zinc/80/79/77/1267807977.db2.gz OMLFADADVNLSJA-HSALFYBXSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639969 1268097111 /nfs/dbraw/zinc/09/71/11/1268097111.db2.gz ZOLKHCRUOMBRFC-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001273127156 1268652394 /nfs/dbraw/zinc/65/23/94/1268652394.db2.gz XNZORQUUZDOOIM-CTNGQTDRSA-N 2 0 345.531 2.918 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273127986 1268684353 /nfs/dbraw/zinc/68/43/53/1268684353.db2.gz NBOZATBBHINLEJ-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808311 1268774480 /nfs/dbraw/zinc/77/44/80/1268774480.db2.gz NTOTXZNWCGJKLB-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818399 1268861667 /nfs/dbraw/zinc/86/16/67/1268861667.db2.gz JOSOSPIUWNCRSV-YRPNKDGESA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419498 1269122202 /nfs/dbraw/zinc/12/22/02/1269122202.db2.gz ACNHISDHGLJLLO-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572336 1269471219 /nfs/dbraw/zinc/47/12/19/1269471219.db2.gz UWHQKZUTOMGTJF-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006280241 1269664915 /nfs/dbraw/zinc/66/49/15/1269664915.db2.gz XEUGBBFEPIWOBT-LJQANCHMSA-N 2 0 333.520 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001410846005 1269792477 /nfs/dbraw/zinc/79/24/77/1269792477.db2.gz DRNCSWBJNTWQLI-HZPDHXFCSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086158898 1270231732 /nfs/dbraw/zinc/23/17/32/1270231732.db2.gz BJUUPALTKMRBMP-WOVMCDHWSA-N 2 0 349.906 2.641 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832402 1270293554 /nfs/dbraw/zinc/29/35/54/1270293554.db2.gz FGHUFYMMULJUAC-AZUAARDMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001005391779 1270312588 /nfs/dbraw/zinc/31/25/88/1270312588.db2.gz UPKJFAZRWGSORQ-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005391768 1270312981 /nfs/dbraw/zinc/31/29/81/1270312981.db2.gz UPKJFAZRWGSORQ-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395116 1270333377 /nfs/dbraw/zinc/33/33/77/1270333377.db2.gz HWUCMFASTILUEP-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001005431245 1270486206 /nfs/dbraw/zinc/48/62/06/1270486206.db2.gz GEKFHYKKDXNMFT-UHFFFAOYSA-N 2 0 344.503 2.651 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005476783 1270638627 /nfs/dbraw/zinc/63/86/27/1270638627.db2.gz WAKLVGXQUUBBSB-UHFFFAOYSA-N 2 0 335.517 2.922 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012868 1270829800 /nfs/dbraw/zinc/82/98/00/1270829800.db2.gz QQEJFFOSSYCDSZ-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005505031 1271045226 /nfs/dbraw/zinc/04/52/26/1271045226.db2.gz XBRZKAQHEZBYPR-IBGZPJMESA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005505033 1271045468 /nfs/dbraw/zinc/04/54/68/1271045468.db2.gz XBRZKAQHEZBYPR-LJQANCHMSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086377768 1271216533 /nfs/dbraw/zinc/21/65/33/1271216533.db2.gz DBLLTNURIOXUQT-MQMHXKEQSA-N 2 0 341.908 2.660 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001752942210 1271223668 /nfs/dbraw/zinc/22/36/68/1271223668.db2.gz ZAZNNNTVTSWKIZ-PKOBYXMFSA-N 2 0 335.536 2.737 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948711038 1271250648 /nfs/dbraw/zinc/25/06/48/1271250648.db2.gz KPMBRKAZFCTRMD-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211851 1271366119 /nfs/dbraw/zinc/36/61/19/1271366119.db2.gz PCNCHKWMAIHKIB-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C)[NH+](C)C ZINC001411212373 1272012499 /nfs/dbraw/zinc/01/24/99/1272012499.db2.gz BBYDWZNHHJYLGW-ZWKOTPCHSA-N 2 0 344.503 2.519 20 30 EFEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034479688 1272082013 /nfs/dbraw/zinc/08/20/13/1272082013.db2.gz APLOXTRDZXEVNM-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034480728 1272087698 /nfs/dbraw/zinc/08/76/98/1272087698.db2.gz NBSQIDIVVSPSJI-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108325037 1272246991 /nfs/dbraw/zinc/24/69/91/1272246991.db2.gz KLLRINFXTWJAMK-IBGZPJMESA-N 2 0 341.540 2.506 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357125 1272301422 /nfs/dbraw/zinc/30/14/22/1272301422.db2.gz YEKCKFAIXVOVLN-LJQANCHMSA-N 2 0 341.540 2.506 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(Cl)cccc1C#N ZINC001143726258 1278716772 /nfs/dbraw/zinc/71/67/72/1278716772.db2.gz JTJHQMPBDMTVGY-UHFFFAOYSA-N 2 0 336.911 2.917 20 30 EFEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092126 1272670426 /nfs/dbraw/zinc/67/04/26/1272670426.db2.gz YAVAQKAKWZEFKA-MZADTFQBSA-N 2 0 338.499 2.737 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001034755327 1272864708 /nfs/dbraw/zinc/86/47/08/1272864708.db2.gz CBFVYNYLRLYPEG-WGSAOQKQSA-N 2 0 329.488 2.955 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733864 1273421871 /nfs/dbraw/zinc/42/18/71/1273421871.db2.gz JFLKFCVEFJZAIZ-BJLQDIEVSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734367 1273424607 /nfs/dbraw/zinc/42/46/07/1273424607.db2.gz RMQIOHWRQHUZAS-BZSNNMDCSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749498 1273445747 /nfs/dbraw/zinc/44/57/47/1273445747.db2.gz CFXYSXIWFDOWHK-XIRDDKMYSA-N 2 0 331.460 2.500 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749768 1273446078 /nfs/dbraw/zinc/44/60/78/1273446078.db2.gz KUBDHIRMEKCTHY-SZMVWBNQSA-N 2 0 345.487 2.890 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764392 1273467669 /nfs/dbraw/zinc/46/76/69/1273467669.db2.gz KQDGYFVBIPPSLY-XHSDSOJGSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765385 1273468943 /nfs/dbraw/zinc/46/89/43/1273468943.db2.gz PHURPINZTCRUML-KSZLIROESA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001108798865 1273491173 /nfs/dbraw/zinc/49/11/73/1273491173.db2.gz IBSDQVVTSBKJBZ-BBWFWOEESA-N 2 0 342.487 2.697 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799984 1273493599 /nfs/dbraw/zinc/49/35/99/1273493599.db2.gz WLUDKIYVXCWBDQ-OTWHNJEPSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828399 1273538837 /nfs/dbraw/zinc/53/88/37/1273538837.db2.gz OHSFGCOLDRAGNA-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184399 1273750861 /nfs/dbraw/zinc/75/08/61/1273750861.db2.gz JPEGALGBACNQMY-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184273 1273751120 /nfs/dbraw/zinc/75/11/20/1273751120.db2.gz GAVDZTZHVDPNRP-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035198774 1273766896 /nfs/dbraw/zinc/76/68/96/1273766896.db2.gz DKPQJFPKZHWKSU-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203818 1273778080 /nfs/dbraw/zinc/77/80/80/1273778080.db2.gz QGRJBLILLPLNCU-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035205782 1273784552 /nfs/dbraw/zinc/78/45/52/1273784552.db2.gz WPAIALHOQRVVCS-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193622 1273815349 /nfs/dbraw/zinc/81/53/49/1273815349.db2.gz JJMMDSZJRKELCI-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035195797 1273823317 /nfs/dbraw/zinc/82/33/17/1273823317.db2.gz KJJPYNBQDMCTEM-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035226373 1273843727 /nfs/dbraw/zinc/84/37/27/1273843727.db2.gz HCSHZXVNGOUFDB-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212952 1273868253 /nfs/dbraw/zinc/86/82/53/1273868253.db2.gz QAJIITWGZXUMCI-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035212949 1273868670 /nfs/dbraw/zinc/86/86/70/1273868670.db2.gz QAJIITWGZXUMCI-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233787 1273887546 /nfs/dbraw/zinc/88/75/46/1273887546.db2.gz MNFXBRDSMHBXES-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239745 1273906202 /nfs/dbraw/zinc/90/62/02/1273906202.db2.gz ZSAAGSVZAGZHCF-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244514 1273915547 /nfs/dbraw/zinc/91/55/47/1273915547.db2.gz PTVLCSBKBWCTBS-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035256637 1273945898 /nfs/dbraw/zinc/94/58/98/1273945898.db2.gz LAMDNAZRQLMJMA-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035733008 1274424034 /nfs/dbraw/zinc/42/40/34/1274424034.db2.gz KXTJZNYNCDXXRZ-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035823453 1274518543 /nfs/dbraw/zinc/51/85/43/1274518543.db2.gz FOWFXZJLWKUGFG-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836624 1274574419 /nfs/dbraw/zinc/57/44/19/1274574419.db2.gz LRXWHQUYFBXNCY-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035856956 1274605453 /nfs/dbraw/zinc/60/54/53/1274605453.db2.gz GSMOJVJNOXQHNL-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035857916 1274608089 /nfs/dbraw/zinc/60/80/89/1274608089.db2.gz NEKQBAQIEHPOHV-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001036028850 1274902222 /nfs/dbraw/zinc/90/22/22/1274902222.db2.gz GIGHWBPJIYKEOY-HOCLYGCPSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001036048720 1274968557 /nfs/dbraw/zinc/96/85/57/1274968557.db2.gz NMVCHKJEUMYHOL-ZBFHGGJFSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001110040626 1275037000 /nfs/dbraw/zinc/03/70/00/1275037000.db2.gz XSPKKYQNHZDYFB-JKBKZWBZSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001036097429 1275089738 /nfs/dbraw/zinc/08/97/38/1275089738.db2.gz SRVQJZWPPPOFAP-KSSFIOAISA-N 2 0 326.444 2.659 20 30 EFEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001112547500 1275113104 /nfs/dbraw/zinc/11/31/04/1275113104.db2.gz VWADNLGKVZEMPJ-FPOVZHCZSA-N 2 0 347.547 2.740 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001112555540 1275152073 /nfs/dbraw/zinc/15/20/73/1275152073.db2.gz XXRYWFPHBRCEAS-FPOVZHCZSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112565513 1275198420 /nfs/dbraw/zinc/19/84/20/1275198420.db2.gz GDZKNNXTKNDTPT-ICSRJNTNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001036242372 1275277262 /nfs/dbraw/zinc/27/72/62/1275277262.db2.gz VFVMMSKHCAPFCG-YOEHRIQHSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578956 1275287157 /nfs/dbraw/zinc/28/71/57/1275287157.db2.gz PHGJKQCGTRUVRM-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001112585661 1275310051 /nfs/dbraw/zinc/31/00/51/1275310051.db2.gz KSSPYQBZFOCEFX-NSHGMRRFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001036302075 1275382534 /nfs/dbraw/zinc/38/25/34/1275382534.db2.gz HUJJMBNMHBDPOC-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001036302077 1275383396 /nfs/dbraw/zinc/38/33/96/1275383396.db2.gz HUJJMBNMHBDPOC-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855126 1276111068 /nfs/dbraw/zinc/11/10/68/1276111068.db2.gz LJMIREVJXATSBT-OALUTQOASA-N 2 0 335.536 2.975 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001112855133 1276111100 /nfs/dbraw/zinc/11/11/00/1276111100.db2.gz LTTYPTDYEVAMRC-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991775 1276281104 /nfs/dbraw/zinc/28/11/04/1276281104.db2.gz JNROAYXBMHUTRW-RTBURBONSA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH+](CC)CC1 ZINC001273145756 1276310728 /nfs/dbraw/zinc/31/07/28/1276310728.db2.gz YDIPSFLZILJVBQ-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273145866 1276312343 /nfs/dbraw/zinc/31/23/43/1276312343.db2.gz ZJNBSQJAMKHUCG-GOSISDBHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112964472 1276349431 /nfs/dbraw/zinc/34/94/31/1276349431.db2.gz XSXMOSGFJMDVHG-LJQANCHMSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CC[C@@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccncc1 ZINC000817893893 1276362865 /nfs/dbraw/zinc/36/28/65/1276362865.db2.gz HHVHRXNAPCGWNF-NVXWUHKLSA-N 2 0 331.460 2.610 20 30 EFEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000817934726 1276381452 /nfs/dbraw/zinc/38/14/52/1276381452.db2.gz BSTAESWQAFEDEA-MRXNPFEDSA-N 2 0 337.895 2.764 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001113010663 1276484349 /nfs/dbraw/zinc/48/43/49/1276484349.db2.gz HLSQSHNKNXOSEX-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086819956 1276501995 /nfs/dbraw/zinc/50/19/95/1276501995.db2.gz INRROSIAJIJJNJ-GVDBMIGSSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001170896671 1276502403 /nfs/dbraw/zinc/50/24/03/1276502403.db2.gz ZARQCBUUHIJLSJ-YJBOKZPZSA-N 2 0 347.507 2.631 20 30 EFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818962126 1276550539 /nfs/dbraw/zinc/55/05/39/1276550539.db2.gz YVIPWGWLCVZANM-MBOZVWFJSA-N 2 0 329.488 2.939 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000818954413 1276557100 /nfs/dbraw/zinc/55/71/00/1276557100.db2.gz VIZZPLDYHLMRRC-NRFANRHFSA-N 2 0 335.451 2.977 20 30 EFEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873084 1276562038 /nfs/dbraw/zinc/56/20/38/1276562038.db2.gz JGPWFBJDKFGWKF-LJQANCHMSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810275 1287237303 /nfs/dbraw/zinc/23/73/03/1287237303.db2.gz XAVWMJJTVIGZLC-OLZOCXBDSA-N 2 0 334.851 2.882 20 30 EFEDRP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001174962345 1287271018 /nfs/dbraw/zinc/27/10/18/1287271018.db2.gz SWRCFLCSCDZVCB-LJQANCHMSA-N 2 0 343.515 2.645 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432290 1277831874 /nfs/dbraw/zinc/83/18/74/1277831874.db2.gz WYFMDUMEZGFYFB-KRWDZBQOSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609506 1279182326 /nfs/dbraw/zinc/18/23/26/1279182326.db2.gz KAIHTUUDBGWHCL-YZGWKJHDSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001091029771 1279357751 /nfs/dbraw/zinc/35/77/51/1279357751.db2.gz WLAJCEOCLHHNRQ-ADKAHSJRSA-N 2 0 333.520 2.702 20 30 EFEDRP [NH2+]=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171182991 1279648942 /nfs/dbraw/zinc/64/89/42/1279648942.db2.gz YWNUQTFJOUYNCX-UHFFFAOYSA-N 2 0 346.434 2.992 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262667 1287384168 /nfs/dbraw/zinc/38/41/68/1287384168.db2.gz JMWAUZLXGFWQCF-CRAIPNDOSA-N 2 0 327.488 2.650 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265525 1287385728 /nfs/dbraw/zinc/38/57/28/1287385728.db2.gz ZISVZKYYKJERIF-KRWDZBQOSA-N 2 0 331.504 2.855 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114262659 1280067500 /nfs/dbraw/zinc/06/75/00/1280067500.db2.gz IBVKFUJFRLDVHE-ZSYWTGECSA-N 2 0 335.536 2.876 20 30 EFEDRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001175315535 1287398641 /nfs/dbraw/zinc/39/86/41/1287398641.db2.gz GIMHPVUNUDITCU-APWZRJJASA-N 2 0 344.503 2.663 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304400 1280172833 /nfs/dbraw/zinc/17/28/33/1280172833.db2.gz QGKJHCXJIHRPCU-NTZUZEMLSA-N 2 0 335.536 2.734 20 30 EFEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086625120 1280343057 /nfs/dbraw/zinc/34/30/57/1280343057.db2.gz LVMHGOFOJUHBOC-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245589 1280417138 /nfs/dbraw/zinc/41/71/38/1280417138.db2.gz ABLXGPODVAAZED-MJGOQNOKSA-N 2 0 333.520 2.681 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245580 1280417446 /nfs/dbraw/zinc/41/74/46/1280417446.db2.gz ABLXGPODVAAZED-HKUYNNGSSA-N 2 0 333.520 2.681 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614626 1280951879 /nfs/dbraw/zinc/95/18/79/1280951879.db2.gz ZCMDHHYISXPTII-MSOLQXFVSA-N 2 0 347.547 2.785 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614629 1280952794 /nfs/dbraw/zinc/95/27/94/1280952794.db2.gz ZCMDHHYISXPTII-ZWKOTPCHSA-N 2 0 347.547 2.785 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146624968 1280957095 /nfs/dbraw/zinc/95/70/95/1280957095.db2.gz SPIOBWJKABEIIO-HUUCEWRRSA-N 2 0 337.895 2.987 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702286 1280982835 /nfs/dbraw/zinc/98/28/35/1280982835.db2.gz UYGJBFOHEBZFNQ-CVEARBPZSA-N 2 0 329.916 2.878 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658689 1281231883 /nfs/dbraw/zinc/23/18/83/1281231883.db2.gz XKRDTUXNJFHXDE-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658690 1281232286 /nfs/dbraw/zinc/23/22/86/1281232286.db2.gz XKRDTUXNJFHXDE-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725026 1281248485 /nfs/dbraw/zinc/24/84/85/1281248485.db2.gz QLCQSFJCHQPWRF-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993656 1281395400 /nfs/dbraw/zinc/39/54/00/1281395400.db2.gz YTBAYONRVKPNPS-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291847 1281496682 /nfs/dbraw/zinc/49/66/82/1281496682.db2.gz DHBCFMDCNSNBBD-KRWDZBQOSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315547 1281514967 /nfs/dbraw/zinc/51/49/67/1281514967.db2.gz OJWGQAQAJWSPSI-KRWDZBQOSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604535 1281646468 /nfs/dbraw/zinc/64/64/68/1281646468.db2.gz IAXUVDHWDBNOKU-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148834051 1281760160 /nfs/dbraw/zinc/76/01/60/1281760160.db2.gz UMRJVCSCMGEDFQ-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148834052 1281760466 /nfs/dbraw/zinc/76/04/66/1281760466.db2.gz UMRJVCSCMGEDFQ-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785802 1287528534 /nfs/dbraw/zinc/52/85/34/1287528534.db2.gz OHGNQOOCVKFTPT-OALUTQOASA-N 2 0 347.547 2.929 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927498 1281926767 /nfs/dbraw/zinc/92/67/67/1281926767.db2.gz DKVHQOYJTXLQSO-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923374 1281935795 /nfs/dbraw/zinc/93/57/95/1281935795.db2.gz QJOONJIWBMDYJJ-HKUYNNGSSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086923798 1281937934 /nfs/dbraw/zinc/93/79/34/1281937934.db2.gz BNFOYHWOFIMKIA-RCCFBDPRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925477 1281944151 /nfs/dbraw/zinc/94/41/51/1281944151.db2.gz XZDSYEBCROCVLJ-FGTMMUONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925478 1281944905 /nfs/dbraw/zinc/94/49/05/1281944905.db2.gz XZDSYEBCROCVLJ-OKZBNKHCSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001086938646 1281965179 /nfs/dbraw/zinc/96/51/79/1281965179.db2.gz WTBQOSCBKYERMB-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939719 1281966985 /nfs/dbraw/zinc/96/69/85/1281966985.db2.gz YDUMYGXAMNNUTD-BZSNNMDCSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943205 1281975526 /nfs/dbraw/zinc/97/55/26/1281975526.db2.gz NWBONBLHTJPBAG-CVEARBPZSA-N 2 0 341.927 2.782 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928048 1281990052 /nfs/dbraw/zinc/99/00/52/1281990052.db2.gz UOIJZLNLDYAKSA-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776864 1282143184 /nfs/dbraw/zinc/14/31/84/1282143184.db2.gz OYVSQSDKKKMQCY-QUCCMNQESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131798941 1282350955 /nfs/dbraw/zinc/35/09/55/1282350955.db2.gz FJFYWEROUWGPNZ-UHFFFAOYSA-N 2 0 331.504 2.857 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071281 1282369143 /nfs/dbraw/zinc/36/91/43/1282369143.db2.gz OFNMYQBRUCXFAL-DYXWJJEUSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092189773 1282448760 /nfs/dbraw/zinc/44/87/60/1282448760.db2.gz JHOICJUQFGGVNW-DYXWJJEUSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100070 1287596751 /nfs/dbraw/zinc/59/67/51/1287596751.db2.gz ARTGLBOGKDBFIY-DLBZAZTESA-N 2 0 331.504 2.853 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092651547 1282881372 /nfs/dbraw/zinc/88/13/72/1282881372.db2.gz YDEHRDDQDHUXMR-GDBMZVCRSA-N 2 0 335.517 2.684 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676686 1282942616 /nfs/dbraw/zinc/94/26/16/1282942616.db2.gz IUMKRXHEDQGEMV-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP CSC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC[NH+](C)CC1 ZINC000810169983 1282965320 /nfs/dbraw/zinc/96/53/20/1282965320.db2.gz DEJZONFQUUISKC-UHFFFAOYSA-N 2 0 346.544 2.953 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036717700 1283225056 /nfs/dbraw/zinc/22/50/56/1283225056.db2.gz ZUOWSADULDYTPZ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093120801 1283263751 /nfs/dbraw/zinc/26/37/51/1283263751.db2.gz NZNCZYCCNIQWOU-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754288 1283419141 /nfs/dbraw/zinc/41/91/41/1283419141.db2.gz DIOPFNDXHCWDCI-LPHOPBHVSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754517 1283420616 /nfs/dbraw/zinc/42/06/16/1283420616.db2.gz HLXXQRWVHHNOLA-SJLPKXTDSA-N 2 0 333.520 2.748 20 30 EFEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419990 1283513156 /nfs/dbraw/zinc/51/31/56/1283513156.db2.gz LKISORJQMVJKLJ-MOPGFXCFSA-N 2 0 335.536 2.881 20 30 EFEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420602 1283515225 /nfs/dbraw/zinc/51/52/25/1283515225.db2.gz VQXVWGSJIYBVQS-MOPGFXCFSA-N 2 0 335.536 2.881 20 30 EFEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420603 1283516343 /nfs/dbraw/zinc/51/63/43/1283516343.db2.gz VQXVWGSJIYBVQS-OALUTQOASA-N 2 0 335.536 2.881 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426461 1283551739 /nfs/dbraw/zinc/55/17/39/1283551739.db2.gz XRVLHMCBPCUJDZ-QZTJIDSGSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426213 1283551756 /nfs/dbraw/zinc/55/17/56/1283551756.db2.gz UCMYZEWWHBITEM-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@H]21 ZINC001036779219 1283606307 /nfs/dbraw/zinc/60/63/07/1283606307.db2.gz GVHYQGSQDOHBGY-AZUAARDMSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793596 1283723716 /nfs/dbraw/zinc/72/37/16/1283723716.db2.gz HYXQXUGQVJKVJW-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC/C=C/CC)C2)CC1 ZINC001132518643 1283777454 /nfs/dbraw/zinc/77/74/54/1283777454.db2.gz MBUNGTBRALHSIV-KQPGTDLCSA-N 2 0 345.531 2.657 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093361538 1283784280 /nfs/dbraw/zinc/78/42/80/1283784280.db2.gz LPWXWOZHGXZKQG-MOPGFXCFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093361297 1283784351 /nfs/dbraw/zinc/78/43/51/1283784351.db2.gz JVIIEGOWBWLQTB-OALUTQOASA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001093371195 1283805364 /nfs/dbraw/zinc/80/53/64/1283805364.db2.gz LUUGOMDEGHQJFQ-OALUTQOASA-N 2 0 345.531 2.606 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001093377041 1283828148 /nfs/dbraw/zinc/82/81/48/1283828148.db2.gz FOEJCJRRVYREGX-XLIONFOSSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382962 1283853874 /nfs/dbraw/zinc/85/38/74/1283853874.db2.gz GSDUEMLICBKITE-HXUWFJFHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093384018 1283857916 /nfs/dbraw/zinc/85/79/16/1283857916.db2.gz SOTJZGYQLBAIEJ-MOPGFXCFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859152 1284336847 /nfs/dbraw/zinc/33/68/47/1284336847.db2.gz LALOSVSZXKMXMZ-OALUTQOASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859153 1284337825 /nfs/dbraw/zinc/33/78/25/1284337825.db2.gz LALOSVSZXKMXMZ-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859933 1284339809 /nfs/dbraw/zinc/33/98/09/1284339809.db2.gz XXRUINQCAOFYEP-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132869289 1284402448 /nfs/dbraw/zinc/40/24/48/1284402448.db2.gz HYGFHSNZSIJTIW-RDJZCZTQSA-N 2 0 347.528 2.521 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086696378 1284439806 /nfs/dbraw/zinc/43/98/06/1284439806.db2.gz HLQZSTJUSMFWRS-OKZBNKHCSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132922806 1284470705 /nfs/dbraw/zinc/47/07/05/1284470705.db2.gz AEEONOVKQZBMHZ-MSOLQXFVSA-N 2 0 333.520 2.513 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941006 1284497536 /nfs/dbraw/zinc/49/75/36/1284497536.db2.gz DJDBFTLZJUQLBD-MSOLQXFVSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950950 1284511184 /nfs/dbraw/zinc/51/11/84/1284511184.db2.gz SPYSDJRTLVZRMD-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973759 1284533076 /nfs/dbraw/zinc/53/30/76/1284533076.db2.gz QILBNOQQUJDRCM-FUHWJXTLSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973914 1284534153 /nfs/dbraw/zinc/53/41/53/1284534153.db2.gz SVIXMBGAKBRICV-AEFFLSMTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953395 1284534712 /nfs/dbraw/zinc/53/47/12/1284534712.db2.gz FMFWKQPWPFZSNG-WMZOPIPTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953174 1284535641 /nfs/dbraw/zinc/53/56/41/1284535641.db2.gz BZKSGHUNAPZEEW-CZUORRHYSA-N 2 0 346.862 2.775 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132955538 1284537605 /nfs/dbraw/zinc/53/76/05/1284537605.db2.gz SVTBFPKRLWOMGL-RDJZCZTQSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132974170 1284543559 /nfs/dbraw/zinc/54/35/59/1284543559.db2.gz XIUPQVYWXDMHLM-DOTOQJQBSA-N 2 0 326.444 2.598 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133015481 1284623048 /nfs/dbraw/zinc/62/30/48/1284623048.db2.gz FLJRQHOJTQICDZ-RTBURBONSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011374 1284654508 /nfs/dbraw/zinc/65/45/08/1284654508.db2.gz JAIRYHMTISVKMN-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133012442 1284655548 /nfs/dbraw/zinc/65/55/48/1284655548.db2.gz QZWAICLMEDPFQZ-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133031768 1284687004 /nfs/dbraw/zinc/68/70/04/1284687004.db2.gz SUTOGJZTYIABLS-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121976 1284832518 /nfs/dbraw/zinc/83/25/18/1284832518.db2.gz NCNQZMJGAYCEED-MSOLQXFVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133162521 1284916240 /nfs/dbraw/zinc/91/62/40/1284916240.db2.gz NHUVJFGVQICGPT-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162594 1284916793 /nfs/dbraw/zinc/91/67/93/1284916793.db2.gz OQOPURAYQHPQMB-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094413621 1285036971 /nfs/dbraw/zinc/03/69/71/1285036971.db2.gz GOPFEEIJNFKTDT-NLWGTHIKSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094420834 1285051494 /nfs/dbraw/zinc/05/14/94/1285051494.db2.gz DDMYQIAHZWVMBH-JRBPQWBISA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432880 1285076215 /nfs/dbraw/zinc/07/62/15/1285076215.db2.gz FZIBZCKLGJFLQR-QKNQBKEWSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094432881 1285077015 /nfs/dbraw/zinc/07/70/15/1285077015.db2.gz FZIBZCKLGJFLQR-SFHLNBCPSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528920 1285254650 /nfs/dbraw/zinc/25/46/50/1285254650.db2.gz BRUHEWHQJPWNBY-NLWGTHIKSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)[NH+](C)C ZINC001133399365 1285323954 /nfs/dbraw/zinc/32/39/54/1285323954.db2.gz KYDFHIZXTGPVST-QGZVFWFLSA-N 2 0 337.895 2.784 20 30 EFEDRP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001133392825 1285334586 /nfs/dbraw/zinc/33/45/86/1285334586.db2.gz PFYBRAHWIIQVPY-GOSISDBHSA-N 2 0 349.906 2.929 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC001094557388 1285371356 /nfs/dbraw/zinc/37/13/56/1285371356.db2.gz VMUSAQZGYJSWIF-TZIWHRDSSA-N 2 0 345.531 2.655 20 30 EFEDRP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH+](C)C ZINC001133410581 1285371344 /nfs/dbraw/zinc/37/13/44/1285371344.db2.gz OUPFVABYKKNWSR-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001133410752 1285373731 /nfs/dbraw/zinc/37/37/31/1285373731.db2.gz ZHXFAHYZMNXGPY-UHFFFAOYSA-N 2 0 335.879 2.540 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904108 1285391766 /nfs/dbraw/zinc/39/17/66/1285391766.db2.gz MQXHLORBNZFBRD-IAGOWNOFSA-N 2 0 339.911 2.538 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629265 1285661074 /nfs/dbraw/zinc/66/10/74/1285661074.db2.gz JPPXWOSODDQWBZ-HNNXBMFYSA-N 2 0 326.444 2.544 20 30 EFEDRP CC[C@H](C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](CC)CC ZINC001133684551 1285778228 /nfs/dbraw/zinc/77/82/28/1285778228.db2.gz JIZOCNMUCLJFEB-GOSISDBHSA-N 2 0 349.906 2.518 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171772649 1285779453 /nfs/dbraw/zinc/77/94/53/1285779453.db2.gz UKURYGKYTYQYAJ-INIZCTEOSA-N 2 0 341.459 2.722 20 30 EFEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158948990 1285809470 /nfs/dbraw/zinc/80/94/70/1285809470.db2.gz CPAHWSZJUURXDL-LJQANCHMSA-N 2 0 333.520 2.589 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171922887 1285922622 /nfs/dbraw/zinc/92/26/22/1285922622.db2.gz BIMRGPHQYIOQHL-SFHVURJKSA-N 2 0 335.536 2.786 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856615 1286031449 /nfs/dbraw/zinc/03/14/49/1286031449.db2.gz LITMJDMAQWHRHT-SFHVURJKSA-N 2 0 327.488 2.651 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001172319734 1286098348 /nfs/dbraw/zinc/09/83/48/1286098348.db2.gz QSXKEGKZCBKUEF-GOSISDBHSA-N 2 0 330.520 2.695 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179134924 1289053080 /nfs/dbraw/zinc/05/30/80/1289053080.db2.gz XBWSGFROTPYMNH-UHFFFAOYSA-N 2 0 335.536 2.788 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001094954596 1286291812 /nfs/dbraw/zinc/29/18/12/1286291812.db2.gz CEKBQUQXZZYKPU-BPUTZDHNSA-N 2 0 344.846 2.670 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001094954597 1286291923 /nfs/dbraw/zinc/29/19/23/1286291923.db2.gz CEKBQUQXZZYKPU-IMJJTQAJSA-N 2 0 344.846 2.670 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001094966929 1286314080 /nfs/dbraw/zinc/31/40/80/1286314080.db2.gz FSRODXLHCRKJBS-UHOSZYNNSA-N 2 0 341.499 2.559 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001094966930 1286314660 /nfs/dbraw/zinc/31/46/60/1286314660.db2.gz FSRODXLHCRKJBS-WDSOQIARSA-N 2 0 341.499 2.559 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001094978328 1286329627 /nfs/dbraw/zinc/32/96/27/1286329627.db2.gz PCLFCFAIVRETAE-XHSDSOJGSA-N 2 0 339.911 2.582 20 30 EFEDRP C[NH+](C)CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172971115 1286360856 /nfs/dbraw/zinc/36/08/56/1286360856.db2.gz LZSADXCMPPOFQJ-HOTGVXAUSA-N 2 0 338.496 2.600 20 30 EFEDRP C[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584916 1286707891 /nfs/dbraw/zinc/70/78/91/1286707891.db2.gz RAFQKYTUEOKVBE-UHFFFAOYSA-N 2 0 340.515 2.996 20 30 EFEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001179362049 1289125420 /nfs/dbraw/zinc/12/54/20/1289125420.db2.gz VCCQCPGBDDQTAZ-LJQANCHMSA-N 2 0 333.520 2.683 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772760 1287169828 /nfs/dbraw/zinc/16/98/28/1287169828.db2.gz HJQWLZDMYBWAIL-ZWKOTPCHSA-N 2 0 343.515 2.641 20 30 EFEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783715 1287185738 /nfs/dbraw/zinc/18/57/38/1287185738.db2.gz OPSVEZNXZPQHRU-SJORKVTESA-N 2 0 332.492 2.747 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176284391 1287922970 /nfs/dbraw/zinc/92/29/70/1287922970.db2.gz FQMPHSQXBUPJSZ-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135309542 1287925305 /nfs/dbraw/zinc/92/53/05/1287925305.db2.gz YMZSGFSVYGIOBW-QWHCGFSZSA-N 2 0 327.856 2.580 20 30 EFEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001135371726 1287978655 /nfs/dbraw/zinc/97/86/55/1287978655.db2.gz IJVZJDCOHUJHTR-CVEARBPZSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001086739621 1288083464 /nfs/dbraw/zinc/08/34/64/1288083464.db2.gz JAKRDLTVVKUGTL-JKSUJKDBSA-N 2 0 326.444 2.707 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)CC1 ZINC001176736657 1288087430 /nfs/dbraw/zinc/08/74/30/1288087430.db2.gz CUWFNOQVCZENDE-GOSISDBHSA-N 2 0 333.520 2.562 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC1 ZINC001176736819 1288088083 /nfs/dbraw/zinc/08/80/83/1288088083.db2.gz FOCLOIAEEDMQBL-GOSISDBHSA-N 2 0 335.536 2.642 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176752931 1288118811 /nfs/dbraw/zinc/11/88/11/1288118811.db2.gz BFOJHGXUCUXSAZ-OALUTQOASA-N 2 0 335.536 2.785 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001177320036 1288387764 /nfs/dbraw/zinc/38/77/64/1288387764.db2.gz YXISKVWMNPGDOS-FQEVSTJZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001177339340 1288397648 /nfs/dbraw/zinc/39/76/48/1288397648.db2.gz CRMSQJMSWYKHNN-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001177339451 1288397773 /nfs/dbraw/zinc/39/77/73/1288397773.db2.gz GSMGUGJKIVCPNG-HXUWFJFHSA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001177378944 1288409250 /nfs/dbraw/zinc/40/92/50/1288409250.db2.gz PLWQVJIHGKBJNF-UHFFFAOYSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001177398421 1288419642 /nfs/dbraw/zinc/41/96/42/1288419642.db2.gz QFCKWBJEZCWTEG-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001177462959 1288429214 /nfs/dbraw/zinc/42/92/14/1288429214.db2.gz HNRSKKIOTBMZBF-WOJBJXKFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001177467261 1288431691 /nfs/dbraw/zinc/43/16/91/1288431691.db2.gz YPVDFNVOXHESLD-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001177447910 1288443188 /nfs/dbraw/zinc/44/31/88/1288443188.db2.gz AICTVTDLAQDTSQ-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477256 1288463376 /nfs/dbraw/zinc/46/33/76/1288463376.db2.gz BCBPGUOQKYDTJQ-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCCC[NH+](C)C ZINC001135965996 1288689316 /nfs/dbraw/zinc/68/93/16/1288689316.db2.gz HGCCDCPYUAGQTE-DLBZAZTESA-N 2 0 344.503 2.663 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001178722938 1288868140 /nfs/dbraw/zinc/86/81/40/1288868140.db2.gz WTHMEOLPUQETQI-IBGZPJMESA-N 2 0 347.547 2.786 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693248 1288872848 /nfs/dbraw/zinc/87/28/48/1288872848.db2.gz MPJUDMVJUSGXTF-IBGZPJMESA-N 2 0 333.520 2.683 20 30 EFEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707469 1288880220 /nfs/dbraw/zinc/88/02/20/1288880220.db2.gz HEAPDMURAJPCOO-SCTDSRPQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)[C@H]1C ZINC001179024834 1289010617 /nfs/dbraw/zinc/01/06/17/1289010617.db2.gz APMKQRQPCLRISU-AOIWGVFYSA-N 2 0 344.503 2.842 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179539182 1289183185 /nfs/dbraw/zinc/18/31/85/1289183185.db2.gz QIUBAHPDYFPHKK-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179590947 1289192295 /nfs/dbraw/zinc/19/22/95/1289192295.db2.gz MOXMNCHIGYFINT-UHFFFAOYSA-N 2 0 329.916 2.737 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001179832360 1289278320 /nfs/dbraw/zinc/27/83/20/1289278320.db2.gz ZBDINEGMGGFIEN-UHFFFAOYSA-N 2 0 329.488 2.651 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001180035876 1289391659 /nfs/dbraw/zinc/39/16/59/1289391659.db2.gz YAJGTRFQXUXRCL-LJQANCHMSA-N 2 0 335.536 2.931 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]2C)CC1 ZINC001180204429 1289442330 /nfs/dbraw/zinc/44/23/30/1289442330.db2.gz RIRUWNRROYIYCP-HKUYNNGSSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)CCC=C)C1 ZINC001181763218 1289932709 /nfs/dbraw/zinc/93/27/09/1289932709.db2.gz CQEDYGAEOOVNIS-XODKDNOYSA-N 2 0 345.531 2.513 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CCN(c2cc[nH+]cc2)CC3)cc1C#N ZINC001277693102 1312748802 /nfs/dbraw/zinc/74/88/02/1312748802.db2.gz DWOUDQJQYMWJGU-UHFFFAOYSA-N 2 0 335.455 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001181941211 1290006722 /nfs/dbraw/zinc/00/67/22/1290006722.db2.gz BOZKKWYCUIODSA-CXAGYDPISA-N 2 0 329.916 2.543 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182000885 1290036144 /nfs/dbraw/zinc/03/61/44/1290036144.db2.gz GPCIGJCGKWSBQC-QWFCFKBJSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182169653 1290100147 /nfs/dbraw/zinc/10/01/47/1290100147.db2.gz MHALEKIEFBSLMP-YVWKXTFCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001182301102 1290156616 /nfs/dbraw/zinc/15/66/16/1290156616.db2.gz QYBNAFKGIRWMSI-DOADOZAASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001202539668 1290235008 /nfs/dbraw/zinc/23/50/08/1290235008.db2.gz QKLTZOZHEQBMDY-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182963516 1290280502 /nfs/dbraw/zinc/28/05/02/1290280502.db2.gz CXFUWAISQJGRSS-IAGOWNOFSA-N 2 0 327.488 2.603 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182973312 1290288062 /nfs/dbraw/zinc/28/80/62/1290288062.db2.gz GCIBWCSOBZBTHO-SJORKVTESA-N 2 0 329.504 2.827 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184683275 1290499372 /nfs/dbraw/zinc/49/93/72/1290499372.db2.gz HFGUTACCTOIIMX-ROUUACIJSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184724745 1290503647 /nfs/dbraw/zinc/50/36/47/1290503647.db2.gz OVNKPEIVFJIJFU-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821208 1290530419 /nfs/dbraw/zinc/53/04/19/1290530419.db2.gz JJJPTLWPXOGUJY-SJORKVTESA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821483 1290530985 /nfs/dbraw/zinc/53/09/85/1290530985.db2.gz KPMKXHPIOQJTIZ-IRXDYDNUSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184822507 1290531685 /nfs/dbraw/zinc/53/16/85/1290531685.db2.gz STPVWBHZDPYJLH-ZFWWWQNUSA-N 2 0 346.862 2.775 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892113 1290538923 /nfs/dbraw/zinc/53/89/23/1290538923.db2.gz NCFZECPDRPXKCX-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184893242 1290539826 /nfs/dbraw/zinc/53/98/26/1290539826.db2.gz VLBVGQCEZBBAIO-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184893246 1290540102 /nfs/dbraw/zinc/54/01/02/1290540102.db2.gz VLBVGQCEZBBAIO-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171193 1290608235 /nfs/dbraw/zinc/60/82/35/1290608235.db2.gz URRUGMYBWVEPTA-GOEBONIOSA-N 2 0 343.943 2.791 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171195 1290609371 /nfs/dbraw/zinc/60/93/71/1290609371.db2.gz URRUGMYBWVEPTA-HOCLYGCPSA-N 2 0 343.943 2.791 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185381830 1290662359 /nfs/dbraw/zinc/66/23/59/1290662359.db2.gz SIIVUKMOSMZVKA-OALUTQOASA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185517360 1290697695 /nfs/dbraw/zinc/69/76/95/1290697695.db2.gz QRIHLNWRLLVBOK-SJORKVTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709430 1290749338 /nfs/dbraw/zinc/74/93/38/1290749338.db2.gz HGHXVLYXDPXBPK-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185727758 1290752498 /nfs/dbraw/zinc/75/24/98/1290752498.db2.gz BZTQALCOWSTYPX-DOTOQJQBSA-N 2 0 341.927 2.689 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCCC)[C@@H](C)C2)CC1 ZINC001185728266 1290753254 /nfs/dbraw/zinc/75/32/54/1290753254.db2.gz DJPFEGOJFOFOHA-ICSRJNTNSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001185741057 1290753673 /nfs/dbraw/zinc/75/36/73/1290753673.db2.gz GUWCVZHROBSIRL-LPHOPBHVSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185741056 1290753853 /nfs/dbraw/zinc/75/38/53/1290753853.db2.gz GUWCVZHROBSIRL-APWZRJJASA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185708789 1290757295 /nfs/dbraw/zinc/75/72/95/1290757295.db2.gz DEMSYZQYRKTARU-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356126 1290937658 /nfs/dbraw/zinc/93/76/58/1290937658.db2.gz SFAJBIRHACBAMC-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597074 1290995243 /nfs/dbraw/zinc/99/52/43/1290995243.db2.gz FEHVJYQBFWQLTJ-IBGZPJMESA-N 2 0 347.547 2.692 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233036 1291062231 /nfs/dbraw/zinc/06/22/31/1291062231.db2.gz ZHIZPRWGJKTWGV-MOPGFXCFSA-N 2 0 345.531 2.681 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169021 1291111995 /nfs/dbraw/zinc/11/19/95/1291111995.db2.gz NUNYMAJOLUABRA-ZWKOTPCHSA-N 2 0 338.455 2.931 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751520 1312835340 /nfs/dbraw/zinc/83/53/40/1312835340.db2.gz UMTCTNOOFBLZDJ-SFHVURJKSA-N 2 0 331.504 2.612 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793276 1312843084 /nfs/dbraw/zinc/84/30/84/1312843084.db2.gz HRHBYMDONLKOPY-GOSISDBHSA-N 2 0 335.536 2.951 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793045 1312843399 /nfs/dbraw/zinc/84/33/99/1312843399.db2.gz CDQVNYWDBPOIER-GOSISDBHSA-N 2 0 335.536 2.951 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944690 1291270339 /nfs/dbraw/zinc/27/03/39/1291270339.db2.gz NZHLNCGIASGVMY-SLFFLAALSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219496 1291344822 /nfs/dbraw/zinc/34/48/22/1291344822.db2.gz QGMNRUCAGOMSRP-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188330947 1291370908 /nfs/dbraw/zinc/37/09/08/1291370908.db2.gz MDSNGWSIJUCBGD-FQEVSTJZSA-N 2 0 341.499 2.876 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166841993 1312851589 /nfs/dbraw/zinc/85/15/89/1312851589.db2.gz GRJVEMYYXJIELW-SQNIBIBYSA-N 2 0 335.536 2.948 20 30 EFEDRP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001233081834 1312851735 /nfs/dbraw/zinc/85/17/35/1312851735.db2.gz QUYILNQHLJEASJ-BGYRXZFFSA-N 2 0 332.451 2.826 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863846 1312855736 /nfs/dbraw/zinc/85/57/36/1312855736.db2.gz REZSXQJFSVVYFO-UHFFFAOYSA-N 2 0 333.476 2.797 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931639 1291517110 /nfs/dbraw/zinc/51/71/10/1291517110.db2.gz IBANUXYQXVWTPG-LWYYNNOASA-N 2 0 347.547 2.996 20 30 EFEDRP CCCCCCC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166924340 1312867881 /nfs/dbraw/zinc/86/78/81/1312867881.db2.gz KHUYNLPBTPZSQA-SFHVURJKSA-N 2 0 341.540 2.554 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957563962 1291772005 /nfs/dbraw/zinc/77/20/05/1291772005.db2.gz UYDVOBINBIPODU-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568860 1291781142 /nfs/dbraw/zinc/78/11/42/1291781142.db2.gz RQBJRETUMWHHEW-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611743 1312880887 /nfs/dbraw/zinc/88/08/87/1312880887.db2.gz FSRBFKLECKKBRD-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC000957592087 1291827497 /nfs/dbraw/zinc/82/74/97/1291827497.db2.gz KMMFVTQALNLZPE-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016616187 1312883261 /nfs/dbraw/zinc/88/32/61/1312883261.db2.gz AHFSUCJCIDZMKK-HOTGVXAUSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603213 1291855572 /nfs/dbraw/zinc/85/55/72/1291855572.db2.gz OKXDVONYGIVSLR-MOPGFXCFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957605836 1291859883 /nfs/dbraw/zinc/85/98/83/1291859883.db2.gz LXINEQHAOUVJJA-INIZCTEOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016623781 1312887449 /nfs/dbraw/zinc/88/74/49/1312887449.db2.gz GJEVNVXWJXYUTD-PKOBYXMFSA-N 2 0 345.531 2.798 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802348 1291894382 /nfs/dbraw/zinc/89/43/82/1291894382.db2.gz WALMFLLOWJPUQC-ZWKOTPCHSA-N 2 0 333.520 2.585 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633730 1291929015 /nfs/dbraw/zinc/92/90/15/1291929015.db2.gz MKEDLWLFJUWEOO-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049466106 1312890181 /nfs/dbraw/zinc/89/01/81/1312890181.db2.gz ZJIGYAJHNNDEJJ-GUDVDZBRSA-N 2 0 333.520 2.891 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647413 1291959514 /nfs/dbraw/zinc/95/95/14/1291959514.db2.gz GXVVPUAOOMMNDP-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647412 1291959646 /nfs/dbraw/zinc/95/96/46/1291959646.db2.gz GXVVPUAOOMMNDP-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176694 1292043682 /nfs/dbraw/zinc/04/36/82/1292043682.db2.gz OOPJZDDDUYRGAM-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221810 1292050197 /nfs/dbraw/zinc/05/01/97/1292050197.db2.gz ONWWSALDZWQMFM-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212424 1292068854 /nfs/dbraw/zinc/06/88/54/1292068854.db2.gz BSXVSGGYAOYEOX-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016652335 1312904409 /nfs/dbraw/zinc/90/44/09/1312904409.db2.gz RWXJXOPWRNQTJR-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016652519 1312905551 /nfs/dbraw/zinc/90/55/51/1312905551.db2.gz SUQUXACUIBFBQB-HZPDHXFCSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478501 1312906942 /nfs/dbraw/zinc/90/69/42/1312906942.db2.gz PBIIZTWSGNABFU-MSOLQXFVSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663846 1312912290 /nfs/dbraw/zinc/91/22/90/1312912290.db2.gz UXJOHRKJVSZQMP-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001191010828 1292423494 /nfs/dbraw/zinc/42/34/94/1292423494.db2.gz QSRYIZWKAWNOQJ-QZTJIDSGSA-N 2 0 346.519 2.949 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461704 1312929506 /nfs/dbraw/zinc/92/95/06/1312929506.db2.gz HMZMWCUIFDHPSU-MSOLQXFVSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203505655 1312941036 /nfs/dbraw/zinc/94/10/36/1312941036.db2.gz FFKUVBJDDRLFKX-MOPGFXCFSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001049509451 1312942383 /nfs/dbraw/zinc/94/23/83/1312942383.db2.gz USRBHFZCERUZCY-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203537358 1312949423 /nfs/dbraw/zinc/94/94/23/1312949423.db2.gz COAPFWOACNHPCH-ROUUACIJSA-N 2 0 333.520 2.702 20 30 EFEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203604381 1312967917 /nfs/dbraw/zinc/96/79/17/1312967917.db2.gz DAYJEEJHGLYLCO-ROUUACIJSA-N 2 0 333.520 2.539 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203606755 1312969897 /nfs/dbraw/zinc/96/98/97/1312969897.db2.gz QOYLXNNCEAAROW-RBUKOAKNSA-N 2 0 347.547 2.929 20 30 EFEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129784576 1293272548 /nfs/dbraw/zinc/27/25/48/1293272548.db2.gz QPXMHAMSXCXMNK-QWHCGFSZSA-N 2 0 349.548 2.731 20 30 EFEDRP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193425120 1293303700 /nfs/dbraw/zinc/30/37/00/1293303700.db2.gz SWAYNFXKPCSEKA-MOPGFXCFSA-N 2 0 329.488 2.788 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498019 1293325416 /nfs/dbraw/zinc/32/54/16/1293325416.db2.gz FDJAUFBTVLGHBQ-CVEARBPZSA-N 2 0 330.476 2.649 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001016819276 1312995797 /nfs/dbraw/zinc/99/57/97/1312995797.db2.gz IZBLCJGWYFLECS-LJQANCHMSA-N 2 0 341.499 2.561 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001016819274 1312996104 /nfs/dbraw/zinc/99/61/04/1312996104.db2.gz IZBLCJGWYFLECS-IBGZPJMESA-N 2 0 341.499 2.561 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742405 1313003994 /nfs/dbraw/zinc/00/39/94/1313003994.db2.gz NEIYDIHELPKXRU-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CCN(C)CCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000883131272 1293473811 /nfs/dbraw/zinc/47/38/11/1293473811.db2.gz TVQOAVPHRWWILE-UHFFFAOYSA-N 2 0 325.250 2.508 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCCCC=C)C2)CC1 ZINC001194245998 1293568473 /nfs/dbraw/zinc/56/84/73/1293568473.db2.gz IQHYURVQKDOUCY-FQEVSTJZSA-N 2 0 345.531 2.611 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203773355 1313011868 /nfs/dbraw/zinc/01/18/68/1313011868.db2.gz VWDLZJOBQQIVOF-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862015 1313015548 /nfs/dbraw/zinc/01/55/48/1313015548.db2.gz RQFNWKIYXGZAHC-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016876075 1313022345 /nfs/dbraw/zinc/02/23/45/1313022345.db2.gz DJWHPRAVMKTGGD-IBGZPJMESA-N 2 0 341.499 2.909 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049563786 1313022979 /nfs/dbraw/zinc/02/29/79/1313022979.db2.gz DKKXUZHDSCGXKG-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049563787 1313023533 /nfs/dbraw/zinc/02/35/33/1313023533.db2.gz DKKXUZHDSCGXKG-IPMKNSEASA-N 2 0 333.520 2.748 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565662 1313025407 /nfs/dbraw/zinc/02/54/07/1313025407.db2.gz VYFIPJDJLCJZGL-OALUTQOASA-N 2 0 345.531 2.728 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825816 1313026302 /nfs/dbraw/zinc/02/63/02/1313026302.db2.gz VTIIEZZTEAQUTE-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016917058 1313041507 /nfs/dbraw/zinc/04/15/07/1313041507.db2.gz XXGMAWBVDOZHCT-LJQANCHMSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001203888872 1313041791 /nfs/dbraw/zinc/04/17/91/1313041791.db2.gz QWZBVMIISZAKMT-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922477 1313044364 /nfs/dbraw/zinc/04/43/64/1313044364.db2.gz DIKIUFWZQYWOCS-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922802 1313044404 /nfs/dbraw/zinc/04/44/04/1313044404.db2.gz GTHPZZIQDRQFFW-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924772 1313044880 /nfs/dbraw/zinc/04/48/80/1313044880.db2.gz YWNWLJBXYAZZAT-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196024902 1294109034 /nfs/dbraw/zinc/10/90/34/1294109034.db2.gz KQEISLILGCQSKL-SFHVURJKSA-N 2 0 341.515 2.947 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196026119 1294110889 /nfs/dbraw/zinc/11/08/89/1294110889.db2.gz ZKTXPBOWCSXNRZ-SJORKVTESA-N 2 0 327.488 2.555 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367308 1294229336 /nfs/dbraw/zinc/22/93/36/1294229336.db2.gz WYBRCRFSNHQPHV-GOSISDBHSA-N 2 0 344.503 2.797 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001196507806 1294263339 /nfs/dbraw/zinc/26/33/39/1294263339.db2.gz QOEOHAIDZPKCSU-INIZCTEOSA-N 2 0 326.444 2.837 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619844 1294308243 /nfs/dbraw/zinc/30/82/43/1294308243.db2.gz NFUPYJWBTYPOEN-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619842 1294308436 /nfs/dbraw/zinc/30/84/36/1294308436.db2.gz NFUPYJWBTYPOEN-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016983477 1313071192 /nfs/dbraw/zinc/07/11/92/1313071192.db2.gz TZYOPHVPVHMRJY-HOTGVXAUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016985951 1313072857 /nfs/dbraw/zinc/07/28/57/1313072857.db2.gz NFEDLFOIRMYEJF-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000303780476 1294579917 /nfs/dbraw/zinc/57/99/17/1294579917.db2.gz LKKOCFNWWRCNQC-UHFFFAOYSA-N 2 0 346.519 2.749 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000303785481 1294581490 /nfs/dbraw/zinc/58/14/90/1294581490.db2.gz QMHRNOATTWJAQR-CQSZACIVSA-N 2 0 328.382 2.594 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000303867120 1294592476 /nfs/dbraw/zinc/59/24/76/1294592476.db2.gz CPOYAYYPUGMVLS-CQSZACIVSA-N 2 0 334.464 2.552 20 30 EFEDRP C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C[C@H](C)O1 ZINC000303879983 1294594830 /nfs/dbraw/zinc/59/48/30/1294594830.db2.gz GVIQWDZTCIFENW-IRXDYDNUSA-N 2 0 344.503 2.596 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303881944 1294597575 /nfs/dbraw/zinc/59/75/75/1294597575.db2.gz HYBQWMZISHJDAB-UONOGXRCSA-N 2 0 334.464 2.551 20 30 EFEDRP CCCCOc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000303882403 1294598060 /nfs/dbraw/zinc/59/80/60/1294598060.db2.gz IAJQPQNALXCRPW-QGZVFWFLSA-N 2 0 332.492 2.754 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000303893010 1294599125 /nfs/dbraw/zinc/59/91/25/1294599125.db2.gz NZHDDPJUCHFZMF-KBPBESRZSA-N 2 0 334.464 2.693 20 30 EFEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])N3CCSCC3)c2)CC1 ZINC000303970743 1294611902 /nfs/dbraw/zinc/61/19/02/1294611902.db2.gz CTQFOTOUVGQHTP-UHFFFAOYSA-N 2 0 346.544 2.782 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000303973797 1294614654 /nfs/dbraw/zinc/61/46/54/1294614654.db2.gz HGJWEXAHXRUBCZ-KRWDZBQOSA-N 2 0 345.535 2.954 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000303982195 1294616145 /nfs/dbraw/zinc/61/61/45/1294616145.db2.gz PWHMRLFUQGYARV-JKSUJKDBSA-N 2 0 331.508 2.563 20 30 EFEDRP CC[C@@H](C)NC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304012332 1294631287 /nfs/dbraw/zinc/63/12/87/1294631287.db2.gz HGAKNEJMSOWVQA-HZPDHXFCSA-N 2 0 332.492 2.589 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312641 1294754542 /nfs/dbraw/zinc/75/45/42/1294754542.db2.gz SXUQGLQOFLEZQY-JKSUJKDBSA-N 2 0 331.460 2.548 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H](C)CC(C)C)CC2)CC1 ZINC001198236519 1294949612 /nfs/dbraw/zinc/94/96/12/1294949612.db2.gz NIBKHPBSCLSZOV-IBGZPJMESA-N 2 0 347.547 2.548 20 30 EFEDRP C=CCOc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001204303386 1313120122 /nfs/dbraw/zinc/12/01/22/1313120122.db2.gz GIXJFNONVIGZMV-UHFFFAOYSA-N 2 0 333.520 2.957 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198776763 1295246825 /nfs/dbraw/zinc/24/68/25/1295246825.db2.gz UFWUFGUJFKOEPF-MSOLQXFVSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1OC ZINC001198993347 1295389707 /nfs/dbraw/zinc/38/97/07/1295389707.db2.gz OCURTZPOWAYPBF-GOSISDBHSA-N 2 0 345.487 2.504 20 30 EFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304484575 1295661999 /nfs/dbraw/zinc/66/19/99/1295661999.db2.gz KVHJVRVKCLEMMB-JZXOWHBKSA-N 2 0 344.503 2.783 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642116 1313175943 /nfs/dbraw/zinc/17/59/43/1313175943.db2.gz HFWIIYJYXLOVPR-ROUUACIJSA-N 2 0 341.515 2.945 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000104162745 1295732312 /nfs/dbraw/zinc/73/23/12/1295732312.db2.gz GTAOOCKYQRLUFM-QGZVFWFLSA-N 2 0 346.519 2.892 20 30 EFEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)C[C@H](C)O1 ZINC000304715896 1295733256 /nfs/dbraw/zinc/73/32/56/1295733256.db2.gz ZVHXYUWGHKNPDW-IYBDPMFKSA-N 2 0 344.503 2.791 20 30 EFEDRP CCc1cccc2c(CCNC(=[NH2+])NC[C@@H]3CCC[N@H+]3CC)c[nH]c21 ZINC000304740481 1295747175 /nfs/dbraw/zinc/74/71/75/1295747175.db2.gz BQNYIJRYKHVLEM-KRWDZBQOSA-N 2 0 341.503 2.661 20 30 EFEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])N2CCCCC2)CCOCC1)c1ccccc1 ZINC000304747969 1295747684 /nfs/dbraw/zinc/74/76/84/1295747684.db2.gz GWBOKMQHTLNEDH-QGZVFWFLSA-N 2 0 344.503 2.687 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304751314 1295748362 /nfs/dbraw/zinc/74/83/62/1295748362.db2.gz JFBTVDJKYKYZOB-KRWDZBQOSA-N 2 0 346.519 2.837 20 30 EFEDRP CCCCNC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304753107 1295748393 /nfs/dbraw/zinc/74/83/93/1295748393.db2.gz KXCMNNUVGQGXOL-MRXNPFEDSA-N 2 0 332.492 2.591 20 30 EFEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])NC(C)(C)C)CCOCC1)c1ccccc1 ZINC000304758708 1295749779 /nfs/dbraw/zinc/74/97/79/1295749779.db2.gz QJNYKQULDSWTKM-HNNXBMFYSA-N 2 0 332.492 2.589 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC(C)C)cc1 ZINC000304755678 1295750458 /nfs/dbraw/zinc/75/04/58/1295750458.db2.gz NAEIWABKAMROPI-SFHVURJKSA-N 2 0 346.519 2.653 20 30 EFEDRP N#Cc1cncc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275028229 1296222132 /nfs/dbraw/zinc/22/21/32/1296222132.db2.gz YMCPWUAVRJQGOC-UHFFFAOYSA-N 2 0 335.455 2.769 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959916118 1296233482 /nfs/dbraw/zinc/23/34/82/1296233482.db2.gz UPECXQIDFMUZIS-IJXRJRJASA-N 2 0 345.531 2.654 20 30 EFEDRP C#Cc1ccc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132388 1296235196 /nfs/dbraw/zinc/23/51/96/1296235196.db2.gz RIHBSYHIUCOLHT-QFIPXVFZSA-N 2 0 339.527 2.908 20 30 EFEDRP C#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]COCCOC)(C2)CCC3)cc1 ZINC001275131568 1296235569 /nfs/dbraw/zinc/23/55/69/1296235569.db2.gz GRUCTMGYNFCZBZ-LEWJYISDSA-N 2 0 342.483 2.813 20 30 EFEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275605205 1296321413 /nfs/dbraw/zinc/32/14/13/1296321413.db2.gz GGAHXGMHJDGKJC-CALCHBBNSA-N 2 0 335.455 2.625 20 30 EFEDRP N#Cc1ccc(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000903824935 1313257368 /nfs/dbraw/zinc/25/73/68/1313257368.db2.gz VFDJNUSMYLICBD-VXKWHMMOSA-N 2 0 349.478 2.669 20 30 EFEDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001275969019 1296464151 /nfs/dbraw/zinc/46/41/51/1296464151.db2.gz WYYCKFMHDJGNBJ-NRFANRHFSA-N 2 0 340.515 2.798 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201053621 1296568008 /nfs/dbraw/zinc/56/80/08/1296568008.db2.gz VAQDNBDBWXBNBS-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767107 1313277130 /nfs/dbraw/zinc/27/71/30/1313277130.db2.gz NNVXLKFUZKMTCF-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768215 1313278866 /nfs/dbraw/zinc/27/88/66/1313278866.db2.gz UVEHFJPSHGGSTM-GUDVDZBRSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205433089 1313287578 /nfs/dbraw/zinc/28/75/78/1313287578.db2.gz YSPPQZQWKVKDGJ-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000960310421 1296726276 /nfs/dbraw/zinc/72/62/76/1296726276.db2.gz KAWSERBFURITAC-TZIWHRDSSA-N 2 0 341.499 2.666 20 30 EFEDRP C[C@@H](Cc1cnccn1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776160845 1296761273 /nfs/dbraw/zinc/76/12/73/1296761273.db2.gz RZALNCOSVZLLHR-INIZCTEOSA-N 2 0 335.455 2.533 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000960335247 1296761938 /nfs/dbraw/zinc/76/19/38/1296761938.db2.gz VZDABSGUNORPKE-VAMGGRTRSA-N 2 0 341.499 2.809 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518773 1313303844 /nfs/dbraw/zinc/30/38/44/1313303844.db2.gz KNYDOGSXJLCLTM-IAGOWNOFSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518882 1313304274 /nfs/dbraw/zinc/30/42/74/1313304274.db2.gz NYSNSOKUARSJME-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518884 1313304419 /nfs/dbraw/zinc/30/44/19/1313304419.db2.gz NYSNSOKUARSJME-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205520124 1313304557 /nfs/dbraw/zinc/30/45/57/1313304557.db2.gz WBCXLCRBEXGHBO-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Br)c1 ZINC001205558883 1313312854 /nfs/dbraw/zinc/31/28/54/1313312854.db2.gz KYTCHXLRDHYSFJ-HNNXBMFYSA-N 2 0 340.240 2.974 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205593550 1313319555 /nfs/dbraw/zinc/31/95/55/1313319555.db2.gz BJJYZRAXAHPOFG-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3cc(F)cc(F)c3C#N)cc[nH+]2)CC1 ZINC001201672861 1296983320 /nfs/dbraw/zinc/98/33/20/1296983320.db2.gz OFVLFJPOWAHNPB-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569615 1297038649 /nfs/dbraw/zinc/03/86/49/1297038649.db2.gz TVKURWCXSXZLRY-WCIQWLHISA-N 2 0 345.531 2.796 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205678638 1313336418 /nfs/dbraw/zinc/33/64/18/1313336418.db2.gz NEEVXAXAQLPYFN-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP N#CCCCC[N@H+]1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949585 1313337847 /nfs/dbraw/zinc/33/78/47/1313337847.db2.gz YDJOCWUYRBOXBB-IBGZPJMESA-N 2 0 328.460 2.769 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205700539 1313341111 /nfs/dbraw/zinc/34/11/11/1313341111.db2.gz KJKXEIAJNQFNFU-UHFFFAOYSA-N 2 0 326.444 2.742 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631510 1313362810 /nfs/dbraw/zinc/36/28/10/1313362810.db2.gz ADFNCUCQJYTCLY-MSOLQXFVSA-N 2 0 332.492 2.969 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835221 1313364891 /nfs/dbraw/zinc/36/48/91/1313364891.db2.gz GZYAILORYIFBPE-ZCNNSNEGSA-N 2 0 345.531 2.730 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049837739 1313368658 /nfs/dbraw/zinc/36/86/58/1313368658.db2.gz REMPXPIXSKZBBW-AQNXPRMDSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839181 1313368973 /nfs/dbraw/zinc/36/89/73/1313368973.db2.gz BVGCELJMDDDTHF-PMACEKPBSA-N 2 0 345.531 2.750 20 30 EFEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206022851 1313392855 /nfs/dbraw/zinc/39/28/55/1313392855.db2.gz KQNJQJZXVBROPA-FQEVSTJZSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001206031110 1313394051 /nfs/dbraw/zinc/39/40/51/1313394051.db2.gz NKHKTYDMJFHEAS-LNLFQRSKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001206288684 1313432209 /nfs/dbraw/zinc/43/22/09/1313432209.db2.gz VPBPYPRIURENTC-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481346 1313461924 /nfs/dbraw/zinc/46/19/24/1313461924.db2.gz GFVZOGOTBRCHSE-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913877 1313476329 /nfs/dbraw/zinc/47/63/29/1313476329.db2.gz JJACOIWBSRKABL-VAMGGRTRSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049915166 1313478879 /nfs/dbraw/zinc/47/88/79/1313478879.db2.gz TXOWJUUPLXXXRT-XUVXKRRUSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156614 1298222342 /nfs/dbraw/zinc/22/23/42/1298222342.db2.gz LGTQAWKEXPQKAG-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587481 1313479860 /nfs/dbraw/zinc/47/98/60/1313479860.db2.gz IDMLUYRAUZAGHM-UHFFFAOYSA-N 2 0 349.906 2.943 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214007 1298340613 /nfs/dbraw/zinc/34/06/13/1298340613.db2.gz RKORFEOHEYLJJQ-DLBZAZTESA-N 2 0 338.455 2.694 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224118 1298356843 /nfs/dbraw/zinc/35/68/43/1298356843.db2.gz CXPCEWBTNRZQBW-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231273 1298375559 /nfs/dbraw/zinc/37/55/59/1298375559.db2.gz NBAVQVLAGMCYOL-RBUKOAKNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231293 1298375740 /nfs/dbraw/zinc/37/57/40/1298375740.db2.gz QHJWHVKANYZLPV-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231275 1298377051 /nfs/dbraw/zinc/37/70/51/1298377051.db2.gz NBAVQVLAGMCYOL-RTBURBONSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254811 1298428329 /nfs/dbraw/zinc/42/83/29/1298428329.db2.gz TYGVTONIIIKQAN-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259585 1298431612 /nfs/dbraw/zinc/43/16/12/1298431612.db2.gz ISFUWHYTDIBVRU-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268832 1298455807 /nfs/dbraw/zinc/45/58/07/1298455807.db2.gz GHKVMSGFRZIBAT-DLBZAZTESA-N 2 0 342.487 2.508 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292541 1298510011 /nfs/dbraw/zinc/51/00/11/1298510011.db2.gz JREYCVPJCRQVRN-VQTJNVASSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765754 1313517714 /nfs/dbraw/zinc/51/77/14/1313517714.db2.gz LFCROFSJURKHQS-OTWHNJEPSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000961367445 1298627077 /nfs/dbraw/zinc/62/70/77/1298627077.db2.gz MSECIWVIECOTGU-SLFFLAALSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372943 1298636630 /nfs/dbraw/zinc/63/66/30/1298636630.db2.gz FDXZHQUNJQBFFT-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376498 1298645934 /nfs/dbraw/zinc/64/59/34/1298645934.db2.gz TYTGQJPOZPDDMT-UXHICEINSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871647 1313531969 /nfs/dbraw/zinc/53/19/69/1313531969.db2.gz UGEXFWUTFSASOJ-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206877815 1313534554 /nfs/dbraw/zinc/53/45/54/1313534554.db2.gz FGJWHHSONUIPRE-UHFFFAOYSA-N 2 0 330.476 2.556 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000961407344 1298700786 /nfs/dbraw/zinc/70/07/86/1298700786.db2.gz XCPANMQFLRWYKY-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961406998 1298701370 /nfs/dbraw/zinc/70/13/70/1298701370.db2.gz UKCJDJZZYXMSMP-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC/C=C\CC)CC2)CC1 ZINC001206948869 1313566519 /nfs/dbraw/zinc/56/65/19/1313566519.db2.gz GMRIVXPHEZQXAP-WAYWQWQTSA-N 2 0 345.531 2.516 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001018027487 1313648439 /nfs/dbraw/zinc/64/84/39/1313648439.db2.gz VHOUCBKFWCFNMX-CEXWTWQISA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001207391276 1313673626 /nfs/dbraw/zinc/67/36/26/1313673626.db2.gz ATCLANITZJLITJ-UHFFFAOYSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001207391972 1313673756 /nfs/dbraw/zinc/67/37/56/1313673756.db2.gz RVOADKQPCZPPRL-UHFFFAOYSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]2CC ZINC001207396755 1313674104 /nfs/dbraw/zinc/67/41/04/1313674104.db2.gz SSWWBEWKYNDYMI-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482065 1313697387 /nfs/dbraw/zinc/69/73/87/1313697387.db2.gz SGZJTGZIRVIGJF-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322626 1300597660 /nfs/dbraw/zinc/59/76/60/1300597660.db2.gz HVPDQEKWVYOOLE-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337313 1300631722 /nfs/dbraw/zinc/63/17/22/1300631722.db2.gz NQGLQJSXSAWPMU-ZWKOTPCHSA-N 2 0 344.503 2.632 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345248 1300649622 /nfs/dbraw/zinc/64/96/22/1300649622.db2.gz FKULXKZRADWFCV-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358565 1300680108 /nfs/dbraw/zinc/68/01/08/1300680108.db2.gz UKFQXXJXZCFTHA-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358205 1300680463 /nfs/dbraw/zinc/68/04/63/1300680463.db2.gz PJMJBNAILBKPTD-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963360165 1300684774 /nfs/dbraw/zinc/68/47/74/1300684774.db2.gz KYKSOURSPDEPOH-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363866 1300693446 /nfs/dbraw/zinc/69/34/46/1300693446.db2.gz AETZGFZMDRHNFS-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000963385210 1300743284 /nfs/dbraw/zinc/74/32/84/1300743284.db2.gz ALDLLKNNDQDNAS-OFLPRAFFSA-N 2 0 341.927 2.973 20 30 EFEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001018165847 1313723051 /nfs/dbraw/zinc/72/30/51/1313723051.db2.gz NQVGGXYTSCIQKT-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429619 1300837229 /nfs/dbraw/zinc/83/72/29/1300837229.db2.gz QHLSTGGQNLFIEE-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562886 1300921368 /nfs/dbraw/zinc/92/13/68/1300921368.db2.gz PETGYOQKCHHMDV-BWTSREIZSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963786051 1301314528 /nfs/dbraw/zinc/31/45/28/1301314528.db2.gz ADHYZNFPTXAWQS-LMBQMVEXSA-N 2 0 339.911 2.629 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000963808456 1301334636 /nfs/dbraw/zinc/33/46/36/1301334636.db2.gz HQBCBDIXQGVTLF-KZYAKZRFSA-N 2 0 345.531 2.844 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000963948041 1301505897 /nfs/dbraw/zinc/50/58/97/1301505897.db2.gz YHRRWIHDMXCOKO-JDKNDNFBSA-N 2 0 345.531 2.987 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790690 1313775386 /nfs/dbraw/zinc/77/53/86/1313775386.db2.gz WJGCXQQOTKJXMY-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000964035215 1301635657 /nfs/dbraw/zinc/63/56/57/1301635657.db2.gz UKGGQWPPOHDZAM-UHFFFAOYSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114606837 1302316893 /nfs/dbraw/zinc/31/68/93/1302316893.db2.gz IQIZZNTUNLCRNC-NMLBUPMWSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192327 1313866355 /nfs/dbraw/zinc/86/63/55/1313866355.db2.gz ULYKYDMABHFRLE-ICSRJNTNSA-N 2 0 336.520 2.935 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000965697337 1303291157 /nfs/dbraw/zinc/29/11/57/1303291157.db2.gz HFFAABSUPAYAQK-UHFFFAOYSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000965841070 1303344440 /nfs/dbraw/zinc/34/44/40/1303344440.db2.gz ASZRWQGZJHTROQ-FKXCTXBZSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000965933250 1303466632 /nfs/dbraw/zinc/46/66/32/1303466632.db2.gz VPLOWICJCXTPKZ-UHFFFAOYSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219248 1313914573 /nfs/dbraw/zinc/91/45/73/1313914573.db2.gz YFOYTXIBSHJJER-AKHDSKFASA-N 2 0 331.504 2.691 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208410964 1313922740 /nfs/dbraw/zinc/92/27/40/1313922740.db2.gz JLEOFALCJNXVDJ-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001037868843 1303890058 /nfs/dbraw/zinc/89/00/58/1303890058.db2.gz OSMGGGUNCLCZEL-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC ZINC001037883435 1304166369 /nfs/dbraw/zinc/16/63/69/1304166369.db2.gz BYGXWGXSVPSNBO-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1CC ZINC001037883432 1304166639 /nfs/dbraw/zinc/16/66/39/1304166639.db2.gz BYGXWGXSVPSNBO-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC[NH+](CC)CC1)CC2 ZINC001208600099 1313973147 /nfs/dbraw/zinc/97/31/47/1313973147.db2.gz QBXUNDCHQWUAIO-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208614488 1313980814 /nfs/dbraw/zinc/98/08/14/1313980814.db2.gz DPHAHIHOGHMWCQ-KRWDZBQOSA-N 2 0 343.471 2.752 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904508 1304419733 /nfs/dbraw/zinc/41/97/33/1304419733.db2.gz QEDVUDKECPVQFX-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967093070 1304657595 /nfs/dbraw/zinc/65/75/95/1304657595.db2.gz YGZOEAXSNJGKAF-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208747867 1314007942 /nfs/dbraw/zinc/00/79/42/1314007942.db2.gz DUKWEPAKFVXTSG-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423704 1304975886 /nfs/dbraw/zinc/97/58/86/1304975886.db2.gz IOJGVIGLURGRBD-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C[NH+]1CCN(c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)CC1 ZINC001240351012 1314023672 /nfs/dbraw/zinc/02/36/72/1314023672.db2.gz MSNFEKVRICTJSY-UHFFFAOYSA-N 2 0 332.451 2.664 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001037941665 1305089401 /nfs/dbraw/zinc/08/94/01/1305089401.db2.gz QSCTUIANWMFLAJ-HKUYNNGSSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456410 1305241204 /nfs/dbraw/zinc/24/12/04/1305241204.db2.gz UGDPLQNWNZCVDB-BWTSREIZSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001037955459 1305305166 /nfs/dbraw/zinc/30/51/66/1305305166.db2.gz BOHYOMZCKWLXQR-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001209007368 1314067847 /nfs/dbraw/zinc/06/78/47/1314067847.db2.gz SLIOZRDTUHHXPW-BRWVUGGUSA-N 2 0 332.492 2.798 20 30 EFEDRP C=CCCC[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001209160969 1314102484 /nfs/dbraw/zinc/10/24/84/1314102484.db2.gz FIDYQVGYXWDFSU-VAMGGRTRSA-N 2 0 336.520 2.933 20 30 EFEDRP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209202727 1314115027 /nfs/dbraw/zinc/11/50/27/1314115027.db2.gz OUWQTQAXGNBSCV-WOJBJXKFSA-N 2 0 329.488 2.961 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416944 1306285936 /nfs/dbraw/zinc/28/59/36/1306285936.db2.gz BWDPWFTVRSTSMP-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419532 1306290366 /nfs/dbraw/zinc/29/03/66/1306290366.db2.gz USGQTWFCRBUGML-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223969 1314120101 /nfs/dbraw/zinc/12/01/01/1314120101.db2.gz XROXWHYWLDMYGU-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223970 1314120277 /nfs/dbraw/zinc/12/02/77/1314120277.db2.gz XROXWHYWLDMYGU-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968676661 1306559562 /nfs/dbraw/zinc/55/95/62/1306559562.db2.gz OIVRGSINFHNGMR-JKSUJKDBSA-N 2 0 339.911 2.584 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683220 1306565358 /nfs/dbraw/zinc/56/53/58/1306565358.db2.gz ZVMWQJSLRWPNBL-IEBWSBKVSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690713 1306570928 /nfs/dbraw/zinc/57/09/28/1306570928.db2.gz ARVXCNHMFCRRMU-WMZOPIPTSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690897 1306571570 /nfs/dbraw/zinc/57/15/70/1306571570.db2.gz BKGDHHLZWVREMA-WBVHZDCISA-N 2 0 333.476 2.748 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC001209323400 1314139687 /nfs/dbraw/zinc/13/96/87/1314139687.db2.gz PJWGJTNHJNIUJO-UHFFFAOYSA-N 2 0 339.527 2.693 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001044655635 1306694857 /nfs/dbraw/zinc/69/48/57/1306694857.db2.gz CINCUDBZQITNKG-DZGCQCFKSA-N 2 0 346.862 2.978 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044680203 1306712500 /nfs/dbraw/zinc/71/25/00/1306712500.db2.gz DUDSXKXTGQSVRS-UKRRQHHQSA-N 2 0 332.835 2.670 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856095 1306726555 /nfs/dbraw/zinc/72/65/55/1306726555.db2.gz DSHFBBNKHKNHMA-RBUKOAKNSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887354 1306760034 /nfs/dbraw/zinc/76/00/34/1306760034.db2.gz BRGSMCSTHOWAFG-PMACEKPBSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888639 1306763902 /nfs/dbraw/zinc/76/39/02/1306763902.db2.gz XMNVSSOUKXRMDC-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044745276 1306767733 /nfs/dbraw/zinc/76/77/33/1306767733.db2.gz STHOHMBPJWLNRE-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001044816242 1306825122 /nfs/dbraw/zinc/82/51/22/1306825122.db2.gz OFNBAAARSSRWBF-VQIMIIECSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955440 1306836431 /nfs/dbraw/zinc/83/64/31/1306836431.db2.gz VUOQXBVKQVWMCA-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001044880415 1306893375 /nfs/dbraw/zinc/89/33/75/1306893375.db2.gz XPLYJYHBVDKTKA-HOTGVXAUSA-N 2 0 333.476 2.890 20 30 EFEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC000969108700 1306983585 /nfs/dbraw/zinc/98/35/85/1306983585.db2.gz JUYOSTKWOPYQSP-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCCCCC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001209423990 1314161816 /nfs/dbraw/zinc/16/18/16/1314161816.db2.gz HZFWTPSHNYZVAK-UHFFFAOYSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437993 1307337985 /nfs/dbraw/zinc/33/79/85/1307337985.db2.gz IJEPDBOXYSWYQR-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001045475872 1307365697 /nfs/dbraw/zinc/36/56/97/1307365697.db2.gz VAXYAZOQYYWUMP-ROUUACIJSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343798 1307380172 /nfs/dbraw/zinc/38/01/72/1307380172.db2.gz OHNOQRCZGPCWPB-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001045585203 1307448228 /nfs/dbraw/zinc/44/82/28/1307448228.db2.gz OXCMHVKBSSRNPV-QZTJIDSGSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045590315 1307451442 /nfs/dbraw/zinc/45/14/42/1307451442.db2.gz WXTQAHHIXQDCAC-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209644144 1314208477 /nfs/dbraw/zinc/20/84/77/1314208477.db2.gz ZBJMVGJKRKRWPA-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209652010 1314210712 /nfs/dbraw/zinc/21/07/12/1314210712.db2.gz WIESDVDCMILGDS-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921191 1307897032 /nfs/dbraw/zinc/89/70/32/1307897032.db2.gz HJXHFDTVYKYVPL-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939050 1307942366 /nfs/dbraw/zinc/94/23/66/1307942366.db2.gz TVJNQTWONDOMPF-NLWGTHIKSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045941902 1307952716 /nfs/dbraw/zinc/95/27/16/1307952716.db2.gz OMNYTJSUGPCDDM-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045942446 1307953674 /nfs/dbraw/zinc/95/36/74/1307953674.db2.gz XPVSFPCBQHZTDL-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278205 1307955884 /nfs/dbraw/zinc/95/58/84/1307955884.db2.gz VZSHXZFSZAVFCT-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943348 1307956216 /nfs/dbraw/zinc/95/62/16/1307956216.db2.gz IKGKPEPLNIYXCW-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943740 1307958734 /nfs/dbraw/zinc/95/87/34/1307958734.db2.gz NSZWSOQDIPHSRA-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945552 1307965480 /nfs/dbraw/zinc/96/54/80/1307965480.db2.gz VUBKVFRAZURXSZ-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045948727 1307973924 /nfs/dbraw/zinc/97/39/24/1307973924.db2.gz QLVVLBXJQYSASA-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949960 1307976733 /nfs/dbraw/zinc/97/67/33/1307976733.db2.gz SFSYIPKVCQRGBF-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949961 1307977452 /nfs/dbraw/zinc/97/74/52/1307977452.db2.gz SFSYIPKVCQRGBF-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951498 1307982538 /nfs/dbraw/zinc/98/25/38/1307982538.db2.gz FWBQSPZPKFWSHH-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045960318 1308005257 /nfs/dbraw/zinc/00/52/57/1308005257.db2.gz CLTAUNIHWRWIQD-CMKODMSKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961259 1308008657 /nfs/dbraw/zinc/00/86/57/1308008657.db2.gz JYPIRWQAOQMLEQ-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045966979 1308024108 /nfs/dbraw/zinc/02/41/08/1308024108.db2.gz KMBFMIMUHVCAEH-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982154 1308074424 /nfs/dbraw/zinc/07/44/24/1308074424.db2.gz PKJOKBXBFZDVPC-LJQANCHMSA-N 2 0 330.476 2.541 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510439 1308125607 /nfs/dbraw/zinc/12/56/07/1308125607.db2.gz PXKAXBZRFSVHQQ-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C[NH+]1CCC(n2cc(-c3ccccc3C3(C#N)CC[NH2+]CC3)cn2)CC1 ZINC001242730888 1314229432 /nfs/dbraw/zinc/22/94/32/1314229432.db2.gz MOODAWKTWNLBHY-UHFFFAOYSA-N 2 0 349.482 2.962 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540757 1308143321 /nfs/dbraw/zinc/14/33/21/1308143321.db2.gz OXGCNJRHWVFTPU-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC001209779728 1314237657 /nfs/dbraw/zinc/23/76/57/1314237657.db2.gz PYWBARJNUZBBNF-UHFFFAOYSA-N 2 0 342.531 2.544 20 30 EFEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319396 1308536346 /nfs/dbraw/zinc/53/63/46/1308536346.db2.gz RHCDLIBAPLGFFI-XLIONFOSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101490 1308737952 /nfs/dbraw/zinc/73/79/52/1308737952.db2.gz XYVZGWOXDFCWLZ-RDGPPVDQSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854712 1314274655 /nfs/dbraw/zinc/27/46/55/1314274655.db2.gz QEPDLJNVBHSKHB-AQNXPRMDSA-N 2 0 341.499 2.702 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210174351 1314291585 /nfs/dbraw/zinc/29/15/85/1314291585.db2.gz DCKQJBJLBQPGOT-MRXNPFEDSA-N 2 0 329.916 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198755 1314294538 /nfs/dbraw/zinc/29/45/38/1314294538.db2.gz RKFWDCPVMLUWQZ-HZPDHXFCSA-N 2 0 329.916 2.686 20 30 EFEDRP N#Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c2cccnc12 ZINC001210271407 1314306697 /nfs/dbraw/zinc/30/66/97/1314306697.db2.gz XCWVBAHKDGGNOE-UHFFFAOYSA-N 2 0 330.395 2.655 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701372 1314310431 /nfs/dbraw/zinc/31/04/31/1314310431.db2.gz FCLQZHFENHKVEX-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703209 1314311091 /nfs/dbraw/zinc/31/10/91/1314311091.db2.gz RGVXPKIVMJUJFF-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708921 1314315783 /nfs/dbraw/zinc/31/57/83/1314315783.db2.gz HSWXBOOGAJHNRS-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001046946113 1309735764 /nfs/dbraw/zinc/73/57/64/1309735764.db2.gz SJXMXEYACUNNJB-HOTGVXAUSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690464 1314373850 /nfs/dbraw/zinc/37/38/50/1314373850.db2.gz LSJIIJRBCMNVOQ-HOTGVXAUSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047241082 1310390606 /nfs/dbraw/zinc/39/06/06/1310390606.db2.gz KOVLONYJUMJDSK-YZGWKJHDSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047241413 1310391916 /nfs/dbraw/zinc/39/19/16/1310391916.db2.gz CCTNWMOCJZXRFT-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047242155 1310393467 /nfs/dbraw/zinc/39/34/67/1310393467.db2.gz CBAFWYBWXYYFLI-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047242421 1310395246 /nfs/dbraw/zinc/39/52/46/1310395246.db2.gz FCWJCCMBPKKZHC-OALUTQOASA-N 2 0 335.536 2.709 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245146 1310402797 /nfs/dbraw/zinc/40/27/97/1310402797.db2.gz XTSOWSCFQUZRJM-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098870999 1311048758 /nfs/dbraw/zinc/04/87/58/1311048758.db2.gz YFPSFVHLQJTZLS-HBFSDRIKSA-N 2 0 333.520 2.511 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344957 1311088889 /nfs/dbraw/zinc/08/88/89/1311088889.db2.gz QWQUOPOFHMMIAS-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344990 1311089116 /nfs/dbraw/zinc/08/91/16/1311089116.db2.gz SBWBENKCPNLTMF-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCO[C@H](C)C#N)CC1 ZINC000801938047 1311129004 /nfs/dbraw/zinc/12/90/04/1311129004.db2.gz YDTWWCIICBGQAZ-HZPDHXFCSA-N 2 0 348.466 2.547 20 30 EFEDRP CCCCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521544 1311146482 /nfs/dbraw/zinc/14/64/82/1311146482.db2.gz VPOZLTSPVILOHC-FQEVSTJZSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001222818250 1311188084 /nfs/dbraw/zinc/18/80/84/1311188084.db2.gz VAQCRRMVIZANDH-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001223194864 1311229181 /nfs/dbraw/zinc/22/91/81/1311229181.db2.gz TYSONCWPIBMWPZ-RTBURBONSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001223202508 1311229662 /nfs/dbraw/zinc/22/96/62/1311229662.db2.gz FOPXODKSGLHQFG-FQEVSTJZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313637 1311232353 /nfs/dbraw/zinc/23/23/53/1311232353.db2.gz HGGFYMNDORFPNB-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363905 1311237228 /nfs/dbraw/zinc/23/72/28/1311237228.db2.gz FHYNJRKEBMLZKD-ZVDOUQERSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223353613 1311249047 /nfs/dbraw/zinc/24/90/47/1311249047.db2.gz HZUKEPFZLKVYAQ-RDGPPVDQSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223373920 1311251795 /nfs/dbraw/zinc/25/17/95/1311251795.db2.gz GLTVMGKGDLGNOC-FUHWJXTLSA-N 2 0 341.515 2.849 20 30 EFEDRP C=CCCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001276885421 1311252785 /nfs/dbraw/zinc/25/27/85/1311252785.db2.gz KXFRJDDQVXIUDI-OPVJXMOQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001276887448 1311255441 /nfs/dbraw/zinc/25/54/41/1311255441.db2.gz IMLDCJKTCIDQLU-KCITZHQASA-N 2 0 333.520 2.557 20 30 EFEDRP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976218 1311271259 /nfs/dbraw/zinc/27/12/59/1311271259.db2.gz PWZWKFHVALGXHM-RLLQIKCJSA-N 2 0 349.563 2.983 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001223569303 1311276151 /nfs/dbraw/zinc/27/61/51/1311276151.db2.gz BRKLACVTMPCXPE-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079186 1311278598 /nfs/dbraw/zinc/27/85/98/1311278598.db2.gz YZLKAASWVYTMEF-CEXWTWQISA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223705153 1311294673 /nfs/dbraw/zinc/29/46/73/1311294673.db2.gz BFGSMIFMOPUKFH-QYZOEREBSA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001223719960 1311296186 /nfs/dbraw/zinc/29/61/86/1311296186.db2.gz NKIGPUJFBQGNND-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001223736538 1311297261 /nfs/dbraw/zinc/29/72/61/1311297261.db2.gz LVPHQUJSSZJILR-UHFFFAOYSA-N 2 0 326.444 2.742 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001223807623 1311305804 /nfs/dbraw/zinc/30/58/04/1311305804.db2.gz ASCVTPCQYJNEGB-UHFFFAOYSA-N 2 0 326.444 2.742 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430482 1311309568 /nfs/dbraw/zinc/30/95/68/1311309568.db2.gz RZKDIZUCIGIFBO-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987985 1311339105 /nfs/dbraw/zinc/33/91/05/1311339105.db2.gz YXALFAMQPMZYEA-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130021 1311346343 /nfs/dbraw/zinc/34/63/43/1311346343.db2.gz LMOPQXRFNGEKGH-QRVBRYPASA-N 2 0 335.536 2.831 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269352 1311350025 /nfs/dbraw/zinc/35/00/25/1311350025.db2.gz PXYFFYBRVVVIPX-QYZOEREBSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001224228465 1311363008 /nfs/dbraw/zinc/36/30/08/1311363008.db2.gz XXPWPPWHICHYTI-LNLFQRSKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001224233783 1311364138 /nfs/dbraw/zinc/36/41/38/1311364138.db2.gz YWTUQXHBIJDNTM-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 ZINC001224306130 1311373310 /nfs/dbraw/zinc/37/33/10/1311373310.db2.gz CJLBRHSQCSIWLO-MSOLQXFVSA-N 2 0 330.476 2.552 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546289 1311405599 /nfs/dbraw/zinc/40/55/99/1311405599.db2.gz JCIMQHZYXFKHHQ-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001224569896 1311408479 /nfs/dbraw/zinc/40/84/79/1311408479.db2.gz RDZDIFXCKIFUTP-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225142868 1311481967 /nfs/dbraw/zinc/48/19/67/1311481967.db2.gz QQMHONFLOVEDFO-FQEVSTJZSA-N 2 0 341.499 2.531 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434306 1311513515 /nfs/dbraw/zinc/51/35/15/1311513515.db2.gz LSSUHQHZSMTZBH-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309627 1311594095 /nfs/dbraw/zinc/59/40/95/1311594095.db2.gz VGFBEEZGEPGZIU-AABGKKOBSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001096314337 1311614546 /nfs/dbraw/zinc/61/45/46/1311614546.db2.gz DOKLHZAPACWBQI-YDZRNGNQSA-N 2 0 333.520 2.939 20 30 EFEDRP N#Cc1cc(Nc2ccccc2N2CCC([NH3+])CC2)cc(C2C[NH2+]C2)c1 ZINC001160105689 1311644237 /nfs/dbraw/zinc/64/42/37/1311644237.db2.gz UGBCERGOJQZKFW-UHFFFAOYSA-N 2 0 347.466 2.916 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001226554287 1311687894 /nfs/dbraw/zinc/68/78/94/1311687894.db2.gz NUXLUSCCYMVITH-GVDBMIGSSA-N 2 0 327.488 2.650 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360404 1311697386 /nfs/dbraw/zinc/69/73/86/1311697386.db2.gz QMIKORVAWTUDMW-LPHOPBHVSA-N 2 0 333.520 2.820 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400452 1311702945 /nfs/dbraw/zinc/70/29/45/1311702945.db2.gz RHIXZFUOFSDQBF-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466069 1311715962 /nfs/dbraw/zinc/71/59/62/1311715962.db2.gz AHXCISOIPXHZSL-MOPGFXCFSA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567742 1311738860 /nfs/dbraw/zinc/73/88/60/1311738860.db2.gz LAFSHDHPJZIYCR-IBGZPJMESA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160580568 1311741268 /nfs/dbraw/zinc/74/12/68/1311741268.db2.gz RGSHYOJGSLRYAQ-UHFFFAOYSA-N 2 0 338.455 2.971 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])CC2)cc1 ZINC000902436714 1311743000 /nfs/dbraw/zinc/74/30/00/1311743000.db2.gz FUKNSKHQFUQJJR-FGZHOGPDSA-N 2 0 346.478 2.737 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787174 1311781468 /nfs/dbraw/zinc/78/14/68/1311781468.db2.gz JSOCNSJMCOHHQC-UHFFFAOYSA-N 2 0 345.531 2.660 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408025 1311803622 /nfs/dbraw/zinc/80/36/22/1311803622.db2.gz DCWMEOKIMFQUMD-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048525942 1311862110 /nfs/dbraw/zinc/86/21/10/1311862110.db2.gz GSWSAEOJVZOFFZ-RDGPPVDQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C2 ZINC001048531122 1311868819 /nfs/dbraw/zinc/86/88/19/1311868819.db2.gz GWXRSPAGUKBGDI-ACHSLPGTSA-N 2 0 347.528 2.969 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538260 1311878784 /nfs/dbraw/zinc/87/87/84/1311878784.db2.gz NQSJWLYELITCBF-QXCZDIPSSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543271 1311885714 /nfs/dbraw/zinc/88/57/14/1311885714.db2.gz RHMDSWQXASCHSJ-VBUUOAMHSA-N 2 0 338.455 2.883 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444237 1311891197 /nfs/dbraw/zinc/89/11/97/1311891197.db2.gz AEVGPEODKPMRMC-OALUTQOASA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444238 1311891234 /nfs/dbraw/zinc/89/12/34/1311891234.db2.gz AEVGPEODKPMRMC-RBUKOAKNSA-N 2 0 331.504 2.718 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472612 1311896807 /nfs/dbraw/zinc/89/68/07/1311896807.db2.gz YKAPYOVFLDYDOK-UHFFFAOYSA-N 2 0 339.483 2.524 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492455 1311899506 /nfs/dbraw/zinc/89/95/06/1311899506.db2.gz XJASRDUPBBLUGG-IBGZPJMESA-N 2 0 333.520 2.515 20 30 EFEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048558037 1311903239 /nfs/dbraw/zinc/90/32/39/1311903239.db2.gz WCPOIGKVPUTIPO-OKYOBFRVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048561786 1311907224 /nfs/dbraw/zinc/90/72/24/1311907224.db2.gz FKVXMQHQIJDNMV-QXCZDIPSSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570476 1311917520 /nfs/dbraw/zinc/91/75/20/1311917520.db2.gz PMQGFDAOGYDMHO-UHZRXMQZSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048570655 1311918539 /nfs/dbraw/zinc/91/85/39/1311918539.db2.gz UEPBTELESDDCLA-FQBWVUSXSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574180 1311922636 /nfs/dbraw/zinc/92/26/36/1311922636.db2.gz RPZWCBLTWDWTFW-OUUBHVDSSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001048589780 1311940612 /nfs/dbraw/zinc/94/06/12/1311940612.db2.gz AOENVQKMJXEEIW-FNLKRUPLSA-N 2 0 341.499 2.907 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228414977 1311944012 /nfs/dbraw/zinc/94/40/12/1311944012.db2.gz DMSVBSYJJITGOT-APWZRJJASA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161679319 1311949078 /nfs/dbraw/zinc/94/90/78/1311949078.db2.gz ZEOMWSRGUOQGQH-HXUWFJFHSA-N 2 0 345.531 2.803 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161689165 1311951953 /nfs/dbraw/zinc/95/19/53/1311951953.db2.gz XRMDDFAQGOSKQO-OAQYLSRUSA-N 2 0 341.499 2.788 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924999 1312004574 /nfs/dbraw/zinc/00/45/74/1312004574.db2.gz SJZUPXLGEAVBGU-HDICACEKSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924966 1312004831 /nfs/dbraw/zinc/00/48/31/1312004831.db2.gz RGLWUXLDEVHJQO-ROUUACIJSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932520 1312007606 /nfs/dbraw/zinc/00/76/06/1312007606.db2.gz SUESKRVAXOKJAM-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161937648 1312008119 /nfs/dbraw/zinc/00/81/19/1312008119.db2.gz CEQMYGTUGGBTJW-UHFFFAOYSA-N 2 0 339.483 2.524 20 30 EFEDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000902802612 1312119148 /nfs/dbraw/zinc/11/91/48/1312119148.db2.gz PMGOMTHJDYCPQA-UYAOXDASSA-N 2 0 326.488 2.767 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001229992321 1312167067 /nfs/dbraw/zinc/16/70/67/1312167067.db2.gz AOWQWPKKVDMKKU-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048845909 1312191742 /nfs/dbraw/zinc/19/17/42/1312191742.db2.gz RRDRDXYUJYITCR-CALCHBBNSA-N 2 0 347.528 2.780 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001162877168 1312195131 /nfs/dbraw/zinc/19/51/31/1312195131.db2.gz VHYRMRUTLVZMAA-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001162906763 1312200601 /nfs/dbraw/zinc/20/06/01/1312200601.db2.gz QDSDWPLPVVFGOX-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001162928562 1312205942 /nfs/dbraw/zinc/20/59/42/1312205942.db2.gz LCWJMBXOHJFXLW-IBGZPJMESA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001162929471 1312205979 /nfs/dbraw/zinc/20/59/79/1312205979.db2.gz ZFRHNXFZCRRCBB-IBGZPJMESA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001162928563 1312206202 /nfs/dbraw/zinc/20/62/02/1312206202.db2.gz LCWJMBXOHJFXLW-LJQANCHMSA-N 2 0 343.515 2.565 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(CC)CC)CC1 ZINC001230251800 1312210984 /nfs/dbraw/zinc/21/09/84/1312210984.db2.gz KLHZIQJBJRWAQR-WOJBJXKFSA-N 2 0 347.547 2.785 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC/C=C/CC)CC1 ZINC001230252016 1312211255 /nfs/dbraw/zinc/21/12/55/1312211255.db2.gz WMVPDZZWIGFZEN-BGEOSOQGSA-N 2 0 345.531 2.705 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001163001787 1312223255 /nfs/dbraw/zinc/22/32/55/1312223255.db2.gz PNYXSEXNHWEIAD-HXUWFJFHSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001163001786 1312223512 /nfs/dbraw/zinc/22/35/12/1312223512.db2.gz PNYXSEXNHWEIAD-FQEVSTJZSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001163001907 1312223534 /nfs/dbraw/zinc/22/35/34/1312223534.db2.gz PZNALLWFLURCLQ-RTBURBONSA-N 2 0 343.515 2.706 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001230333310 1312223802 /nfs/dbraw/zinc/22/38/02/1312223802.db2.gz YAIIKHLWTHAEGD-QZTJIDSGSA-N 2 0 345.487 2.775 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081929 1312237072 /nfs/dbraw/zinc/23/70/72/1312237072.db2.gz NXFYWGOPUXELMD-OALUTQOASA-N 2 0 327.472 2.800 20 30 EFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C#N)c(Cl)cc1Cl ZINC001163129828 1312246874 /nfs/dbraw/zinc/24/68/74/1312246874.db2.gz REWCVNHNWKETRW-UHFFFAOYSA-N 2 0 329.235 2.538 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001163160309 1312253351 /nfs/dbraw/zinc/25/33/51/1312253351.db2.gz SXXRVCPWCCTCQX-IHPCNDPISA-N 2 0 327.472 2.657 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001230564507 1312266048 /nfs/dbraw/zinc/26/60/48/1312266048.db2.gz UKYYEFHZJSCDOZ-MISYRCLQSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001230571229 1312268125 /nfs/dbraw/zinc/26/81/25/1312268125.db2.gz BXSJYUANUWJGEL-MSOLQXFVSA-N 2 0 339.499 2.555 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230574377 1312269831 /nfs/dbraw/zinc/26/98/31/1312269831.db2.gz CIGJSYMGEAQNFA-SFHVURJKSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598731 1312279206 /nfs/dbraw/zinc/27/92/06/1312279206.db2.gz XTLGMMQWVLQLIO-UXHICEINSA-N 2 0 347.547 2.833 20 30 EFEDRP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001230611622 1312283171 /nfs/dbraw/zinc/28/31/71/1312283171.db2.gz WDLGLTQWZFQNCW-FQEVSTJZSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835674 1312363132 /nfs/dbraw/zinc/36/31/32/1312363132.db2.gz RAURCBSHWQIEAJ-GOSISDBHSA-N 2 0 346.519 2.696 20 30 EFEDRP C=CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846324 1312369459 /nfs/dbraw/zinc/36/94/59/1312369459.db2.gz FPYXORCXZPTTGX-IBGZPJMESA-N 2 0 346.519 2.696 20 30 EFEDRP C=C(C)CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)Cc1cccnc1 ZINC001230931591 1312395328 /nfs/dbraw/zinc/39/53/28/1312395328.db2.gz BJKZHXMAWRAJIF-UHFFFAOYSA-N 2 0 346.519 2.696 20 30 EFEDRP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001277543065 1312534766 /nfs/dbraw/zinc/53/47/66/1312534766.db2.gz DVIQJPVMVUPZPA-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554817 1312538331 /nfs/dbraw/zinc/53/83/31/1312538331.db2.gz HRXYUYPPRJGHBG-FUHWJXTLSA-N 2 0 333.520 2.559 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165314062 1312607316 /nfs/dbraw/zinc/60/73/16/1312607316.db2.gz FECCWVVSJRBVTN-INIZCTEOSA-N 2 0 327.488 2.509 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001211234138 1314461288 /nfs/dbraw/zinc/46/12/88/1314461288.db2.gz VHIOBIMCGVMPGC-QUCCMNQESA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952418 1314511900 /nfs/dbraw/zinc/51/19/00/1314511900.db2.gz DLSMQUXJLQRFTE-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052959000 1314518341 /nfs/dbraw/zinc/51/83/41/1314518341.db2.gz QCCIYJGNKFFCOZ-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245970249 1314557140 /nfs/dbraw/zinc/55/71/40/1314557140.db2.gz BPKAOKLUMAIQGF-FGTMMUONSA-N 2 0 332.504 2.530 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCC1(O)CC[NH2+]CC1 ZINC001245984745 1314559097 /nfs/dbraw/zinc/55/90/97/1314559097.db2.gz YCUPNSCRBRLOOE-SFHVURJKSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245983571 1314559389 /nfs/dbraw/zinc/55/93/89/1314559389.db2.gz LKGXDZLPFVZCFS-XWSJACJDSA-N 2 0 326.525 2.845 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001245981003 1314559410 /nfs/dbraw/zinc/55/94/10/1314559410.db2.gz PJNFXDHZMBQHHR-MSOLQXFVSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001245985860 1314559707 /nfs/dbraw/zinc/55/97/07/1314559707.db2.gz NDQDGBNLNQEDEG-MSOLQXFVSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246006607 1314564625 /nfs/dbraw/zinc/56/46/25/1314564625.db2.gz XUHBIACLNQDDCZ-GOSISDBHSA-N 2 0 328.541 2.972 20 30 EFEDRP C=CCCCCCC[C@H](O)C[NH2+]C1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246005982 1314564994 /nfs/dbraw/zinc/56/49/94/1314564994.db2.gz SQCFMVYRILWPTK-KRWDZBQOSA-N 2 0 340.508 2.539 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021070 1314567643 /nfs/dbraw/zinc/56/76/43/1314567643.db2.gz LDGHFJAOBYIXEJ-GBESFXJTSA-N 2 0 328.541 2.910 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027851 1314598335 /nfs/dbraw/zinc/59/83/35/1314598335.db2.gz IDGZCDOXMQFSDS-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027827 1314598363 /nfs/dbraw/zinc/59/83/63/1314598363.db2.gz HRTZISNJLYXZFQ-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029497 1314602468 /nfs/dbraw/zinc/60/24/68/1314602468.db2.gz SOQIVQOSPRTXAO-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001246304430 1314608237 /nfs/dbraw/zinc/60/82/37/1314608237.db2.gz KBGCZXDUDWWDBB-UHFFFAOYSA-N 2 0 331.460 2.830 20 30 EFEDRP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329327 1314610738 /nfs/dbraw/zinc/61/07/38/1314610738.db2.gz VANDRVUWJUYAPG-LPMFXHHGSA-N 2 0 338.455 2.834 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049876 1314635425 /nfs/dbraw/zinc/63/54/25/1314635425.db2.gz ATIRLOFGQLXCRK-MOPGFXCFSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050121 1314636563 /nfs/dbraw/zinc/63/65/63/1314636563.db2.gz COPCWOXXKKXQGB-VQTJNVASSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053052309 1314640064 /nfs/dbraw/zinc/64/00/64/1314640064.db2.gz UMAINXFRWWVDJL-MOPGFXCFSA-N 2 0 333.520 2.609 20 30 EFEDRP C/C(NC1CCC2(CC[NH2+]CC2)CC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001246526405 1314642443 /nfs/dbraw/zinc/64/24/43/1314642443.db2.gz QCIDJOWJRBRODN-UHFFFAOYSA-N 3 0 328.504 2.966 20 30 EFEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246626733 1314660748 /nfs/dbraw/zinc/66/07/48/1314660748.db2.gz KOCGXKFJFNRLPU-FXAWDEMLSA-N 2 0 335.536 2.927 20 30 EFEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246631409 1314661600 /nfs/dbraw/zinc/66/16/00/1314661600.db2.gz XDXVFQTVUGMRFO-XLIONFOSSA-N 2 0 335.536 2.927 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001246669022 1314667104 /nfs/dbraw/zinc/66/71/04/1314667104.db2.gz SYGSYLANAWFCST-FUHIMQAGSA-N 2 0 334.504 2.986 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088190 1314696622 /nfs/dbraw/zinc/69/66/22/1314696622.db2.gz QUXBBDKTFUNPSD-AZUAARDMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094580 1314706696 /nfs/dbraw/zinc/70/66/96/1314706696.db2.gz GBNKHCYEHCKKHH-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103888 1314723634 /nfs/dbraw/zinc/72/36/34/1314723634.db2.gz ARTXYWTZUALHMB-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001247008624 1314729850 /nfs/dbraw/zinc/72/98/50/1314729850.db2.gz YOBPZBALHHDGLC-MRXNPFEDSA-N 2 0 335.492 2.675 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214747463 1314734724 /nfs/dbraw/zinc/73/47/24/1314734724.db2.gz PWKUWHIMEKSJRA-GDBMZVCRSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754980 1314735249 /nfs/dbraw/zinc/73/52/49/1314735249.db2.gz NAHNZAWIWAOCCY-KZNAEPCWSA-N 2 0 341.515 2.849 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855974 1314748370 /nfs/dbraw/zinc/74/83/70/1314748370.db2.gz SXCWSQQVJDVUGH-BHIYHBOVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215027687 1314772272 /nfs/dbraw/zinc/77/22/72/1314772272.db2.gz UXSCADDJZCMJDT-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCC)CC1 ZINC001111456822 1314832496 /nfs/dbraw/zinc/83/24/96/1314832496.db2.gz XKGIUJWGAVWVEP-AQNXPRMDSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215541375 1314847538 /nfs/dbraw/zinc/84/75/38/1314847538.db2.gz ZWNHQMARQSVLNI-GPMSIDNRSA-N 2 0 339.499 2.602 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216174760 1314922414 /nfs/dbraw/zinc/92/24/14/1314922414.db2.gz WFRLTQODFKEXSW-ZIFCJYIRSA-N 2 0 335.536 2.898 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216327462 1314940360 /nfs/dbraw/zinc/94/03/60/1314940360.db2.gz VJULARPZWLJDCK-FUHIMQAGSA-N 2 0 347.547 2.900 20 30 EFEDRP CCc1cc(C#N)ccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001248752036 1314958812 /nfs/dbraw/zinc/95/88/12/1314958812.db2.gz USMIJRZWPGZAEM-UHFFFAOYSA-N 2 0 330.520 2.826 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001216837357 1315013599 /nfs/dbraw/zinc/01/35/99/1315013599.db2.gz CBBHHUUOGGFAAR-HTJOGQSXSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846623 1315014887 /nfs/dbraw/zinc/01/48/87/1315014887.db2.gz QCUPHHCFBXUJIB-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP c1ccc([S+](CCO[C@@H]2COC3(C[NH2+]C3)C2)c2ccccc2)cc1 ZINC001217793203 1315113398 /nfs/dbraw/zinc/11/33/98/1315113398.db2.gz RDYVVLULXBPEDL-KRWDZBQOSA-N 2 0 342.484 2.870 20 30 EFEDRP N#C[C@H]1C[NH2+]C[C@@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833221 1315116070 /nfs/dbraw/zinc/11/60/70/1315116070.db2.gz RMIDCYASVJGKCT-ICSRJNTNSA-N 2 0 343.471 2.570 20 30 EFEDRP N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001218337374 1315181403 /nfs/dbraw/zinc/18/14/03/1315181403.db2.gz UGWKWAHDBMUSEJ-OAQYLSRUSA-N 2 0 333.435 2.857 20 30 EFEDRP N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001218337371 1315181471 /nfs/dbraw/zinc/18/14/71/1315181471.db2.gz UGWKWAHDBMUSEJ-NRFANRHFSA-N 2 0 333.435 2.857 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001278588302 1315236822 /nfs/dbraw/zinc/23/68/22/1315236822.db2.gz ROSCUQUCKSAZPG-UHFFFAOYSA-N 2 0 349.482 2.743 20 30 EFEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219308971 1315299447 /nfs/dbraw/zinc/29/94/47/1315299447.db2.gz PZJRWEOXHZEXHU-KRWDZBQOSA-N 2 0 331.536 2.571 20 30 EFEDRP C[Si](C)(C)C#Cc1cccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219310529 1315299728 /nfs/dbraw/zinc/29/97/28/1315299728.db2.gz HYOXAHWYAJKXBD-INIZCTEOSA-N 2 0 331.536 2.700 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129238 1315337167 /nfs/dbraw/zinc/33/71/67/1315337167.db2.gz MYRODSLPEVPJRV-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143712 1315361065 /nfs/dbraw/zinc/36/10/65/1315361065.db2.gz IMVCUTNRWMHPHM-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145236 1315363833 /nfs/dbraw/zinc/36/38/33/1315363833.db2.gz NKBUBHZQCDDBMR-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145366 1315363882 /nfs/dbraw/zinc/36/38/82/1315363882.db2.gz ODTJLEUJDHKKFL-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145574 1315365929 /nfs/dbraw/zinc/36/59/29/1315365929.db2.gz SESYWVYHMUFREJ-FPOVZHCZSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145573 1315365948 /nfs/dbraw/zinc/36/59/48/1315365948.db2.gz SESYWVYHMUFREJ-CTNGQTDRSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054147129 1315367759 /nfs/dbraw/zinc/36/77/59/1315367759.db2.gz KTMDZYIBBDIKDO-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054158704 1315385905 /nfs/dbraw/zinc/38/59/05/1315385905.db2.gz ANQZAWRAJVGHMU-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054160042 1315387767 /nfs/dbraw/zinc/38/77/67/1315387767.db2.gz UAIRNTRFLCNYJJ-HXUWFJFHSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170175 1315404128 /nfs/dbraw/zinc/40/41/28/1315404128.db2.gz CIBCLXYAMYATAO-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252127647 1315417087 /nfs/dbraw/zinc/41/70/87/1315417087.db2.gz CWJNCHKQCKCDEI-FQEVSTJZSA-N 2 0 339.568 2.810 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186589 1315427577 /nfs/dbraw/zinc/42/75/77/1315427577.db2.gz WMKVPBKFEUKPAY-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192417 1315433132 /nfs/dbraw/zinc/43/31/32/1315433132.db2.gz XKGCPVLXHJYNEZ-AEFFLSMTSA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197324 1315441342 /nfs/dbraw/zinc/44/13/42/1315441342.db2.gz VZXXJOKYSNYDQY-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197467 1315441936 /nfs/dbraw/zinc/44/19/36/1315441936.db2.gz CECLITWFKSBFKL-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001220868802 1315458584 /nfs/dbraw/zinc/45/85/84/1315458584.db2.gz VBDOFEHKTZPUCC-FHWLQOOXSA-N 2 0 327.472 2.636 20 30 EFEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209475 1315460639 /nfs/dbraw/zinc/46/06/39/1315460639.db2.gz QYQMCYOGXQDSSY-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[C@@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001252598703 1315473413 /nfs/dbraw/zinc/47/34/13/1315473413.db2.gz PTNWMDFGMBKKNQ-LJQANCHMSA-N 2 0 329.488 2.697 20 30 EFEDRP C=CCC[C@H](O)C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001252598702 1315473916 /nfs/dbraw/zinc/47/39/16/1315473916.db2.gz PTNWMDFGMBKKNQ-IBGZPJMESA-N 2 0 329.488 2.697 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223448 1315480949 /nfs/dbraw/zinc/48/09/49/1315480949.db2.gz VGLQARLQOPLCRP-OAQYLSRUSA-N 2 0 347.547 2.997 20 30 EFEDRP Cc1ccc(C(=[NH2+])NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001252951556 1315542153 /nfs/dbraw/zinc/54/21/53/1315542153.db2.gz STXVWEZVOBOBAL-NRFANRHFSA-N 2 0 337.467 2.646 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153003 1315547794 /nfs/dbraw/zinc/54/77/94/1315547794.db2.gz MRGLHDYCKRHTKQ-IHPCNDPISA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154095 1315549488 /nfs/dbraw/zinc/54/94/88/1315549488.db2.gz PJNBGQLSOPDVAX-RBUKOAKNSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552914 1315549904 /nfs/dbraw/zinc/54/99/04/1315549904.db2.gz JUHDMUMKDLWUEE-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039154680 1315550245 /nfs/dbraw/zinc/55/02/45/1315550245.db2.gz DQMJYMIRSXDUAS-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557412 1315551775 /nfs/dbraw/zinc/55/17/75/1315551775.db2.gz FFKOUEWIRJHAET-HSALFYBXSA-N 2 0 347.547 2.831 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616130 1315562971 /nfs/dbraw/zinc/56/29/71/1315562971.db2.gz FPJISIRHEJSHHN-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616532 1315564290 /nfs/dbraw/zinc/56/42/90/1315564290.db2.gz OIQCJRZUAAFSED-GUDVDZBRSA-N 2 0 335.536 2.830 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620390 1315564876 /nfs/dbraw/zinc/56/48/76/1315564876.db2.gz CFYHWNSOYSNXOR-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165427 1315565308 /nfs/dbraw/zinc/56/53/08/1315565308.db2.gz PVVKNLBHAHCDJZ-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166494 1315566647 /nfs/dbraw/zinc/56/66/47/1315566647.db2.gz ZFKHVXKNDMOKKB-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001221647142 1315569397 /nfs/dbraw/zinc/56/93/97/1315569397.db2.gz SNJUUIOHQCRIQG-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCCC[C@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253238291 1315583521 /nfs/dbraw/zinc/58/35/21/1315583521.db2.gz CCOBBHMRSRLHOR-SFHVURJKSA-N 2 0 342.524 2.691 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039179928 1315586585 /nfs/dbraw/zinc/58/65/85/1315586585.db2.gz JDJJSSBVPFICPC-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181998 1315588938 /nfs/dbraw/zinc/58/89/38/1315588938.db2.gz GXBNUNQSFBESGC-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182494 1315589855 /nfs/dbraw/zinc/58/98/55/1315589855.db2.gz PBURGQDMGQHXBE-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182670 1315590744 /nfs/dbraw/zinc/59/07/44/1315590744.db2.gz QPTWPXACSCKHGA-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226565 1315647779 /nfs/dbraw/zinc/64/77/79/1315647779.db2.gz WHNJKOSDXCKQPJ-RBUKOAKNSA-N 2 0 344.503 2.942 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228549 1315650630 /nfs/dbraw/zinc/65/06/30/1315650630.db2.gz JFYFUJLXNHRWSG-QFBILLFUSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233683 1315657881 /nfs/dbraw/zinc/65/78/81/1315657881.db2.gz DIBUPIMCERLTDX-ZWKOTPCHSA-N 2 0 344.503 2.896 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250168 1315681935 /nfs/dbraw/zinc/68/19/35/1315681935.db2.gz JGPOILWHRMDXFW-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039276901 1315697993 /nfs/dbraw/zinc/69/79/93/1315697993.db2.gz PTLIJWGNLGTTPO-IPQPSQTFSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039288844 1315703521 /nfs/dbraw/zinc/70/35/21/1315703521.db2.gz IYYSVTMYZWXHDZ-MSRNWOCLSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039297738 1315706936 /nfs/dbraw/zinc/70/69/36/1315706936.db2.gz PWJDKMYVUGXOSE-ALOPSCKCSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039307620 1315711502 /nfs/dbraw/zinc/71/15/02/1315711502.db2.gz PWCPHBHTYCCKNL-XYTVBORESA-N 2 0 339.911 2.582 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517256 1315713571 /nfs/dbraw/zinc/71/35/71/1315713571.db2.gz SQCCTHDDOBNMJJ-PKOBYXMFSA-N 2 0 335.492 2.581 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254517821 1315713655 /nfs/dbraw/zinc/71/36/55/1315713655.db2.gz YURONMFIBQVMGJ-GOSISDBHSA-N 2 0 349.519 2.971 20 30 EFEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001254645994 1315734844 /nfs/dbraw/zinc/73/48/44/1315734844.db2.gz IOAQZBJWQRKXSH-HAGHYFMRSA-N 2 0 330.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384944 1315754331 /nfs/dbraw/zinc/75/43/31/1315754331.db2.gz SFEDVEMNLVOOIT-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001039385181 1315754834 /nfs/dbraw/zinc/75/48/34/1315754834.db2.gz AXFFVTJHKGXQMQ-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039386900 1315756484 /nfs/dbraw/zinc/75/64/84/1315756484.db2.gz KNXRMHJLYYAHAN-QYZOEREBSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039397962 1315764487 /nfs/dbraw/zinc/76/44/87/1315764487.db2.gz IIEDAHVLOPZFOF-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410961 1315773516 /nfs/dbraw/zinc/77/35/16/1315773516.db2.gz FMPGQIVHTAUNSD-CEXWTWQISA-N 2 0 331.504 2.502 20 30 EFEDRP C[NH+]1CCC(C#N)(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255132942 1315780288 /nfs/dbraw/zinc/78/02/88/1315780288.db2.gz NTKMTAZVCKQOCE-ACDBMABISA-N 2 0 338.499 2.760 20 30 EFEDRP CCOC(=O)C1CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001255258016 1315796771 /nfs/dbraw/zinc/79/67/71/1315796771.db2.gz JBWRKLXYQGGTMI-UHFFFAOYSA-N 2 0 331.460 2.775 20 30 EFEDRP C=CCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1=O ZINC001255389309 1315815873 /nfs/dbraw/zinc/81/58/73/1315815873.db2.gz FLRRDRBJKJJZPR-WOJBJXKFSA-N 2 0 341.499 2.808 20 30 EFEDRP CN1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478361 1315828573 /nfs/dbraw/zinc/82/85/73/1315828573.db2.gz UORKMJOKGQAHDL-VAMGGRTRSA-N 2 0 326.488 2.724 20 30 EFEDRP C=CCN1C(=O)CCC12CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255676864 1315856532 /nfs/dbraw/zinc/85/65/32/1315856532.db2.gz IYOLUVYPRXBATP-JWTNVVGKSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](C)CC[NH+](CC)CC)C2 ZINC001255944154 1315883213 /nfs/dbraw/zinc/88/32/13/1315883213.db2.gz SCHVMEATEDBAOI-AEFFLSMTSA-N 2 0 331.504 2.602 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256623896 1315970606 /nfs/dbraw/zinc/97/06/06/1315970606.db2.gz NKJFIFIOIMHERC-NHJHPMQKSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622965 1315970638 /nfs/dbraw/zinc/97/06/38/1315970638.db2.gz MLYALJTXBLKTDA-MJIXASBWSA-N 2 0 334.504 2.685 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622968 1315970801 /nfs/dbraw/zinc/97/08/01/1315970801.db2.gz MLYALJTXBLKTDA-WSCSCYJOSA-N 2 0 334.504 2.685 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652215 1315975469 /nfs/dbraw/zinc/97/54/69/1315975469.db2.gz VTRSACUZDGCLRJ-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652214 1315975672 /nfs/dbraw/zinc/97/56/72/1315975672.db2.gz VTRSACUZDGCLRJ-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP N#Cc1cc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)ccc1Cl ZINC001256688375 1315982150 /nfs/dbraw/zinc/98/21/50/1315982150.db2.gz WVQCIYIONIRFHH-UHFFFAOYSA-N 2 0 333.863 2.945 20 30 EFEDRP C[N@@H+]1CCCN(CC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257011209 1316021491 /nfs/dbraw/zinc/02/14/91/1316021491.db2.gz ZDXFUWJXCBCHQE-UHFFFAOYSA-N 2 0 340.515 2.812 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206914 1316143716 /nfs/dbraw/zinc/14/37/16/1316143716.db2.gz ARVYWHHPMPCYOG-CTNGQTDRSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040210001 1316144944 /nfs/dbraw/zinc/14/49/44/1316144944.db2.gz MSEMACFTCYSXII-ZVDOUQERSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040241139 1316160638 /nfs/dbraw/zinc/16/06/38/1316160638.db2.gz MFFHNZOJRBEWED-FPOVZHCZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241690 1316161337 /nfs/dbraw/zinc/16/13/37/1316161337.db2.gz RCSXMMOHIMXJJY-FPOVZHCZSA-N 2 0 345.531 2.894 20 30 EFEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241873 1316161892 /nfs/dbraw/zinc/16/18/92/1316161892.db2.gz VCEHJILZSLISAE-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241870 1316162105 /nfs/dbraw/zinc/16/21/05/1316162105.db2.gz VCEHJILZSLISAE-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241872 1316162142 /nfs/dbraw/zinc/16/21/42/1316162142.db2.gz VCEHJILZSLISAE-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040244014 1316163567 /nfs/dbraw/zinc/16/35/67/1316163567.db2.gz FMLTWIIMBZHMHG-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258728400 1316173699 /nfs/dbraw/zinc/17/36/99/1316173699.db2.gz ORWDOLRJMWJYHD-INIZCTEOSA-N 2 0 332.492 2.646 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774044 1316177335 /nfs/dbraw/zinc/17/73/35/1316177335.db2.gz UQMIEMCSVAFFEH-VQTJNVASSA-N 2 0 336.520 2.935 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774045 1316177472 /nfs/dbraw/zinc/17/74/72/1316177472.db2.gz UQMIEMCSVAFFEH-WOJBJXKFSA-N 2 0 336.520 2.935 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275247 1316178990 /nfs/dbraw/zinc/17/89/90/1316178990.db2.gz JUZCXHJIMAMWOW-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347654 1316214007 /nfs/dbraw/zinc/21/40/07/1316214007.db2.gz LRKLBLRCVLLGMM-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354914 1316217897 /nfs/dbraw/zinc/21/78/97/1316217897.db2.gz VGSGQBICZZATGA-CMKODMSKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040355315 1316218585 /nfs/dbraw/zinc/21/85/85/1316218585.db2.gz ANCNXZVPXFIVNR-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492681 1316292098 /nfs/dbraw/zinc/29/20/98/1316292098.db2.gz DFKZHAVUFNJSPS-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542696 1316315404 /nfs/dbraw/zinc/31/54/04/1316315404.db2.gz COAHWQIAEUYDFP-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545375 1316316355 /nfs/dbraw/zinc/31/63/55/1316316355.db2.gz ONKSLGXIBSADDE-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040701388 1316354795 /nfs/dbraw/zinc/35/47/95/1316354795.db2.gz JHVPGFHWOQGTGJ-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001040702489 1316354988 /nfs/dbraw/zinc/35/49/88/1316354988.db2.gz WOOSCSFNAKMCJW-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109774 1316359474 /nfs/dbraw/zinc/35/94/74/1316359474.db2.gz MNXGODAIPWZLHR-SJORKVTESA-N 2 0 345.487 2.727 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040745551 1316365383 /nfs/dbraw/zinc/36/53/83/1316365383.db2.gz OEARKRPDRHLDLU-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746082 1316365462 /nfs/dbraw/zinc/36/54/62/1316365462.db2.gz VNSVYTPFGSUEKM-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040816970 1316381607 /nfs/dbraw/zinc/38/16/07/1316381607.db2.gz ITVPVUMMZYSWKK-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817927 1316381886 /nfs/dbraw/zinc/38/18/86/1316381886.db2.gz XLDCKYXGHQCKHF-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875135 1316394902 /nfs/dbraw/zinc/39/49/02/1316394902.db2.gz SHJBDLZXLFFNGC-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC001040882990 1316396769 /nfs/dbraw/zinc/39/67/69/1316396769.db2.gz QNTJFUJAWGJWOB-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882554 1316397021 /nfs/dbraw/zinc/39/70/21/1316397021.db2.gz FSIULVUWDZISFK-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040895301 1316399774 /nfs/dbraw/zinc/39/97/74/1316399774.db2.gz SQLRENKPPDOQMS-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040948578 1316409621 /nfs/dbraw/zinc/40/96/21/1316409621.db2.gz VBOGINURFKQNCE-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460853 1316459781 /nfs/dbraw/zinc/45/97/81/1316459781.db2.gz ZIGJHJNCMYALFP-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358454 1316526795 /nfs/dbraw/zinc/52/67/95/1316526795.db2.gz OKILEMNAPUHEPV-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358376 1316527230 /nfs/dbraw/zinc/52/72/30/1316527230.db2.gz NKMHXLHMENJVBH-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358027 1316527274 /nfs/dbraw/zinc/52/72/74/1316527274.db2.gz KNTXZZPWWCPCMX-UYAOXDASSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041371084 1316530675 /nfs/dbraw/zinc/53/06/75/1316530675.db2.gz KCGGVEVCDAUKLL-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424476 1316549039 /nfs/dbraw/zinc/54/90/39/1316549039.db2.gz LGRDHAISMDYTDG-HXUWFJFHSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424632 1316549078 /nfs/dbraw/zinc/54/90/78/1316549078.db2.gz NBRNWTQHDJTVHA-OAQYLSRUSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041430170 1316550323 /nfs/dbraw/zinc/55/03/23/1316550323.db2.gz AXHWEKUTMLWXEA-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433156 1316550619 /nfs/dbraw/zinc/55/06/19/1316550619.db2.gz VRZUZWYXFKSVQZ-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433157 1316550966 /nfs/dbraw/zinc/55/09/66/1316550966.db2.gz VRZUZWYXFKSVQZ-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477217 1316563033 /nfs/dbraw/zinc/56/30/33/1316563033.db2.gz ZGJAPJBNWUKUFC-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724341 1316666906 /nfs/dbraw/zinc/66/69/06/1316666906.db2.gz VJNLGOWJYBGRLI-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778696 1316694091 /nfs/dbraw/zinc/69/40/91/1316694091.db2.gz DYXYDVDZZCHWFT-RTWAWAEBSA-N 2 0 341.499 2.574 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843373 1316729747 /nfs/dbraw/zinc/72/97/47/1316729747.db2.gz QYYXNUFQOBYXHP-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844954 1316731465 /nfs/dbraw/zinc/73/14/65/1316731465.db2.gz QGIGWUIXBMPNTG-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845390 1316731659 /nfs/dbraw/zinc/73/16/59/1316731659.db2.gz XTMSTLMZISAJAF-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845970 1316731866 /nfs/dbraw/zinc/73/18/66/1316731866.db2.gz UJCINGFWJOIURU-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845574 1316731880 /nfs/dbraw/zinc/73/18/80/1316731880.db2.gz IRXLTMBXYXDNNB-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846076 1316732181 /nfs/dbraw/zinc/73/21/81/1316732181.db2.gz WLBSFPIHPIZJPK-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845966 1316732348 /nfs/dbraw/zinc/73/23/48/1316732348.db2.gz UJCAUVGEVHIOHU-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846070 1316732408 /nfs/dbraw/zinc/73/24/08/1316732408.db2.gz WLBSFPIHPIZJPK-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001041851599 1316736968 /nfs/dbraw/zinc/73/69/68/1316736968.db2.gz JSFNLCGLNITZRO-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234171 1316997055 /nfs/dbraw/zinc/99/70/55/1316997055.db2.gz KPNBTDWNWSJPDC-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042259800 1317049235 /nfs/dbraw/zinc/04/92/35/1317049235.db2.gz SBHFWYGIFVYFDK-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368144 1317223927 /nfs/dbraw/zinc/22/39/27/1317223927.db2.gz ONRRUFFYFTYXON-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP Cc1cnccc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279382790 1317252198 /nfs/dbraw/zinc/25/21/98/1317252198.db2.gz VGIBETOMFNEKMR-UHFFFAOYSA-N 2 0 349.482 2.698 20 30 EFEDRP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001492112580 1324216728 /nfs/dbraw/zinc/21/67/28/1324216728.db2.gz DIOKTFAUMCZSNA-CRAIPNDOSA-N 2 0 349.906 2.516 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC001326299620 1329745247 /nfs/dbraw/zinc/74/52/47/1329745247.db2.gz RXPXVRHWSVQOQM-HXUWFJFHSA-N 2 0 341.499 2.761 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC[C@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001338385207 1331701521 /nfs/dbraw/zinc/70/15/21/1331701521.db2.gz XLCJAJBTRPUGTF-IAGOWNOFSA-N 2 0 338.540 2.620 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001340881812 1332216987 /nfs/dbraw/zinc/21/69/87/1332216987.db2.gz TXSIRNWGPMBVGJ-VYDXJSESSA-N 2 0 335.517 2.931 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570365 1332268719 /nfs/dbraw/zinc/26/87/19/1332268719.db2.gz XNGYHBFJNXDEHR-OALUTQOASA-N 2 0 329.488 2.698 20 30 EFEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001757268 1333448408 /nfs/dbraw/zinc/44/84/08/1333448408.db2.gz QSIZUQTUIXSRHV-HXUWFJFHSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001837218 1333581891 /nfs/dbraw/zinc/58/18/91/1333581891.db2.gz UEEWMHGJPFQJJQ-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001926086 1333752077 /nfs/dbraw/zinc/75/20/77/1333752077.db2.gz UGJFTLAUWJFHSD-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001926094 1333752182 /nfs/dbraw/zinc/75/21/82/1333752182.db2.gz UGJFTLAUWJFHSD-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606722 1334191596 /nfs/dbraw/zinc/19/15/96/1334191596.db2.gz VUWACGRBNDAFPS-IBGZPJMESA-N 2 0 335.536 2.879 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001100679611 1334559093 /nfs/dbraw/zinc/55/90/93/1334559093.db2.gz FAGHWEAVHHQLFP-RJYAGPCLSA-N 2 0 339.499 2.650 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001356545543 1335051191 /nfs/dbraw/zinc/05/11/91/1335051191.db2.gz XWTODVREXGWMOD-INIZCTEOSA-N 2 0 328.460 2.741 20 30 EFEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000849056196 1335061713 /nfs/dbraw/zinc/06/17/13/1335061713.db2.gz ZIBUMVLNWAXMGT-FQEVSTJZSA-N 2 0 338.499 2.867 20 30 EFEDRP C=CCSCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849072738 1335069183 /nfs/dbraw/zinc/06/91/83/1335069183.db2.gz CCUTYHYNTGMETE-UHFFFAOYSA-N 2 0 332.517 2.684 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001357458664 1335308533 /nfs/dbraw/zinc/30/85/33/1335308533.db2.gz ZDSNVCSKUDQHFW-SLFFLAALSA-N 2 0 343.515 2.869 20 30 EFEDRP CC(C)(CC#N)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849116501 1335555565 /nfs/dbraw/zinc/55/55/65/1335555565.db2.gz RFYLZRYOKDRAFE-UHFFFAOYSA-N 2 0 327.476 2.705 20 30 EFEDRP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC001363943258 1337124095 /nfs/dbraw/zinc/12/40/95/1337124095.db2.gz IAIIHQMKRFTYKY-UHFFFAOYSA-N 2 0 326.488 2.849 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001366074087 1337365538 /nfs/dbraw/zinc/36/55/38/1337365538.db2.gz CCVCWRZVSIDZGR-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)Cc2ccccc2)C1 ZINC001366854304 1338121301 /nfs/dbraw/zinc/12/13/01/1338121301.db2.gz SNYUSKRLLNTFMO-GOSISDBHSA-N 2 0 349.906 2.699 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001368133815 1339209642 /nfs/dbraw/zinc/20/96/42/1339209642.db2.gz DYNLIYCCRXFBMH-QGZVFWFLSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)CN(C)CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001368560040 1339504094 /nfs/dbraw/zinc/50/40/94/1339504094.db2.gz CTBDYIHSLYCJFY-UHFFFAOYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001368914987 1339858745 /nfs/dbraw/zinc/85/87/45/1339858745.db2.gz RNTIKKYQLBABRJ-HNNXBMFYSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001375292898 1342600543 /nfs/dbraw/zinc/60/05/43/1342600543.db2.gz YWADZBRALDQTGO-HZPDHXFCSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001393547108 1356938367 /nfs/dbraw/zinc/93/83/67/1356938367.db2.gz SBILIMJJBZOPDW-UHFFFAOYSA-N 2 0 341.908 2.804 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001375580775 1342900410 /nfs/dbraw/zinc/90/04/10/1342900410.db2.gz ZIRZKCQNGWJFOP-KRWDZBQOSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001376620180 1343728157 /nfs/dbraw/zinc/72/81/57/1343728157.db2.gz SYVSFSSOEQXYDT-QAQDUYKDSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001376937595 1343970266 /nfs/dbraw/zinc/97/02/66/1343970266.db2.gz FOHVBWSNCRRVPP-KRWDZBQOSA-N 2 0 349.906 2.595 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001376943157 1343973205 /nfs/dbraw/zinc/97/32/05/1343973205.db2.gz NSJPCVSVCYBWQL-INIZCTEOSA-N 2 0 349.906 2.595 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001377594648 1344202435 /nfs/dbraw/zinc/20/24/35/1344202435.db2.gz ITVAUMXNCMPCNJ-HNNXBMFYSA-N 2 0 346.862 2.980 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001378470004 1345104535 /nfs/dbraw/zinc/10/45/35/1345104535.db2.gz QIJPDOUBWSFQJZ-KRWDZBQOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001378822318 1345340806 /nfs/dbraw/zinc/34/08/06/1345340806.db2.gz AKNKEHWHYRZMAJ-OAHLLOKOSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001378926964 1345432027 /nfs/dbraw/zinc/43/20/27/1345432027.db2.gz PXBDBJYKDWAMTM-NVXWUHKLSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001379155359 1345631144 /nfs/dbraw/zinc/63/11/44/1345631144.db2.gz VJTQODZLLDEVNM-SJORKVTESA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379167887 1345638146 /nfs/dbraw/zinc/63/81/46/1345638146.db2.gz KFPWMFQOEVYMAW-GJZGRUSLSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001380269721 1347562860 /nfs/dbraw/zinc/56/28/60/1347562860.db2.gz OYVXBFQKSFDBJZ-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)C12CCC[NH+]1CCC2 ZINC001381743855 1348494436 /nfs/dbraw/zinc/49/44/36/1348494436.db2.gz BKCLRGKMVOUKBD-HNNXBMFYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)C12CCC[NH+]1CCC2 ZINC001381743862 1348494473 /nfs/dbraw/zinc/49/44/73/1348494473.db2.gz BKCLRGKMVOUKBD-OAHLLOKOSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001389695321 1353561569 /nfs/dbraw/zinc/56/15/69/1353561569.db2.gz RRGDEEKNUNZSMQ-KRWDZBQOSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001391884000 1355620016 /nfs/dbraw/zinc/62/00/16/1355620016.db2.gz CTLOTIZGSBOTAN-GOEBONIOSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676405 1387279714 /nfs/dbraw/zinc/27/97/14/1387279714.db2.gz XFVZUJSAZSEZGJ-HOTGVXAUSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001392182374 1355835866 /nfs/dbraw/zinc/83/58/66/1355835866.db2.gz AYERYHCRTIQLLS-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001392186051 1355840189 /nfs/dbraw/zinc/84/01/89/1355840189.db2.gz PDPLMZBYGCKPMO-CVEARBPZSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001392740234 1356297064 /nfs/dbraw/zinc/29/70/64/1356297064.db2.gz YJCRTSAHIRAWJP-IAGOWNOFSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001393188722 1356696896 /nfs/dbraw/zinc/69/68/96/1356696896.db2.gz VNKFKIUAJVKUNL-UHFFFAOYSA-N 2 0 329.916 2.689 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001397164540 1359717082 /nfs/dbraw/zinc/71/70/82/1359717082.db2.gz AAAXFXRVRIVBID-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001401302040 1362647405 /nfs/dbraw/zinc/64/74/05/1362647405.db2.gz VKLAASNQFMKFKS-ZFWWWQNUSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001402167274 1363475217 /nfs/dbraw/zinc/47/52/17/1363475217.db2.gz FGWCCRKGKLAMIZ-GOSISDBHSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001402762681 1364009982 /nfs/dbraw/zinc/00/99/82/1364009982.db2.gz BWNTVASHRQAPNY-SJORKVTESA-N 2 0 341.927 2.926 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001406173850 1367367810 /nfs/dbraw/zinc/36/78/10/1367367810.db2.gz CNOLKABUCIQRLY-SJORKVTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1CC ZINC001406809113 1368082881 /nfs/dbraw/zinc/08/28/81/1368082881.db2.gz OAQNDEKGNHPWDV-HOTGVXAUSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890804 1373378143 /nfs/dbraw/zinc/37/81/43/1373378143.db2.gz IBMCPPQGPGOJPG-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001420893102 1377849043 /nfs/dbraw/zinc/84/90/43/1377849043.db2.gz OXDXSMMSLIRSES-INIZCTEOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001421580126 1378842546 /nfs/dbraw/zinc/84/25/46/1378842546.db2.gz RTFJMENJEUXMPH-YOEHRIQHSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001422996270 1381179858 /nfs/dbraw/zinc/17/98/58/1381179858.db2.gz HHHGAFLOSDMULY-OAHLLOKOSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001423478044 1381972013 /nfs/dbraw/zinc/97/20/13/1381972013.db2.gz BCCSGOVZYLLTQB-KRWDZBQOSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001438833083 1388848863 /nfs/dbraw/zinc/84/88/63/1388848863.db2.gz GXKVOWBOBLRAMB-KRWDZBQOSA-N 2 0 341.927 2.591 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001441396727 1391281941 /nfs/dbraw/zinc/28/19/41/1391281941.db2.gz QBTXLIHCONPNHQ-UHFFFAOYSA-N 2 0 327.900 2.538 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001447769190 1391754598 /nfs/dbraw/zinc/75/45/98/1391754598.db2.gz DJHIIDGBTUXAJR-IRXDYDNUSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001447964524 1391860197 /nfs/dbraw/zinc/86/01/97/1391860197.db2.gz MLCYONVILOIARW-INIZCTEOSA-N 2 0 343.943 2.935 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479967440 1398052441 /nfs/dbraw/zinc/05/24/41/1398052441.db2.gz RULIEZXNWGBWLN-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001500428700 1403116127 /nfs/dbraw/zinc/11/61/27/1403116127.db2.gz OPCBLHGSBYKURX-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001503691269 1404500495 /nfs/dbraw/zinc/50/04/95/1404500495.db2.gz LLGXKOOTBNYLMA-OALUTQOASA-N 2 0 329.488 2.618 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001505398765 1404552380 /nfs/dbraw/zinc/55/23/80/1404552380.db2.gz VGGBAUCERRDNJE-UHFFFAOYSA-N 2 0 341.927 2.641 20 30 EFEDRP N#Cc1cccc([C@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001560098463 1415263644 /nfs/dbraw/zinc/26/36/44/1415263644.db2.gz ISDSXNGMKTXNGG-WOJBJXKFSA-N 2 0 332.407 2.819 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001568153245 1416426647 /nfs/dbraw/zinc/42/66/47/1416426647.db2.gz NZEZGKZIFFEPIR-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155504 712942154 /nfs/dbraw/zinc/94/21/54/712942154.db2.gz AGLMWJLIFVBXIT-LJQANCHMSA-N 2 0 341.499 2.746 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155845 712942536 /nfs/dbraw/zinc/94/25/36/712942536.db2.gz DLALQTOBKSSDFY-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000970017375 713343961 /nfs/dbraw/zinc/34/39/61/713343961.db2.gz VMAJOIAALSWXIP-AWEZNQCLSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535760 717894190 /nfs/dbraw/zinc/89/41/90/717894190.db2.gz WZAJSEWNSQDZLY-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153572 713533710 /nfs/dbraw/zinc/53/37/10/713533710.db2.gz BXDQUBFWEITQQX-RTBURBONSA-N 2 0 335.536 2.709 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159249 713602144 /nfs/dbraw/zinc/60/21/44/713602144.db2.gz IGMNZKNQSNNAOY-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159281 713602695 /nfs/dbraw/zinc/60/26/95/713602695.db2.gz IVYRIHSVJXNICV-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980214279 717926982 /nfs/dbraw/zinc/92/69/82/717926982.db2.gz FASOLDHIAIBBDT-GBESFXJTSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980216377 717929622 /nfs/dbraw/zinc/92/96/22/717929622.db2.gz JOYVPDCYNSGCMB-SLFFLAALSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634578 714212058 /nfs/dbraw/zinc/21/20/58/714212058.db2.gz CJZNTTXHSJIASA-LPHOPBHVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634999 714212962 /nfs/dbraw/zinc/21/29/62/714212962.db2.gz GZJSMLGRXQCNHT-QFBILLFUSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671915 714275514 /nfs/dbraw/zinc/27/55/14/714275514.db2.gz XHFJZHZQESQBAS-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682006 714295812 /nfs/dbraw/zinc/29/58/12/714295812.db2.gz LMKGREJNNVEWLO-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682005 714295996 /nfs/dbraw/zinc/29/59/96/714295996.db2.gz LMKGREJNNVEWLO-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683279 714297404 /nfs/dbraw/zinc/29/74/04/714297404.db2.gz XLRCPPUAUUNRSM-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707650 714345114 /nfs/dbraw/zinc/34/51/14/714345114.db2.gz WRYLEQREZXYURC-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160671215 714403769 /nfs/dbraw/zinc/40/37/69/714403769.db2.gz ZGSPZCYEHABHNY-LLVKDONJSA-N 2 0 330.354 2.654 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739995 714403875 /nfs/dbraw/zinc/40/38/75/714403875.db2.gz PXULICSVHINRQP-UXHICEINSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC000980251092 717980436 /nfs/dbraw/zinc/98/04/36/717980436.db2.gz FULBZSSOCAXMCA-WDSOQIARSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681722 714882406 /nfs/dbraw/zinc/88/24/06/714882406.db2.gz GBVJCOCIUOKCFI-JKSUJKDBSA-N 2 0 327.900 2.535 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617870 718027419 /nfs/dbraw/zinc/02/74/19/718027419.db2.gz MHBGODALIBDDHI-WOJBJXKFSA-N 2 0 345.531 2.778 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000104181496 715254652 /nfs/dbraw/zinc/25/46/52/715254652.db2.gz SYHOCMSYZVUQNR-CQSZACIVSA-N 2 0 334.464 2.551 20 30 EFEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947124 715369097 /nfs/dbraw/zinc/36/90/97/715369097.db2.gz NKFQCLZXTDBVEO-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C(C)(C)C1 ZINC000975044048 715447543 /nfs/dbraw/zinc/44/75/43/715447543.db2.gz WYBWZBQMJXDZLP-FUHWJXTLSA-N 2 0 344.503 2.547 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029462 715453976 /nfs/dbraw/zinc/45/39/76/715453976.db2.gz BIPPUMBLSMGKGX-DNVCBOLYSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409028 715699660 /nfs/dbraw/zinc/69/96/60/715699660.db2.gz BORCQXJBNOHYLH-JKSUJKDBSA-N 2 0 327.900 2.535 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000303710332 724416982 /nfs/dbraw/zinc/41/69/82/724416982.db2.gz OJABHMZWAVCDEO-CQSZACIVSA-N 2 0 334.464 2.695 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473592 715942171 /nfs/dbraw/zinc/94/21/71/715942171.db2.gz OUSSVQLQQAQZNX-IAGOWNOFSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473591 715942240 /nfs/dbraw/zinc/94/22/40/715942240.db2.gz OUSSVQLQQAQZNX-DLBZAZTESA-N 2 0 341.927 2.782 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000157390654 716263101 /nfs/dbraw/zinc/26/31/01/716263101.db2.gz VVHYWKIWQTWXSC-HNNXBMFYSA-N 2 0 348.491 2.798 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625376 716314884 /nfs/dbraw/zinc/31/48/84/716314884.db2.gz BKOUZSYOSUWNAG-YSTOQKLRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369906 716390978 /nfs/dbraw/zinc/39/09/78/716390978.db2.gz ICTJOIXYDNZUIE-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400326 716420675 /nfs/dbraw/zinc/42/06/75/716420675.db2.gz IHOQVSNNLCJFJY-OAHLLOKOSA-N 2 0 335.517 2.828 20 30 EFEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622101 716422926 /nfs/dbraw/zinc/42/29/26/716422926.db2.gz NYUJNVOKNCFLLX-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413359 716437686 /nfs/dbraw/zinc/43/76/86/716437686.db2.gz DBJKFIGMXWXWDU-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977648562 716440633 /nfs/dbraw/zinc/44/06/33/716440633.db2.gz ANKKOPLNCJGABN-SFHVURJKSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455691 716494309 /nfs/dbraw/zinc/49/43/09/716494309.db2.gz OYWPYBKYVOXAOP-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023490122 716535302 /nfs/dbraw/zinc/53/53/02/716535302.db2.gz UKSVTDKAWWDZKW-INIZCTEOSA-N 2 0 326.444 2.742 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023550368 716611043 /nfs/dbraw/zinc/61/10/43/716611043.db2.gz ZSTWFMJZESNJML-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576951 716701849 /nfs/dbraw/zinc/70/18/49/716701849.db2.gz APAKATBRDYJSLI-QFBILLFUSA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695002 716833714 /nfs/dbraw/zinc/83/37/14/716833714.db2.gz RVDHRKUGUWUVAJ-GOSISDBHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695178 716834277 /nfs/dbraw/zinc/83/42/77/716834277.db2.gz XTFLPJQSAIKICJ-GOSISDBHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601702 716916261 /nfs/dbraw/zinc/91/62/61/716916261.db2.gz GVBPUNJZOMIJMZ-DLBZAZTESA-N 2 0 341.927 2.925 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763199 716975181 /nfs/dbraw/zinc/97/51/81/716975181.db2.gz DVNKTSKZNNRWJK-KRWDZBQOSA-N 2 0 329.488 2.766 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440078 717737795 /nfs/dbraw/zinc/73/77/95/717737795.db2.gz KGGCKAMLXQADEK-QUCCMNQESA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478104 717790563 /nfs/dbraw/zinc/79/05/63/717790563.db2.gz QUTUELUSOSLGCS-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479310 717793375 /nfs/dbraw/zinc/79/33/75/717793375.db2.gz FDRCTOHQQHJMSE-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885573 717832148 /nfs/dbraw/zinc/83/21/48/717832148.db2.gz HEXZKUKIACAJKN-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181550 717849240 /nfs/dbraw/zinc/84/92/40/717849240.db2.gz DUAKXPLZNPDPIE-XUVXKRRUSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980182216 717850940 /nfs/dbraw/zinc/85/09/40/717850940.db2.gz CDXVWBQFUNCMJO-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521417 717867758 /nfs/dbraw/zinc/86/77/58/717867758.db2.gz SGFJDPKAVYTIOL-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187568 717876194 /nfs/dbraw/zinc/87/61/94/717876194.db2.gz OZFQYDILOMGCOQ-OTWHNJEPSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980190744 717881808 /nfs/dbraw/zinc/88/18/08/717881808.db2.gz YUTIIFOOBAORMS-UFYCRDLUSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750024 718135857 /nfs/dbraw/zinc/13/58/57/718135857.db2.gz JYZZTHQDGFUHTH-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981181456 718171870 /nfs/dbraw/zinc/17/18/70/718171870.db2.gz LCHAKOUXAVISQS-HZPDHXFCSA-N 2 0 326.444 2.849 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985497254 724495504 /nfs/dbraw/zinc/49/55/04/724495504.db2.gz UPJKNUVTPOHVBH-IAGOWNOFSA-N 2 0 339.911 2.679 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231931 718446853 /nfs/dbraw/zinc/44/68/53/718446853.db2.gz JCMBICRTZIACKO-MOPGFXCFSA-N 2 0 345.531 2.730 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231937 718446924 /nfs/dbraw/zinc/44/69/24/718446924.db2.gz JCMBICRTZIACKO-RBUKOAKNSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251862 718472751 /nfs/dbraw/zinc/47/27/51/718472751.db2.gz LKMWYBAXBQQECC-RTBURBONSA-N 2 0 338.455 2.979 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199514 718493617 /nfs/dbraw/zinc/49/36/17/718493617.db2.gz QPGTVNHPZBNMCE-CABCVRRESA-N 2 0 332.835 2.717 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275647 718514206 /nfs/dbraw/zinc/51/42/06/718514206.db2.gz YADJFZQNXYSPIP-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275657 718514427 /nfs/dbraw/zinc/51/44/27/718514427.db2.gz YDEBDUPAKXHRIX-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281448 718519725 /nfs/dbraw/zinc/51/97/25/718519725.db2.gz VGYGAXTZYOAKHM-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288914 718526292 /nfs/dbraw/zinc/52/62/92/718526292.db2.gz MQGPCKMQWUQHMN-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229577 718535014 /nfs/dbraw/zinc/53/50/14/718535014.db2.gz YTGVKZAZNHQJPC-GJZGRUSLSA-N 2 0 332.835 2.717 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301854 718540302 /nfs/dbraw/zinc/54/03/02/718540302.db2.gz QGIUDYVGJCLVDE-VQTJNVASSA-N 2 0 345.531 2.731 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985510692 724525951 /nfs/dbraw/zinc/52/59/51/724525951.db2.gz OCIKUBZIKBXWKD-UHFFFAOYSA-N 2 0 346.862 2.932 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092643 718708199 /nfs/dbraw/zinc/70/81/99/718708199.db2.gz BBDVPKIDGLNFQL-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025434626 718834649 /nfs/dbraw/zinc/83/46/49/718834649.db2.gz XLRRTTSEQMGPSK-HUUCEWRRSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025434627 718835215 /nfs/dbraw/zinc/83/52/15/718835215.db2.gz XLRRTTSEQMGPSK-LSDHHAIUSA-N 2 0 335.517 2.826 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433291 718836798 /nfs/dbraw/zinc/83/67/98/718836798.db2.gz MFPFXTGAUMGVEU-JKSUJKDBSA-N 2 0 347.528 2.663 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454290 718897763 /nfs/dbraw/zinc/89/77/63/718897763.db2.gz WZNNVPQUGOHUQP-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025460361 718912518 /nfs/dbraw/zinc/91/25/18/718912518.db2.gz ZEUQLMMSDJBYEI-CABCVRRESA-N 2 0 326.444 2.969 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470665 718957653 /nfs/dbraw/zinc/95/76/53/718957653.db2.gz ZZLMOQHVAADSPI-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486748 719002256 /nfs/dbraw/zinc/00/22/56/719002256.db2.gz WJTXJRAMTCRVMH-JKSUJKDBSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515706 719051924 /nfs/dbraw/zinc/05/19/24/719051924.db2.gz MNQXGPUFLIOSJQ-CVEARBPZSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981799160 719052699 /nfs/dbraw/zinc/05/26/99/719052699.db2.gz UQXHCQBUXRLBOS-UHFFFAOYSA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981810314 719070836 /nfs/dbraw/zinc/07/08/36/719070836.db2.gz YJQWGARKOSKFGZ-IBGZPJMESA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981811917 719072054 /nfs/dbraw/zinc/07/20/54/719072054.db2.gz BNEYWZCGNJXYIL-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981839449 719109678 /nfs/dbraw/zinc/10/96/78/719109678.db2.gz XHUHYFWUHOGPMM-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842810 719120972 /nfs/dbraw/zinc/12/09/72/719120972.db2.gz MLDVHBSFWVCWTA-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560044 719130889 /nfs/dbraw/zinc/13/08/89/719130889.db2.gz ZKBSQEKQVJLNBQ-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591292 719183889 /nfs/dbraw/zinc/18/38/89/719183889.db2.gz ZQKJHMLUBXJLHV-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628683 719251580 /nfs/dbraw/zinc/25/15/80/719251580.db2.gz TYYJOLZRVQMLLJ-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982072047 719535255 /nfs/dbraw/zinc/53/52/55/719535255.db2.gz USXGIAPVWPEHHO-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982115795 719573081 /nfs/dbraw/zinc/57/30/81/719573081.db2.gz BMFRWFROVBQINI-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163639 719608315 /nfs/dbraw/zinc/60/83/15/719608315.db2.gz LPDBBHZYEUXQOS-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163575 719608394 /nfs/dbraw/zinc/60/83/94/719608394.db2.gz HQTPWHWMJNSBFK-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC000982169292 719625143 /nfs/dbraw/zinc/62/51/43/719625143.db2.gz XOVAKWOJXFUKLY-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275479 719773993 /nfs/dbraw/zinc/77/39/93/719773993.db2.gz IRSVFHDLRDTKHQ-RLLQIKCJSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281373 719796118 /nfs/dbraw/zinc/79/61/18/719796118.db2.gz UXDQLDJAUJYDDH-OYRHEFFESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982304676 719866128 /nfs/dbraw/zinc/86/61/28/719866128.db2.gz JCMCZTMVVYISGO-BGYRXZFFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]12 ZINC001026391009 720468613 /nfs/dbraw/zinc/46/86/13/720468613.db2.gz AJYHEEBOTQXGOO-GUDVDZBRSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001026425999 720553775 /nfs/dbraw/zinc/55/37/75/720553775.db2.gz IISMXTZDZFNGKP-YSIASYRMSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]12 ZINC001026425997 720553791 /nfs/dbraw/zinc/55/37/91/720553791.db2.gz IISMXTZDZFNGKP-MISYRCLQSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986469039 724691936 /nfs/dbraw/zinc/69/19/36/724691936.db2.gz YMNXOZWMSJHXAH-CJNGLKHVSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001026503324 720678899 /nfs/dbraw/zinc/67/88/99/720678899.db2.gz SFRLHNKXSKOOHD-GPANFISMSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552814 720820239 /nfs/dbraw/zinc/82/02/39/720820239.db2.gz DNAWZIZCPCCONF-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725913 721131826 /nfs/dbraw/zinc/13/18/26/721131826.db2.gz QNWBRUDOOHOOTN-JYAXBFRTSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600071 721198976 /nfs/dbraw/zinc/19/89/76/721198976.db2.gz GECKAVXCYGYKDA-WMZOPIPTSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675311 721265522 /nfs/dbraw/zinc/26/55/22/721265522.db2.gz CGLPSHMOQHYVSC-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675318 721265866 /nfs/dbraw/zinc/26/58/66/721265866.db2.gz CGLPSHMOQHYVSC-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833050 721307101 /nfs/dbraw/zinc/30/71/01/721307101.db2.gz BWQMCGHJYDLDSY-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982834352 721308613 /nfs/dbraw/zinc/30/86/13/721308613.db2.gz XMDHBZPLIFJFKX-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028801670 722005139 /nfs/dbraw/zinc/00/51/39/722005139.db2.gz BFTKWCKMSIFLNG-LJQANCHMSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903650 722085239 /nfs/dbraw/zinc/08/52/39/722085239.db2.gz YVMXTWHAAWNUPC-KRWDZBQOSA-N 2 0 338.455 2.890 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)CC1 ZINC000896208293 723198061 /nfs/dbraw/zinc/19/80/61/723198061.db2.gz BTHKOVOOMKXORY-LJQANCHMSA-N 2 0 345.487 2.501 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802328 723411443 /nfs/dbraw/zinc/41/14/43/723411443.db2.gz XYJYUHMGGUUMNT-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000985800542 724894839 /nfs/dbraw/zinc/89/48/39/724894839.db2.gz HYOICZCREATTRC-LJQANCHMSA-N 2 0 329.488 2.788 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985805869 724899648 /nfs/dbraw/zinc/89/96/48/724899648.db2.gz ZBZQGRZHMWAZAG-GJZGRUSLSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009499 725460057 /nfs/dbraw/zinc/46/00/57/725460057.db2.gz HPOYLDDJLOIEPD-SVFBPWRDSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@@H]12 ZINC000992239038 725638628 /nfs/dbraw/zinc/63/86/28/725638628.db2.gz HSNZUZLBLRRQLQ-CIWUYKSXSA-N 2 0 342.487 2.603 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276802 725666370 /nfs/dbraw/zinc/66/63/70/725666370.db2.gz BGKAWJXVNXZPQN-AZUAARDMSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040723454 725694849 /nfs/dbraw/zinc/69/48/49/725694849.db2.gz JRNSKUYDVLMGOX-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987551435 725748364 /nfs/dbraw/zinc/74/83/64/725748364.db2.gz OCOALCAAWQXQGP-RHSMWYFYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC000992698972 726121264 /nfs/dbraw/zinc/12/12/64/726121264.db2.gz GSLCDDDGNQUZET-DJIMGWMZSA-N 2 0 347.528 2.826 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057819 726207799 /nfs/dbraw/zinc/20/77/99/726207799.db2.gz ZGJUYXBXWHTDCH-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992815744 726252918 /nfs/dbraw/zinc/25/29/18/726252918.db2.gz KRNLMYZCFHKDGM-OKZBNKHCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC000992854587 726300953 /nfs/dbraw/zinc/30/09/53/726300953.db2.gz IHHGUMFLSIYJBE-VAMGGRTRSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC000992855130 726306621 /nfs/dbraw/zinc/30/66/21/726306621.db2.gz UOLFZJDYYUSYJY-XUVXKRRUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC000992858442 726308291 /nfs/dbraw/zinc/30/82/91/726308291.db2.gz ZTLMCVZUVLQPSS-GBESFXJTSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000992931150 726345539 /nfs/dbraw/zinc/34/55/39/726345539.db2.gz NGNNALMYQSKNSU-IPMKNSEASA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498054 727283772 /nfs/dbraw/zinc/28/37/72/727283772.db2.gz DKUIFVYETCYPLZ-QAPCUYQASA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480561 727288720 /nfs/dbraw/zinc/28/87/20/727288720.db2.gz PNMYJCWKHZEQTB-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535369 727299914 /nfs/dbraw/zinc/29/99/14/727299914.db2.gz JKSXWGBMPPOLIQ-MAUKXSAKSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994007543 727579099 /nfs/dbraw/zinc/57/90/99/727579099.db2.gz PMIJKUVITKADQR-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994463811 727760713 /nfs/dbraw/zinc/76/07/13/727760713.db2.gz MKXFQWXCLGOGJL-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994471547 727762351 /nfs/dbraw/zinc/76/23/51/727762351.db2.gz LGFOVAHEIDDLTM-NVXWUHKLSA-N 2 0 333.476 2.890 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991468464 727877996 /nfs/dbraw/zinc/87/79/96/727877996.db2.gz CDIUPGBPIMTEJP-AZUAARDMSA-N 2 0 338.455 2.946 20 30 EFEDRP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000156872886 727993415 /nfs/dbraw/zinc/99/34/15/727993415.db2.gz QUOAGELIRVPJLZ-ZIAGYGMSSA-N 2 0 349.523 2.713 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157396713 728142915 /nfs/dbraw/zinc/14/29/15/728142915.db2.gz OVWOTXYZJOWXAC-OAHLLOKOSA-N 2 0 348.491 2.798 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948417003 728349421 /nfs/dbraw/zinc/34/94/21/728349421.db2.gz UUOUBRZLLXDHSL-QGZVFWFLSA-N 2 0 347.528 2.760 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H](C)C1 ZINC000942179520 728351687 /nfs/dbraw/zinc/35/16/87/728351687.db2.gz BHFTUECDFHVXLX-WBVHZDCISA-N 2 0 332.492 2.719 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849410 729093604 /nfs/dbraw/zinc/09/36/04/729093604.db2.gz QYRJBLPQKYQEJE-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP N#Cc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000069678834 729125135 /nfs/dbraw/zinc/12/51/35/729125135.db2.gz RLMXYKJDJYWADC-UHFFFAOYSA-N 2 0 348.494 2.856 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000939806959 729130057 /nfs/dbraw/zinc/13/00/57/729130057.db2.gz PWHFUZUAOVQTBH-GUYCJALGSA-N 2 0 335.879 2.551 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001574852642 1088121110 /nfs/dbraw/zinc/12/11/10/1088121110.db2.gz XHGURLUKVUIUMU-ROUUACIJSA-N 2 0 349.906 2.825 20 30 EFEDRP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001574867204 1088131227 /nfs/dbraw/zinc/13/12/27/1088131227.db2.gz OKWGLIZVIDBFEA-KRWDZBQOSA-N 2 0 346.523 2.589 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892413 1088141082 /nfs/dbraw/zinc/14/10/82/1088141082.db2.gz CSITVFMKWQUNLP-SLYNCCJLSA-N 2 0 341.499 2.569 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCCC[C@H]([NH3+])C1)C(C)C ZINC001574927308 1088157098 /nfs/dbraw/zinc/15/70/98/1088157098.db2.gz JPXBSXLLIJBKTP-ZWKOTPCHSA-N 2 0 336.524 2.598 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC001574933307 1088161521 /nfs/dbraw/zinc/16/15/21/1088161521.db2.gz PAUNKLDBXPPOID-HNNXBMFYSA-N 2 0 335.517 2.583 20 30 EFEDRP CC(C)[C@H]1[NH2+]CC12CC[NH+](Cc1cc(C#N)ccc1N(C)C)CC2 ZINC001575522171 1088530801 /nfs/dbraw/zinc/53/08/01/1088530801.db2.gz IPTBLMZWIIDHQF-LJQANCHMSA-N 2 0 326.488 2.834 20 30 EFEDRP N#CC1(c2ccc(C[N@@H+]3CCOC4(CCC([NH3+])CC4)C3)cc2)CC1 ZINC001580040628 1090752600 /nfs/dbraw/zinc/75/26/00/1090752600.db2.gz MARYJARTKBXVKH-UHFFFAOYSA-N 2 0 325.456 2.714 20 30 EFEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580049131 1090754443 /nfs/dbraw/zinc/75/44/43/1090754443.db2.gz IJCYUURSAWMIMN-GOSISDBHSA-N 2 0 334.508 2.512 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC001580066165 1090760887 /nfs/dbraw/zinc/76/08/87/1090760887.db2.gz DDTZLBWUSWKKQS-OAHLLOKOSA-N 2 0 335.398 2.981 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523329 1092569845 /nfs/dbraw/zinc/56/98/45/1092569845.db2.gz YROXVQRCJLORDE-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449680 1092862633 /nfs/dbraw/zinc/86/26/33/1092862633.db2.gz PAVRAVLNSIVNLV-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC001075450940 1092922605 /nfs/dbraw/zinc/92/26/05/1092922605.db2.gz IKMGNAGEKKJUDE-KRWDZBQOSA-N 2 0 344.503 2.869 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449844 1093280865 /nfs/dbraw/zinc/28/08/65/1093280865.db2.gz JBEYKKZFTUNNRA-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001104451054 1093290159 /nfs/dbraw/zinc/29/01/59/1093290159.db2.gz RJFBPYFNLHFGCV-RTBURBONSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461459 1093319341 /nfs/dbraw/zinc/31/93/41/1093319341.db2.gz HVELORPUXYXSHE-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461640 1093325322 /nfs/dbraw/zinc/32/53/22/1093325322.db2.gz NJDXSVVNHBADHH-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211625364 1094450980 /nfs/dbraw/zinc/45/09/80/1094450980.db2.gz BRSAIJUKKJZILQ-RBUKOAKNSA-N 2 0 343.515 2.877 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522170 1094770355 /nfs/dbraw/zinc/77/03/55/1094770355.db2.gz JFNKGRYHUVQZTE-ICSRJNTNSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530425 1094873885 /nfs/dbraw/zinc/87/38/85/1094873885.db2.gz UIRURYOJTBRJMI-PXNSSMCTSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001087295892 1095045504 /nfs/dbraw/zinc/04/55/04/1095045504.db2.gz PYMQDWHEGWTBJW-FGTMMUONSA-N 2 0 338.455 2.739 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087307339 1095203064 /nfs/dbraw/zinc/20/30/64/1095203064.db2.gz YDPDOMGZMXGASY-YZGWKJHDSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825673 1095213363 /nfs/dbraw/zinc/21/33/63/1095213363.db2.gz SKUOXMRIHOTPNH-UYAOXDASSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCOCc1nn(C)c2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167826079 1095215343 /nfs/dbraw/zinc/21/53/43/1095215343.db2.gz VWZZFOLSNAQMBL-QGZVFWFLSA-N 2 0 348.535 2.991 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309100 1095233007 /nfs/dbraw/zinc/23/30/07/1095233007.db2.gz ANFQOAOXHCIGKX-YZGWKJHDSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309887 1095238832 /nfs/dbraw/zinc/23/88/32/1095238832.db2.gz NIYJQQFHDDMZEJ-NZSAHSFTSA-N 2 0 333.520 2.510 20 30 EFEDRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001167838181 1095342199 /nfs/dbraw/zinc/34/21/99/1095342199.db2.gz RIALNXWYXQUYRZ-GOSISDBHSA-N 2 0 343.519 2.976 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930100 1095626229 /nfs/dbraw/zinc/62/62/29/1095626229.db2.gz IEDNVBSLADWTIP-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959070 1095790126 /nfs/dbraw/zinc/79/01/26/1095790126.db2.gz XVIUWFVPHUPDTJ-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981958050 1095796557 /nfs/dbraw/zinc/79/65/57/1095796557.db2.gz DALQRFNZAMCAHT-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573148 1096116854 /nfs/dbraw/zinc/11/68/54/1096116854.db2.gz JKACCJAWXNGIOC-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104572994 1096118418 /nfs/dbraw/zinc/11/84/18/1096118418.db2.gz CIWABXGNHKNJAA-QRVBRYPASA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211723722 1096425492 /nfs/dbraw/zinc/42/54/92/1096425492.db2.gz ZVINBWOOOQTZLN-VQTJNVASSA-N 2 0 341.499 2.633 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001269552322 1098238519 /nfs/dbraw/zinc/23/85/19/1098238519.db2.gz BWTBSVQJAMXFKB-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001269552321 1098238549 /nfs/dbraw/zinc/23/85/49/1098238549.db2.gz BWTBSVQJAMXFKB-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001104803827 1098619645 /nfs/dbraw/zinc/61/96/45/1098619645.db2.gz ZBSPKVOHJLMXEB-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167754345 1098830452 /nfs/dbraw/zinc/83/04/52/1098830452.db2.gz NKBDVJMYMFINOP-MRXNPFEDSA-N 2 0 344.503 2.992 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896303 1098930447 /nfs/dbraw/zinc/93/04/47/1098930447.db2.gz SOXPGJYCRSHFON-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896304 1098930683 /nfs/dbraw/zinc/93/06/83/1098930683.db2.gz SOXPGJYCRSHFON-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211675741 1099778086 /nfs/dbraw/zinc/77/80/86/1099778086.db2.gz YHIKHSHVMNXNEV-ZCNNSNEGSA-N 2 0 343.515 2.877 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394127 1100386549 /nfs/dbraw/zinc/38/65/49/1100386549.db2.gz OZSADYMVWWCJKC-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394209 1100398179 /nfs/dbraw/zinc/39/81/79/1100398179.db2.gz QOYJLCBBZLYYGB-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105395591 1100554955 /nfs/dbraw/zinc/55/49/55/1100554955.db2.gz AQIDTHDUIDLPPD-FQEVSTJZSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105395688 1100558020 /nfs/dbraw/zinc/55/80/20/1100558020.db2.gz CZHVSLIDWLGMGX-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602591 1100580731 /nfs/dbraw/zinc/58/07/31/1100580731.db2.gz VSHFSVNHMGDDTA-YESZJQIVSA-N 2 0 341.927 2.971 20 30 EFEDRP C=CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396209 1100582607 /nfs/dbraw/zinc/58/26/07/1100582607.db2.gz JMLPBOKEXQBOJB-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396654 1100587256 /nfs/dbraw/zinc/58/72/56/1100587256.db2.gz RPIQXRRKLUFQNE-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396829 1100611177 /nfs/dbraw/zinc/61/11/77/1100611177.db2.gz WZNCHOATILLZMB-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1CC ZINC001087696865 1100676072 /nfs/dbraw/zinc/67/60/72/1100676072.db2.gz QBTWLBNUXMNWQN-IXDOHACOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087994057 1101164427 /nfs/dbraw/zinc/16/44/27/1101164427.db2.gz PJQXYYUDVFSDGA-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681390 1101560936 /nfs/dbraw/zinc/56/09/36/1101560936.db2.gz GVOVWDYACRNVDM-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104311159 1101572698 /nfs/dbraw/zinc/57/26/98/1101572698.db2.gz VCLINRMYZITWQZ-DJIMGWMZSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167095649 1101620557 /nfs/dbraw/zinc/62/05/57/1101620557.db2.gz FUYSYXRRTVJGBL-RLLQIKCJSA-N 2 0 343.515 2.782 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129505 1101622729 /nfs/dbraw/zinc/62/27/29/1101622729.db2.gz QYZJUFKNZBMJQD-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210254 1101879310 /nfs/dbraw/zinc/87/93/10/1101879310.db2.gz DKGJYSVALKDIMB-UXHICEINSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345828 1101966456 /nfs/dbraw/zinc/96/64/56/1101966456.db2.gz VUJSJDSUMWDVHG-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001167167304 1101972841 /nfs/dbraw/zinc/97/28/41/1101972841.db2.gz FYHSKVYAAMMDOE-HNNXBMFYSA-N 2 0 330.476 2.672 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001482497311 1102351270 /nfs/dbraw/zinc/35/12/70/1102351270.db2.gz DHLCFBBHLFNREW-GDBMZVCRSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256486 1102362158 /nfs/dbraw/zinc/36/21/58/1102362158.db2.gz BUKBXNRTLCNOAJ-KZNAEPCWSA-N 2 0 341.515 2.707 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001104256653 1102363498 /nfs/dbraw/zinc/36/34/98/1102363498.db2.gz JWZQBQUNANWAMD-KZNAEPCWSA-N 2 0 341.515 2.707 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001104258129 1102369474 /nfs/dbraw/zinc/36/94/74/1102369474.db2.gz VOQCKODUWUFADT-HZPDHXFCSA-N 2 0 347.528 2.521 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264839 1102395135 /nfs/dbraw/zinc/39/51/35/1102395135.db2.gz HOYAZUXTWMQTSC-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC(CC)CC)CC1 ZINC001266885561 1102593038 /nfs/dbraw/zinc/59/30/38/1102593038.db2.gz YNQZRODSHDLXDB-HXUWFJFHSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491389 1102754358 /nfs/dbraw/zinc/75/43/58/1102754358.db2.gz UCRMSJAJWWJSQR-ZVDOUQERSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388029 1102783029 /nfs/dbraw/zinc/78/30/29/1102783029.db2.gz ATCRLVLAARSJNG-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352995 1103124141 /nfs/dbraw/zinc/12/41/41/1103124141.db2.gz OCOFIOKTPNBIRU-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381262 1103336956 /nfs/dbraw/zinc/33/69/56/1103336956.db2.gz AOJIWBINZJAHSW-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001088411443 1103484264 /nfs/dbraw/zinc/48/42/64/1103484264.db2.gz HDSRYQYEQQBTCH-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430567 1103580128 /nfs/dbraw/zinc/58/01/28/1103580128.db2.gz SKYCWKWCHWNTAC-KRWDZBQOSA-N 2 0 341.927 2.976 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001483596048 1104038790 /nfs/dbraw/zinc/03/87/90/1104038790.db2.gz UGPZEZVATIJSBY-KRWDZBQOSA-N 2 0 335.879 2.599 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536924 1105905853 /nfs/dbraw/zinc/90/58/53/1105905853.db2.gz KUFAEEUSUZBTRM-OALUTQOASA-N 2 0 345.531 2.633 20 30 EFEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556266 1105931188 /nfs/dbraw/zinc/93/11/88/1105931188.db2.gz DDWHSDSMEJJGAF-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105557058 1105931701 /nfs/dbraw/zinc/93/17/01/1105931701.db2.gz WIXJWFSCYQUCRU-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001105559152 1105937227 /nfs/dbraw/zinc/93/72/27/1105937227.db2.gz LGIFODXKYNNNNQ-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)CCC1 ZINC001105574601 1105960790 /nfs/dbraw/zinc/96/07/90/1105960790.db2.gz BVLCNJAZYJTVSV-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575204 1105962514 /nfs/dbraw/zinc/96/25/14/1105962514.db2.gz UTPPRRPUZXRDDB-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989562917 1106446577 /nfs/dbraw/zinc/44/65/77/1106446577.db2.gz SHMSQHZXENRTHC-WMLDXEAASA-N 2 0 335.879 2.693 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991022706 1107089954 /nfs/dbraw/zinc/08/99/54/1107089954.db2.gz VYYCNYAAUBAPCC-CMKODMSKSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106411 1107501139 /nfs/dbraw/zinc/50/11/39/1107501139.db2.gz FLBYNCCDIFMFBL-MSOLQXFVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387210 1107719390 /nfs/dbraw/zinc/71/93/90/1107719390.db2.gz BHFVUGSSNHQGCW-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392553 1108226383 /nfs/dbraw/zinc/22/63/83/1108226383.db2.gz UZCUWPIEVYHOSY-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990613391 1108391013 /nfs/dbraw/zinc/39/10/13/1108391013.db2.gz JUBSSYZYXJIPCQ-NLWGTHIKSA-N 2 0 333.520 2.939 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1ccnc1 ZINC001272478403 1108452515 /nfs/dbraw/zinc/45/25/15/1108452515.db2.gz KGHSJHNPOCTAHV-QZTJIDSGSA-N 2 0 332.492 2.919 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133121 1108519973 /nfs/dbraw/zinc/51/99/73/1108519973.db2.gz HPNDHAGAKDGGQU-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658846 1108623221 /nfs/dbraw/zinc/62/32/21/1108623221.db2.gz JXVQGXOIQVFJHE-FBBABVLZSA-N 2 0 345.531 2.940 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142983 1108640222 /nfs/dbraw/zinc/64/02/22/1108640222.db2.gz ISLVPVAFKWNXPJ-RLLQIKCJSA-N 2 0 349.563 2.983 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990766521 1109230945 /nfs/dbraw/zinc/23/09/45/1109230945.db2.gz VXOCLRVFLYTHON-DMUMMCEESA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076162008 1109684260 /nfs/dbraw/zinc/68/42/60/1109684260.db2.gz ZELCANHGUCVYNG-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001076162009 1109684292 /nfs/dbraw/zinc/68/42/92/1109684292.db2.gz ZELCANHGUCVYNG-IPMKNSEASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604059 1109943760 /nfs/dbraw/zinc/94/37/60/1109943760.db2.gz KBQYNDMWPOSLIH-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248588 1111216652 /nfs/dbraw/zinc/21/66/52/1111216652.db2.gz UATCMONAELMOIJ-CEXWTWQISA-N 2 0 335.536 2.615 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249659 1111219356 /nfs/dbraw/zinc/21/93/56/1111219356.db2.gz MKCXVFALJMQXCT-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249637 1111219379 /nfs/dbraw/zinc/21/93/79/1111219379.db2.gz LSFYUABRKKBAEL-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202926 1111222975 /nfs/dbraw/zinc/22/29/75/1111222975.db2.gz GTFSWROSYCEURK-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001099202925 1111222999 /nfs/dbraw/zinc/22/29/99/1111222999.db2.gz GTFSWROSYCEURK-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106309196 1111396576 /nfs/dbraw/zinc/39/65/76/1111396576.db2.gz PCVDHIIYDMPFQS-CEXWTWQISA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001106482076 1111571049 /nfs/dbraw/zinc/57/10/49/1111571049.db2.gz FHJKBECXRBWICT-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516921 1111597141 /nfs/dbraw/zinc/59/71/41/1111597141.db2.gz QQDMWPJVZMYGNT-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571011 1111641619 /nfs/dbraw/zinc/64/16/19/1111641619.db2.gz JIDQSCAMSIECOE-CEXWTWQISA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728290 1111769723 /nfs/dbraw/zinc/76/97/23/1111769723.db2.gz CBDWUYWDUQKSDQ-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001106827410 1111886314 /nfs/dbraw/zinc/88/63/14/1111886314.db2.gz WYCFTWSMMRTERG-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106869187 1111932907 /nfs/dbraw/zinc/93/29/07/1111932907.db2.gz VNNDNEPOWJJEFC-RLLQIKCJSA-N 2 0 343.515 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386650 1112048463 /nfs/dbraw/zinc/04/84/63/1112048463.db2.gz RXVNZAOMNLDXLE-MOPGFXCFSA-N 2 0 347.547 2.901 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402091 1112072002 /nfs/dbraw/zinc/07/20/02/1112072002.db2.gz BBXQXWGLKYIXOU-RBUKOAKNSA-N 2 0 347.547 2.594 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403358 1112073200 /nfs/dbraw/zinc/07/32/00/1112073200.db2.gz RLCKEAXTVJHPKW-MOPGFXCFSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2cnccc2OC)CC(C)(C)C1 ZINC001089416457 1112095500 /nfs/dbraw/zinc/09/55/00/1112095500.db2.gz MHSINUQGXADQSX-KRWDZBQOSA-N 2 0 345.487 2.816 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC(C)(C)C1 ZINC001089420114 1112096863 /nfs/dbraw/zinc/09/68/63/1112096863.db2.gz JSVFNHHAFZWICR-OAHLLOKOSA-N 2 0 326.444 2.969 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421871 1112102821 /nfs/dbraw/zinc/10/28/21/1112102821.db2.gz YYKFNQSGDXDWEB-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421869 1112103033 /nfs/dbraw/zinc/10/30/33/1112103033.db2.gz YYKFNQSGDXDWEB-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425952 1112115694 /nfs/dbraw/zinc/11/56/94/1112115694.db2.gz GHWQPWGVRBJVER-MSOLQXFVSA-N 2 0 335.536 2.900 20 30 EFEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089471768 1112196553 /nfs/dbraw/zinc/19/65/53/1112196553.db2.gz ABFPOAYKONROGY-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475510 1112197667 /nfs/dbraw/zinc/19/76/67/1112197667.db2.gz BSHIZVYSHONNGC-MRXNPFEDSA-N 2 0 333.476 2.748 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473518 1112200631 /nfs/dbraw/zinc/20/06/31/1112200631.db2.gz YKJYELFROZYSDK-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483695 1112216184 /nfs/dbraw/zinc/21/61/84/1112216184.db2.gz MQTPEQHWCIGCEJ-INIZCTEOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089537445 1112276472 /nfs/dbraw/zinc/27/64/72/1112276472.db2.gz MKEDUDBNBSPKQO-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534387 1112280035 /nfs/dbraw/zinc/28/00/35/1112280035.db2.gz RBJOFMKZJDMHKT-GOSISDBHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC(C)(C)C1 ZINC001089538543 1112284336 /nfs/dbraw/zinc/28/43/36/1112284336.db2.gz WMGXGZIIQRLNDX-IBGZPJMESA-N 2 0 347.547 2.901 20 30 EFEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC(C)(C)C1 ZINC001089538611 1112284539 /nfs/dbraw/zinc/28/45/39/1112284539.db2.gz XLCPFKOCBQWIKY-RBUKOAKNSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560239 1112308463 /nfs/dbraw/zinc/30/84/63/1112308463.db2.gz AIDHVTIVERBWIR-IBGZPJMESA-N 2 0 345.531 2.515 20 30 EFEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089561127 1112310476 /nfs/dbraw/zinc/31/04/76/1112310476.db2.gz MKXPIJTUORQEMM-IBGZPJMESA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089642424 1112436289 /nfs/dbraw/zinc/43/62/89/1112436289.db2.gz LPHUFSQGQJGLFL-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089645179 1112439002 /nfs/dbraw/zinc/43/90/02/1112439002.db2.gz QVHZHYPRJQCJBT-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC=C(C)C ZINC001089654376 1112529516 /nfs/dbraw/zinc/52/95/16/1112529516.db2.gz XYQANQKPDOQOLU-MOPGFXCFSA-N 2 0 345.531 2.657 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001483914756 1112556179 /nfs/dbraw/zinc/55/61/79/1112556179.db2.gz RALXJICLZXBSPZ-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656356 1112565294 /nfs/dbraw/zinc/56/52/94/1112565294.db2.gz HFQBZENONCJJDE-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663159 1112605082 /nfs/dbraw/zinc/60/50/82/1112605082.db2.gz HWYHHHFJWHLLIZ-RBUKOAKNSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665141 1112619572 /nfs/dbraw/zinc/61/95/72/1112619572.db2.gz VHSZDDDEBXESPJ-KRWDZBQOSA-N 2 0 338.455 2.578 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089704952 1112850079 /nfs/dbraw/zinc/85/00/79/1112850079.db2.gz ADCRTJGMLUZUKF-RTBURBONSA-N 2 0 347.547 2.879 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CCN(CCn3ccnc3)C2=O)CC1 ZINC001272700308 1118455598 /nfs/dbraw/zinc/45/55/98/1118455598.db2.gz VEBUKMIZOJWMBC-UHFFFAOYSA-N 2 0 344.503 2.944 20 30 EFEDRP C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001272703089 1118685609 /nfs/dbraw/zinc/68/56/09/1118685609.db2.gz YZPFSHVSLAQKPY-HXUWFJFHSA-N 2 0 344.503 2.944 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CCC1 ZINC000183834498 1118786048 /nfs/dbraw/zinc/78/60/48/1118786048.db2.gz HSGNLWUJDFNKJW-MRXNPFEDSA-N 2 0 344.503 2.506 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581435 1118989248 /nfs/dbraw/zinc/98/92/48/1118989248.db2.gz GQUCUGYJQXMETL-RDJZCZTQSA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272717136 1118994355 /nfs/dbraw/zinc/99/43/55/1118994355.db2.gz POWIICKAMOXMDY-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875277 1119766351 /nfs/dbraw/zinc/76/63/51/1119766351.db2.gz CVPYFFILRXAFIV-VQIMIIECSA-N 2 0 338.455 2.889 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944046700 1119892786 /nfs/dbraw/zinc/89/27/86/1119892786.db2.gz KKMHFUBLFCANAF-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033088 1119908074 /nfs/dbraw/zinc/90/80/74/1119908074.db2.gz GMMAFYMIZQMMFZ-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C ZINC001107075327 1120270431 /nfs/dbraw/zinc/27/04/31/1120270431.db2.gz VRLBODPSCHDMOW-CRAIPNDOSA-N 2 0 349.906 2.555 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)C[C@@H]2C)CC1 ZINC000945183876 1120663732 /nfs/dbraw/zinc/66/37/32/1120663732.db2.gz UGTMHDQEBQHKAD-FXAWDEMLSA-N 2 0 347.547 2.594 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180989337 234054243 /nfs/dbraw/zinc/05/42/43/234054243.db2.gz MXOLDHIMTFNBRM-OAQYLSRUSA-N 2 0 335.451 2.805 20 30 EFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859778 234356009 /nfs/dbraw/zinc/35/60/09/234356009.db2.gz VSURJESLWGEGBG-NHCUHLMSSA-N 2 0 340.515 2.985 20 30 EFEDRP C[NH+]=C(NC[C@@H]1C[C@@H]1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262448771 240354014 /nfs/dbraw/zinc/35/40/14/240354014.db2.gz VQZNNIPGQMRYAW-QBYUYEEZSA-N 2 0 334.533 2.952 20 30 EFEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718483 216299009 /nfs/dbraw/zinc/29/90/09/216299009.db2.gz AIFLZBDYJABBPE-QGZVFWFLSA-N 2 0 340.471 2.695 20 30 EFEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191430284 239104874 /nfs/dbraw/zinc/10/48/74/239104874.db2.gz BNKBVVUSYBLRBZ-CALCHBBNSA-N 2 0 344.503 2.608 20 30 EFEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@@H](C)O1 ZINC000191430316 239106280 /nfs/dbraw/zinc/10/62/80/239106280.db2.gz BNKBVVUSYBLRBZ-IAGOWNOFSA-N 2 0 344.503 2.608 20 30 EFEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000247247350 240278394 /nfs/dbraw/zinc/27/83/94/240278394.db2.gz PGUCODBBIAAXTE-GHTZIAJQSA-N 2 0 344.499 2.925 20 30 EFEDRP C[NH+]=C(NCc1ccc2ccccc2c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262813974 240368999 /nfs/dbraw/zinc/36/89/99/240368999.db2.gz WCICJJUVTADANP-HXUWFJFHSA-N 2 0 334.467 2.861 20 30 EFEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261951128 240333438 /nfs/dbraw/zinc/33/34/38/240333438.db2.gz HLHCKOGVEUQUDN-TZMCWYRMSA-N 2 0 349.548 2.588 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261972212 240334743 /nfs/dbraw/zinc/33/47/43/240334743.db2.gz DMHWGVAEIGFBFP-MRXNPFEDSA-N 2 0 349.544 2.973 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000262018513 240342324 /nfs/dbraw/zinc/34/23/24/240342324.db2.gz WWFQOFWDPDGHRU-GJZGRUSLSA-N 2 0 346.475 2.695 20 30 EFEDRP CC[C@@H]1CN(C(NC[C@H]2CCC[N@@H+](C(C)C)C2)=[NH+]C)CCS1 ZINC000262021958 240343048 /nfs/dbraw/zinc/34/30/48/240343048.db2.gz WFHXURGXMYPJCU-HZPDHXFCSA-N 2 0 326.554 2.510 20 30 EFEDRP C[NH+]=C(NC1CCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262822813 240371740 /nfs/dbraw/zinc/37/17/40/240371740.db2.gz YTASJMRBNPPAKG-YQQQUEKLSA-N 2 0 326.488 2.900 20 30 EFEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000263183852 240380669 /nfs/dbraw/zinc/38/06/69/240380669.db2.gz WJASWHONZACTAF-UHFFFAOYSA-N 2 0 328.338 2.574 20 30 EFEDRP CC[C@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000264065005 240399528 /nfs/dbraw/zinc/39/95/28/240399528.db2.gz AVNWWOCFKYELER-HNNXBMFYSA-N 2 0 332.492 2.610 20 30 EFEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000329458231 241373989 /nfs/dbraw/zinc/37/39/89/241373989.db2.gz ODPBTPLPRHGOGK-JTDSTZFVSA-N 2 0 345.487 2.583 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417059156 245000988 /nfs/dbraw/zinc/00/09/88/245000988.db2.gz HKXWSWCRADZBNQ-OKZBNKHCSA-N 2 0 336.524 2.502 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430944809 247855028 /nfs/dbraw/zinc/85/50/28/247855028.db2.gz OBIFRVNCUNZLKJ-HNNXBMFYSA-N 2 0 335.517 2.583 20 30 EFEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000442708341 250104175 /nfs/dbraw/zinc/10/41/75/250104175.db2.gz FYQUBVVILRTBKB-RTWAWAEBSA-N 2 0 340.515 2.866 20 30 EFEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000442796901 250119928 /nfs/dbraw/zinc/11/99/28/250119928.db2.gz WKEKSEZTXOHBBU-YQQAZPJKSA-N 2 0 330.451 2.920 20 30 EFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000442813035 250124303 /nfs/dbraw/zinc/12/43/03/250124303.db2.gz AUJVQOLMMQWELS-RTBURBONSA-N 2 0 327.472 2.986 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063510 250156001 /nfs/dbraw/zinc/15/60/01/250156001.db2.gz WSNNATQTDAZIGE-HZPDHXFCSA-N 2 0 335.517 2.712 20 30 EFEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000093844283 218254726 /nfs/dbraw/zinc/25/47/26/218254726.db2.gz ZTZRYWDIJHSZGY-IYBDPMFKSA-N 2 0 331.460 2.863 20 30 EFEDRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000450246065 251313206 /nfs/dbraw/zinc/31/32/06/251313206.db2.gz ZTRJBEDBJJMNBM-NRFANRHFSA-N 2 0 340.515 2.939 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000264094977 285205149 /nfs/dbraw/zinc/20/51/49/285205149.db2.gz MGXCJCJNFVAKIZ-MRXNPFEDSA-N 2 0 332.492 2.502 20 30 EFEDRP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1F ZINC000262683029 533277949 /nfs/dbraw/zinc/27/79/49/533277949.db2.gz XCCPFVJYLXASRJ-BBRMVZONSA-N 2 0 336.842 2.542 20 30 EFEDRP CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+](CC)CC ZINC000359572205 148126980 /nfs/dbraw/zinc/12/69/80/148126980.db2.gz QJMDAHAKVPGOQS-LJQANCHMSA-N 2 0 344.503 2.569 20 30 EFEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000360840515 148466447 /nfs/dbraw/zinc/46/64/47/148466447.db2.gz NYGNNBRCXZUJSF-FQEVSTJZSA-N 2 0 327.472 2.620 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421727 151344918 /nfs/dbraw/zinc/34/49/18/151344918.db2.gz PFUXUTHLIUNEHE-RLLQIKCJSA-N 2 0 343.471 2.511 20 30 EFEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262423351 287343150 /nfs/dbraw/zinc/34/31/50/287343150.db2.gz AXGZQSGROKPZMD-WBVHZDCISA-N 2 0 344.503 2.925 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423485881 270028079 /nfs/dbraw/zinc/02/80/79/270028079.db2.gz RZSIJLDLSMSLCG-IBGZPJMESA-N 2 0 326.488 2.644 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423462855 270028167 /nfs/dbraw/zinc/02/81/67/270028167.db2.gz FFFOBHJYFKZGCD-OALUTQOASA-N 2 0 326.488 2.630 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211306 266153903 /nfs/dbraw/zinc/15/39/03/266153903.db2.gz WAJFNMSCJLJKDU-MAUKXSAKSA-N 2 0 328.460 2.691 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271894488 267180201 /nfs/dbraw/zinc/18/02/01/267180201.db2.gz SZTQQLUTAWQWNE-BEVDRBHNSA-N 2 0 327.472 2.977 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000262492947 274205206 /nfs/dbraw/zinc/20/52/06/274205206.db2.gz JOMCELUAHARSOO-VYDXJSESSA-N 2 0 330.476 2.535 20 30 EFEDRP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CCCO1 ZINC000277196447 274347348 /nfs/dbraw/zinc/34/73/48/274347348.db2.gz DJIHTROSDLRIPB-MRXNPFEDSA-N 2 0 344.503 2.793 20 30 EFEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000174280481 310766734 /nfs/dbraw/zinc/76/67/34/310766734.db2.gz PVEBUVTUXRIFFU-UHFFFAOYSA-N 2 0 338.455 2.843 20 30 EFEDRP C[N@H+](CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000327373978 311245210 /nfs/dbraw/zinc/24/52/10/311245210.db2.gz MOGVXGGKAUNCJW-LJQANCHMSA-N 2 0 345.487 2.542 20 30 EFEDRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000577133739 320080497 /nfs/dbraw/zinc/08/04/97/320080497.db2.gz BSVLMPDJOZHWJD-UHFFFAOYSA-N 2 0 337.471 2.780 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000139059907 473226836 /nfs/dbraw/zinc/22/68/36/473226836.db2.gz ZKIDSFLHQSYQKZ-UHFFFAOYSA-N 2 0 348.535 2.687 20 30 EFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081633648 473236145 /nfs/dbraw/zinc/23/61/45/473236145.db2.gz JHIXFOQKNKQYQM-GOSISDBHSA-N 2 0 340.471 2.551 20 30 EFEDRP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCCn1ccnc1 ZINC000124390657 473240625 /nfs/dbraw/zinc/24/06/25/473240625.db2.gz DTGYDKHEGWPWLP-CYBMUJFWSA-N 2 0 345.834 2.757 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000176951825 473274839 /nfs/dbraw/zinc/27/48/39/473274839.db2.gz SNISLBZYYQJDBS-UHFFFAOYSA-N 2 0 340.496 2.657 20 30 EFEDRP N#Cc1ccc(C[N@@H+]2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000124796272 473305532 /nfs/dbraw/zinc/30/55/32/473305532.db2.gz JAFLNKCKEBCOTM-UHFFFAOYSA-N 2 0 340.515 2.942 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCCCC1 ZINC000083032966 473317731 /nfs/dbraw/zinc/31/77/31/473317731.db2.gz LXLUJIUKZJASMC-DOTOQJQBSA-N 2 0 330.476 2.537 20 30 EFEDRP COc1ccc([C@H](C[NH2+]Cc2cc(C#N)n(C)c2)N2CCCC2)cc1 ZINC000190688606 473361762 /nfs/dbraw/zinc/36/17/62/473361762.db2.gz KIGNYMKYEGFNLO-FQEVSTJZSA-N 2 0 338.455 2.832 20 30 EFEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190778028 473390277 /nfs/dbraw/zinc/39/02/77/473390277.db2.gz BGWCUXUMCUPWOD-UHFFFAOYSA-N 2 0 340.471 2.907 20 30 EFEDRP C#CCNC(=[NH+]CC)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119471248 472558760 /nfs/dbraw/zinc/55/87/60/472558760.db2.gz JRIXWAFWTBLUSD-WOJBJXKFSA-N 2 0 338.499 2.572 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000103338150 472627777 /nfs/dbraw/zinc/62/77/77/472627777.db2.gz DLCZPDOPUPSRGM-UHFFFAOYSA-N 2 0 346.500 2.918 20 30 EFEDRP N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000090970966 472669798 /nfs/dbraw/zinc/66/97/98/472669798.db2.gz RTZQHOAOWDMVSZ-QGLXBCBXSA-N 2 0 340.471 2.860 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000072725182 472708816 /nfs/dbraw/zinc/70/88/16/472708816.db2.gz NQCAHWCXUXMNSL-KRWDZBQOSA-N 2 0 328.460 2.693 20 30 EFEDRP C#CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253124 472732635 /nfs/dbraw/zinc/73/26/35/472732635.db2.gz KARVMBVDODEKTN-ROUUACIJSA-N 2 0 330.472 2.678 20 30 EFEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000157363149 472812441 /nfs/dbraw/zinc/81/24/41/472812441.db2.gz XSRPYFGQOUZUAQ-SFHVURJKSA-N 2 0 346.519 2.510 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000106034141 472819068 /nfs/dbraw/zinc/81/90/68/472819068.db2.gz DGOKNSBSDXGXPW-FQEVSTJZSA-N 2 0 341.499 2.808 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000106341281 472841929 /nfs/dbraw/zinc/84/19/29/472841929.db2.gz UXLOFAMWUMPUKH-UHFFFAOYSA-N 2 0 336.524 2.639 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000073640449 472844317 /nfs/dbraw/zinc/84/43/17/472844317.db2.gz JJPYTDYKAHWSFE-LJQANCHMSA-N 2 0 335.536 2.922 20 30 EFEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000121573501 472875488 /nfs/dbraw/zinc/87/54/88/472875488.db2.gz HKVBCJHKFDOGQK-SFHVURJKSA-N 2 0 335.536 2.948 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000050031530 472975736 /nfs/dbraw/zinc/97/57/36/472975736.db2.gz PNGOLWMALNBEFW-GOSISDBHSA-N 2 0 347.528 2.592 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092801579 472987897 /nfs/dbraw/zinc/98/78/97/472987897.db2.gz ISBXKLDRWMLRNL-SFHVURJKSA-N 2 0 348.535 2.725 20 30 EFEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923938 472990802 /nfs/dbraw/zinc/99/08/02/472990802.db2.gz HFBJEBJKLBUFKD-MISYRCLQSA-N 2 0 325.456 2.540 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000159249277 473012022 /nfs/dbraw/zinc/01/20/22/473012022.db2.gz XUYYGXFXWOMZHK-LJQANCHMSA-N 2 0 348.535 2.687 20 30 EFEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109786197 473123715 /nfs/dbraw/zinc/12/37/15/473123715.db2.gz JPSUHADCZQPYMG-UHFFFAOYSA-N 2 0 328.460 2.693 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000066704201 473141298 /nfs/dbraw/zinc/14/12/98/473141298.db2.gz JEFYCGFQJQGBHV-SFHVURJKSA-N 2 0 336.524 2.591 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160694138 473162120 /nfs/dbraw/zinc/16/21/20/473162120.db2.gz FPAVZRHVWARDNJ-PKOBYXMFSA-N 2 0 330.472 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185383952 473412467 /nfs/dbraw/zinc/41/24/67/473412467.db2.gz MLAAMKXUDCCPSI-KRWDZBQOSA-N 2 0 336.524 2.591 20 30 EFEDRP C=CCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000185400698 473416027 /nfs/dbraw/zinc/41/60/27/473416027.db2.gz CARDFRAUYJKCKO-LPHOPBHVSA-N 2 0 329.488 2.828 20 30 EFEDRP C=CC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000171945689 473488043 /nfs/dbraw/zinc/48/80/43/473488043.db2.gz IGJZGXNNRUDUBH-UHFFFAOYSA-N 2 0 341.499 2.797 20 30 EFEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000178583593 473534392 /nfs/dbraw/zinc/53/43/92/473534392.db2.gz KYTCRJVSDXHVKG-XJKSGUPXSA-N 2 0 329.473 2.953 20 30 EFEDRP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152414908 473559645 /nfs/dbraw/zinc/55/96/45/473559645.db2.gz UYYWZCNINDEBSK-SFANZJOMSA-N 2 0 348.535 2.579 20 30 EFEDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000172398184 473599643 /nfs/dbraw/zinc/59/96/43/473599643.db2.gz SYLRHCUXZZMJRV-INIZCTEOSA-N 2 0 335.455 2.556 20 30 EFEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000172828479 473689719 /nfs/dbraw/zinc/68/97/19/473689719.db2.gz PQJIYUGTGUIQGH-UHFFFAOYSA-N 2 0 328.460 2.551 20 30 EFEDRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000186974943 473791492 /nfs/dbraw/zinc/79/14/92/473791492.db2.gz OSRJQTBUCMKSGL-AWEZNQCLSA-N 2 0 335.879 2.736 20 30 EFEDRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180171584 473818356 /nfs/dbraw/zinc/81/83/56/473818356.db2.gz SPEZLCZSAULCCQ-UHFFFAOYSA-N 2 0 337.471 2.780 20 30 EFEDRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280523 473845849 /nfs/dbraw/zinc/84/58/49/473845849.db2.gz AYJIUBMWQKMDNR-OALUTQOASA-N 2 0 337.471 2.921 20 30 EFEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000269673805 473856488 /nfs/dbraw/zinc/85/64/88/473856488.db2.gz GVOPXSWWAPBCSD-LJQANCHMSA-N 2 0 329.488 2.812 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000264086207 473948990 /nfs/dbraw/zinc/94/89/90/473948990.db2.gz JIGREJNCGAPOCJ-IPMKNSEASA-N 2 0 344.503 2.543 20 30 EFEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264118396 473951807 /nfs/dbraw/zinc/95/18/07/473951807.db2.gz QJSONNBSZBZLLK-OAHLLOKOSA-N 2 0 336.480 2.797 20 30 EFEDRP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000264131854 473952203 /nfs/dbraw/zinc/95/22/03/473952203.db2.gz UCCMQOYZPYGGDM-HZPDHXFCSA-N 2 0 332.492 2.500 20 30 EFEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264117830 473952444 /nfs/dbraw/zinc/95/24/44/473952444.db2.gz TYHYYEWNNJYVJN-KRWDZBQOSA-N 2 0 345.535 2.810 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000264125532 473952604 /nfs/dbraw/zinc/95/26/04/473952604.db2.gz SBTAKTWJZMNNFI-JKSUJKDBSA-N 2 0 332.492 2.500 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264148342 473953130 /nfs/dbraw/zinc/95/31/30/473953130.db2.gz YNSLMPMZAYFRMJ-GFCCVEGCSA-N 2 0 330.354 2.796 20 30 EFEDRP CN(CC[N@H+](C)Cc1ccccc1C(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000180959094 473993584 /nfs/dbraw/zinc/99/35/84/473993584.db2.gz TYXOYIOIVKMXTB-UHFFFAOYSA-N 2 0 342.531 2.946 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174156657 473997384 /nfs/dbraw/zinc/99/73/84/473997384.db2.gz PGCBWXPQKCQDEN-INIZCTEOSA-N 2 0 341.455 2.692 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000236664723 474277688 /nfs/dbraw/zinc/27/76/88/474277688.db2.gz WXUFZMBYYMHEDQ-PMACEKPBSA-N 2 0 341.499 2.516 20 30 EFEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443119 474325286 /nfs/dbraw/zinc/32/52/86/474325286.db2.gz LGUMQFAESXWNHG-HRAATJIYSA-N 2 0 335.451 2.976 20 30 EFEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248758537 474427569 /nfs/dbraw/zinc/42/75/69/474427569.db2.gz DAAGJEBNWNBPPJ-UXPWSPDFSA-N 2 0 327.472 2.815 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905824 474480127 /nfs/dbraw/zinc/48/01/27/474480127.db2.gz WNNHFEOYNJHMNA-KXBFYZLASA-N 2 0 333.451 2.924 20 30 EFEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CC1 ZINC000271552609 474582206 /nfs/dbraw/zinc/58/22/06/474582206.db2.gz WCAGVXAEVJDBPH-LJQANCHMSA-N 2 0 329.488 2.812 20 30 EFEDRP CCNC(NCCCOC1CC[NH+](Cc2ccccc2)CC1)=[NH+]CC ZINC000267278660 474635771 /nfs/dbraw/zinc/63/57/71/474635771.db2.gz GNHOFRWHGBORLW-UHFFFAOYSA-N 2 0 346.519 2.633 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000267295390 474640849 /nfs/dbraw/zinc/64/08/49/474640849.db2.gz SNGYAHWIXGNLEC-UHFFFAOYSA-N 2 0 335.451 2.805 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000267434997 474669468 /nfs/dbraw/zinc/66/94/68/474669468.db2.gz NNXMCMBVYGNCQX-UHFFFAOYSA-N 2 0 332.492 2.649 20 30 EFEDRP C=CCN1CC[C@H]([NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1=O ZINC000337156219 474744775 /nfs/dbraw/zinc/74/47/75/474744775.db2.gz ADHTWYNXZMUGPL-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP COc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000344678461 474778815 /nfs/dbraw/zinc/77/88/15/474778815.db2.gz LGAPALUFCZIJHU-RDJZCZTQSA-N 2 0 331.460 2.950 20 30 EFEDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278719738 474795137 /nfs/dbraw/zinc/79/51/37/474795137.db2.gz MCVIVNHQUMMKLJ-XLIONFOSSA-N 2 0 328.504 2.873 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000273360954 474859777 /nfs/dbraw/zinc/85/97/77/474859777.db2.gz SUILPYFIDKUDFV-CQSZACIVSA-N 2 0 334.464 2.695 20 30 EFEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345149799 474939200 /nfs/dbraw/zinc/93/92/00/474939200.db2.gz ZADRNPCLJGZASN-INIZCTEOSA-N 2 0 342.487 2.569 20 30 EFEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268962787 475096969 /nfs/dbraw/zinc/09/69/69/475096969.db2.gz JOEVWJDODWDZNX-RTWAWAEBSA-N 2 0 342.483 2.556 20 30 EFEDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1COc2ccccc21 ZINC000329649053 475105217 /nfs/dbraw/zinc/10/52/17/475105217.db2.gz BSBPNNOCQYZVLO-KSSFIOAISA-N 2 0 343.471 2.724 20 30 EFEDRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000329810976 475138184 /nfs/dbraw/zinc/13/81/84/475138184.db2.gz MQOKJSBDEJTACC-WBVHZDCISA-N 2 0 345.491 2.558 20 30 EFEDRP C[C@H]1COCC[C@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000287567874 475198125 /nfs/dbraw/zinc/19/81/25/475198125.db2.gz QLMRSDXOIDNVQC-LPHOPBHVSA-N 2 0 327.472 2.785 20 30 EFEDRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330229336 475215649 /nfs/dbraw/zinc/21/56/49/475215649.db2.gz QDLLFKSETCYDEN-IBGZPJMESA-N 2 0 343.471 2.858 20 30 EFEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330240709 475216304 /nfs/dbraw/zinc/21/63/04/475216304.db2.gz WBDUFPHXDWJXRE-CYGHRXIMSA-N 2 0 337.508 2.584 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000361344957 475372648 /nfs/dbraw/zinc/37/26/48/475372648.db2.gz HBMBVPJPKBWBAI-IIHSZXCVSA-N 2 0 344.478 2.984 20 30 EFEDRP Cc1ccnc(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000332046807 475492812 /nfs/dbraw/zinc/49/28/12/475492812.db2.gz KTWPOQNFQAMFKF-UHFFFAOYSA-N 2 0 328.460 2.613 20 30 EFEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346503176 475615530 /nfs/dbraw/zinc/61/55/30/475615530.db2.gz PZJWCZKDNCEHFO-QGZVFWFLSA-N 2 0 348.535 2.771 20 30 EFEDRP C=CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000342738187 475634425 /nfs/dbraw/zinc/63/44/25/475634425.db2.gz TWUNMJDRSWSWCY-UHFFFAOYSA-N 2 0 329.488 2.584 20 30 EFEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677479 475655036 /nfs/dbraw/zinc/65/50/36/475655036.db2.gz HGONOPZFVWLJCL-IAGOWNOFSA-N 2 0 337.427 2.524 20 30 EFEDRP C=C(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(CO)o1 ZINC000352865631 475659139 /nfs/dbraw/zinc/65/91/39/475659139.db2.gz DCKXGPLIMMAUPE-UHFFFAOYSA-N 2 0 349.519 2.566 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000352873094 475660627 /nfs/dbraw/zinc/66/06/27/475660627.db2.gz HYWYBKWPEKOLOY-RDJZCZTQSA-N 2 0 348.491 2.658 20 30 EFEDRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343065211 475735763 /nfs/dbraw/zinc/73/57/63/475735763.db2.gz SSCLJOUTVNUAQE-INIZCTEOSA-N 2 0 342.487 2.542 20 30 EFEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000340194032 475846789 /nfs/dbraw/zinc/84/67/89/475846789.db2.gz GPVPZYGOUVUFHO-UHFFFAOYSA-N 2 0 345.487 2.890 20 30 EFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000368535997 476355347 /nfs/dbraw/zinc/35/53/47/476355347.db2.gz CEARBTCMPFICDB-HNJRGHQBSA-N 2 0 329.488 2.863 20 30 EFEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360839688 476420361 /nfs/dbraw/zinc/42/03/61/476420361.db2.gz IZEHPOFLJCUPTQ-OAQYLSRUSA-N 2 0 340.515 2.943 20 30 EFEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075926 476452134 /nfs/dbraw/zinc/45/21/34/476452134.db2.gz YEOKRCOIRVVULF-MRXNPFEDSA-N 2 0 340.471 2.693 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000422972902 476872827 /nfs/dbraw/zinc/87/28/27/476872827.db2.gz AVUJIUMBPKSWDX-SOLBZPMBSA-N 2 0 330.451 2.773 20 30 EFEDRP C=C(C)CN1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981434 476877413 /nfs/dbraw/zinc/87/74/13/476877413.db2.gz SURFNCYAELCFKN-CTNGQTDRSA-N 3 0 341.499 2.872 20 30 EFEDRP C=C(C)CN1CCC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981437 476877799 /nfs/dbraw/zinc/87/77/99/476877799.db2.gz SURFNCYAELCFKN-TZIWHRDSSA-N 3 0 341.499 2.872 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370651484 476915836 /nfs/dbraw/zinc/91/58/36/476915836.db2.gz QIABBXQQGCPIAJ-SFHVURJKSA-N 2 0 341.499 2.665 20 30 EFEDRP C=CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376344469 477292601 /nfs/dbraw/zinc/29/26/01/477292601.db2.gz RFDKCLQEHIVRFH-KRWDZBQOSA-N 2 0 336.524 2.591 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126012 477299635 /nfs/dbraw/zinc/29/96/35/477299635.db2.gz BAQXXDHXANEBHS-CRAIPNDOSA-N 2 0 328.460 2.878 20 30 EFEDRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143864 477305972 /nfs/dbraw/zinc/30/59/72/477305972.db2.gz GQQFVKJYTJTQFL-INIZCTEOSA-N 2 0 346.500 2.504 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142474 477307094 /nfs/dbraw/zinc/30/70/94/477307094.db2.gz YHJQCOMXABQZTJ-LPHOPBHVSA-N 2 0 342.487 2.556 20 30 EFEDRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424152126 477310297 /nfs/dbraw/zinc/31/02/97/477310297.db2.gz IKGJNDLHQDQSLG-INIZCTEOSA-N 2 0 346.500 2.504 20 30 EFEDRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150410 477310438 /nfs/dbraw/zinc/31/04/38/477310438.db2.gz YNOSXVSNKNYOPS-NEWSRXKRSA-N 2 0 342.487 2.519 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000424163078 477312852 /nfs/dbraw/zinc/31/28/52/477312852.db2.gz XIAXCMUTDZJSBX-GOSISDBHSA-N 2 0 328.460 2.675 20 30 EFEDRP CO[C@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000367460366 477523136 /nfs/dbraw/zinc/52/31/36/477523136.db2.gz ZXLPWAZMOXTLDT-WOJBJXKFSA-N 2 0 336.520 2.772 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368232237 477792934 /nfs/dbraw/zinc/79/29/34/477792934.db2.gz ABPDQSOIRFRYHZ-FRYIKTPZSA-N 2 0 341.499 2.567 20 30 EFEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000559290103 477974309 /nfs/dbraw/zinc/97/43/09/477974309.db2.gz IDOVHKNMYLRSPY-IRXDYDNUSA-N 2 0 342.487 2.665 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000421380798 478063536 /nfs/dbraw/zinc/06/35/36/478063536.db2.gz WDMHTLKMETYLLX-UHFFFAOYSA-N 2 0 332.517 2.612 20 30 EFEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000560693618 478124661 /nfs/dbraw/zinc/12/46/61/478124661.db2.gz DRADEJFBEVZJRN-IBGZPJMESA-N 2 0 332.536 2.951 20 30 EFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536663815 478268144 /nfs/dbraw/zinc/26/81/44/478268144.db2.gz WVELAOQSTPHJQV-FQEVSTJZSA-N 2 0 343.515 2.852 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594453947 478397086 /nfs/dbraw/zinc/39/70/86/478397086.db2.gz PNSYGPKVESZYOF-PKOBYXMFSA-N 2 0 348.535 2.901 20 30 EFEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572050 478583234 /nfs/dbraw/zinc/58/32/34/478583234.db2.gz IRCDMDBSHUXWIA-AUTIYMEDSA-N 2 0 343.471 2.590 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000491628839 478606046 /nfs/dbraw/zinc/60/60/46/478606046.db2.gz LGMLZDMKMCDXCK-UHFFFAOYSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000491657957 478619242 /nfs/dbraw/zinc/61/92/42/478619242.db2.gz AGDDQNVZOHRWNF-UHFFFAOYSA-N 2 0 349.478 2.644 20 30 EFEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000592290892 478854581 /nfs/dbraw/zinc/85/45/81/478854581.db2.gz ITPFKSLJLGOCNY-UHFFFAOYSA-N 2 0 331.504 2.757 20 30 EFEDRP C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595905 478917801 /nfs/dbraw/zinc/91/78/01/478917801.db2.gz PFWWEYDPKDYUKD-RBUKOAKNSA-N 2 0 329.488 2.741 20 30 EFEDRP C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595906 478918768 /nfs/dbraw/zinc/91/87/68/478918768.db2.gz PFWWEYDPKDYUKD-RTBURBONSA-N 2 0 329.488 2.741 20 30 EFEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598599262 478920100 /nfs/dbraw/zinc/92/01/00/478920100.db2.gz IOJRLMDLCTXXCB-IBGZPJMESA-N 2 0 344.503 2.921 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1C)C(C)C ZINC000572873996 478942224 /nfs/dbraw/zinc/94/22/24/478942224.db2.gz ODZFPEAPMJGUKN-RTBURBONSA-N 2 0 329.488 2.810 20 30 EFEDRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000567457874 479107000 /nfs/dbraw/zinc/10/70/00/479107000.db2.gz CDZUGDIFYMUQDR-LJQANCHMSA-N 2 0 340.471 2.940 20 30 EFEDRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H](C#N)CCC#N)CC2)cc1 ZINC000567457873 479107314 /nfs/dbraw/zinc/10/73/14/479107314.db2.gz CDZUGDIFYMUQDR-IBGZPJMESA-N 2 0 340.471 2.940 20 30 EFEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000598994839 479119389 /nfs/dbraw/zinc/11/93/89/479119389.db2.gz UDFAERSAJNYQJG-SFHVURJKSA-N 2 0 326.488 2.849 20 30 EFEDRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000602019095 479141926 /nfs/dbraw/zinc/14/19/26/479141926.db2.gz APCSEYIHLLNTBH-ZDUSSCGKSA-N 2 0 325.391 2.675 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602022054 479143263 /nfs/dbraw/zinc/14/32/63/479143263.db2.gz SRRKLCXOEPKOCI-IBGZPJMESA-N 2 0 333.439 2.852 20 30 EFEDRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322626 479295230 /nfs/dbraw/zinc/29/52/30/479295230.db2.gz OGRMXBDVQJRVPD-OXJNMPFZSA-N 2 0 326.488 2.643 20 30 EFEDRP C[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000593323104 479295251 /nfs/dbraw/zinc/29/52/51/479295251.db2.gz PRXFFHWWGDOVOE-OXJNMPFZSA-N 2 0 326.488 2.643 20 30 EFEDRP COc1ccc([C@H](CCC#N)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000574515450 479302385 /nfs/dbraw/zinc/30/23/85/479302385.db2.gz CLGJMEXPPRJHCH-FQEVSTJZSA-N 2 0 344.503 2.657 20 30 EFEDRP CCc1nc(CN2CCC(C[NH2+]C[C@H](C#N)CCC#N)CC2)cs1 ZINC000574713255 479335217 /nfs/dbraw/zinc/33/52/17/479335217.db2.gz IQQBKBDQJYJNAP-INIZCTEOSA-N 2 0 345.516 2.951 20 30 EFEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392118 479365395 /nfs/dbraw/zinc/36/53/95/479365395.db2.gz LZUZVIYGSJRPAW-OAQYLSRUSA-N 2 0 340.515 2.799 20 30 EFEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390846 479366284 /nfs/dbraw/zinc/36/62/84/479366284.db2.gz UZIPOKHCKCEDKH-JXFKEZNVSA-N 2 0 326.488 2.551 20 30 EFEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392813 479367459 /nfs/dbraw/zinc/36/74/59/479367459.db2.gz NFTTYTKKCXCSOP-WIYYLYMNSA-N 2 0 338.499 2.694 20 30 EFEDRP C[C@H](CCC#N)C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000602508246 479373167 /nfs/dbraw/zinc/37/31/67/479373167.db2.gz LJVYQVFPWJSNPU-UYAOXDASSA-N 2 0 328.504 2.895 20 30 EFEDRP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662052 479376735 /nfs/dbraw/zinc/37/67/35/479376735.db2.gz XKPVHOAYWAZYQX-KRWDZBQOSA-N 2 0 344.503 2.578 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691889 479425526 /nfs/dbraw/zinc/42/55/26/479425526.db2.gz TUYDMHZESSTDQM-RTWAWAEBSA-N 2 0 338.499 2.739 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000593691890 479425765 /nfs/dbraw/zinc/42/57/65/479425765.db2.gz TUYDMHZESSTDQM-SFTDATJTSA-N 2 0 338.499 2.739 20 30 EFEDRP C[C@@H](CCC#N)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665645 479459897 /nfs/dbraw/zinc/45/98/97/479459897.db2.gz WNTAIQUQIIKZQJ-PZJWPPBQSA-N 2 0 340.515 2.818 20 30 EFEDRP C[C@H](CCC#N)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665639 479461163 /nfs/dbraw/zinc/46/11/63/479461163.db2.gz WNTAIQUQIIKZQJ-CTNGQTDRSA-N 2 0 340.515 2.818 20 30 EFEDRP N#CCC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000602831345 479582153 /nfs/dbraw/zinc/58/21/53/479582153.db2.gz NTHBLGBAQOYXAR-HXUWFJFHSA-N 2 0 338.499 2.572 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597218052 479625523 /nfs/dbraw/zinc/62/55/23/479625523.db2.gz GCYVVPFSZNHUFB-UHFFFAOYSA-N 2 0 336.524 2.583 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000578979459 479641966 /nfs/dbraw/zinc/64/19/66/479641966.db2.gz GRIKLGSNCBWCNL-FQEVSTJZSA-N 2 0 346.515 2.865 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000614406223 480298028 /nfs/dbraw/zinc/29/80/28/480298028.db2.gz YCQQXEQHKIZJBJ-UHFFFAOYSA-N 2 0 340.515 2.716 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532012 480422019 /nfs/dbraw/zinc/42/20/19/480422019.db2.gz QQYJHAPOZKBXSZ-ICSRJNTNSA-N 2 0 346.515 2.865 20 30 EFEDRP Cc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C#N ZINC000618192297 480562085 /nfs/dbraw/zinc/56/20/85/480562085.db2.gz BBGCOQYIOASHCG-JOCHJYFZSA-N 2 0 348.494 2.945 20 30 EFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705492 481272899 /nfs/dbraw/zinc/27/28/99/481272899.db2.gz JKJXGEJGHBQLPJ-CMKODMSKSA-N 2 0 330.472 2.970 20 30 EFEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000177506964 533924989 /nfs/dbraw/zinc/92/49/89/533924989.db2.gz ATXVJGQDJSLFDL-IRXDYDNUSA-N 2 0 339.549 2.845 20 30 EFEDRP Fc1ccc(C#CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000154195527 534462178 /nfs/dbraw/zinc/46/21/78/534462178.db2.gz WRXSOWIFRXMUFG-UHFFFAOYSA-N 2 0 330.447 2.754 20 30 EFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516168 521490871 /nfs/dbraw/zinc/49/08/71/521490871.db2.gz JMSLXYDONYRWAM-KRWDZBQOSA-N 2 0 328.460 2.551 20 30 EFEDRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181591810 525468499 /nfs/dbraw/zinc/46/84/99/525468499.db2.gz YHHKIAVBOFPIJV-INIZCTEOSA-N 2 0 335.455 2.556 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000176645550 526371443 /nfs/dbraw/zinc/37/14/43/526371443.db2.gz WHDANPRKEFUCNJ-IRXDYDNUSA-N 2 0 346.544 2.628 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000154476621 527114758 /nfs/dbraw/zinc/11/47/58/527114758.db2.gz STPWYIRFUQYRGH-LJQANCHMSA-N 2 0 343.515 2.767 20 30 EFEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCc2ccccc2OC)c1 ZINC000170910142 527840370 /nfs/dbraw/zinc/84/03/70/527840370.db2.gz FXRSEPJSSZYQOU-UHFFFAOYSA-N 2 0 340.471 2.751 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000764474156 576462178 /nfs/dbraw/zinc/46/21/78/576462178.db2.gz XBICYXGQPFZDNE-UHFFFAOYSA-N 2 0 329.488 2.653 20 30 EFEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001167836619 1249690707 /nfs/dbraw/zinc/69/07/07/1249690707.db2.gz GBXYBFPYDVTLEB-QGZVFWFLSA-N 2 0 329.492 2.586 20 30 EFEDRP C#CC[NH2+][C@H](CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001755342085 1249799898 /nfs/dbraw/zinc/79/98/98/1249799898.db2.gz WOJWERLQDFAYTB-GOSISDBHSA-N 2 0 335.536 2.594 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC000995982513 1254902647 /nfs/dbraw/zinc/90/26/47/1254902647.db2.gz AZYOFVIQQAHZMS-QGZVFWFLSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996186717 1255062607 /nfs/dbraw/zinc/06/26/07/1255062607.db2.gz AXJUUEWHRLTHSN-CVEARBPZSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996186730 1255062740 /nfs/dbraw/zinc/06/27/40/1255062740.db2.gz AXJUUEWHRLTHSN-JKSUJKDBSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996506588 1255370652 /nfs/dbraw/zinc/37/06/52/1255370652.db2.gz MVMYYTGHNLJTNU-NQIIRXRSSA-N 2 0 343.515 2.866 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098819622 1255723566 /nfs/dbraw/zinc/72/35/66/1255723566.db2.gz BSZOHPWOEUJPPW-QUCCMNQESA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC000996696196 1255758929 /nfs/dbraw/zinc/75/89/29/1255758929.db2.gz APJNDEPNOLLLQC-QGZVFWFLSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3nccn3C)CCC[C@@H]12 ZINC001107481364 1255934614 /nfs/dbraw/zinc/93/46/14/1255934614.db2.gz VTSHMWOJOFFAHW-YLJYHZDGSA-N 2 0 344.503 2.680 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485110 1255952762 /nfs/dbraw/zinc/95/27/62/1255952762.db2.gz KDEGPTRIBQAOFE-SVFBPWRDSA-N 2 0 345.531 2.798 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488739 1255984813 /nfs/dbraw/zinc/98/48/13/1255984813.db2.gz VSMDAUJWBFAPRO-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581690 1256198327 /nfs/dbraw/zinc/19/83/27/1256198327.db2.gz IUKKILYENLHBRX-TZIWHRDSSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000996836868 1256230587 /nfs/dbraw/zinc/23/05/87/1256230587.db2.gz LVEJPEXFKUNXOX-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609263 1256288344 /nfs/dbraw/zinc/28/83/44/1256288344.db2.gz LNLMIFLOIQTYTL-NLWGTHIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614182 1256299102 /nfs/dbraw/zinc/29/91/02/1256299102.db2.gz WCNFXUJOFBTRLU-SJLPKXTDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835115 1256820525 /nfs/dbraw/zinc/82/05/25/1256820525.db2.gz KFQNNFNCUQPYGT-BJLQDIEVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997225855 1257269338 /nfs/dbraw/zinc/26/93/38/1257269338.db2.gz WKLIWIZUNJSMOZ-OAHLLOKOSA-N 2 0 326.444 2.741 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997387893 1257562354 /nfs/dbraw/zinc/56/23/54/1257562354.db2.gz QWKJZHCKTIDRFS-UYAOXDASSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997660689 1258183402 /nfs/dbraw/zinc/18/34/02/1258183402.db2.gz YQAJSNKAVIZPIU-HNNXBMFYSA-N 2 0 326.444 2.741 20 30 EFEDRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001168595187 1258364591 /nfs/dbraw/zinc/36/45/91/1258364591.db2.gz GMHKIOKSBQSYHO-UHFFFAOYSA-N 2 0 343.515 2.646 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295695 1267066130 /nfs/dbraw/zinc/06/61/30/1267066130.db2.gz UNOVSFZZKTYURV-HUUCEWRRSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997836814 1258511990 /nfs/dbraw/zinc/51/19/90/1258511990.db2.gz LNNSKXTXQRCLIU-INIZCTEOSA-N 2 0 344.503 2.944 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004204693 1266217931 /nfs/dbraw/zinc/21/79/31/1266217931.db2.gz UAUORRMCGCXWCJ-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006673 1258937484 /nfs/dbraw/zinc/93/74/84/1258937484.db2.gz LTTYMORXGRNPGH-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948643004 1258954287 /nfs/dbraw/zinc/95/42/87/1258954287.db2.gz QBVJIMIDVZLTNT-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020326 1258971594 /nfs/dbraw/zinc/97/15/94/1258971594.db2.gz CIWXFKILEWTSLI-VQTJNVASSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000998054628 1259030583 /nfs/dbraw/zinc/03/05/83/1259030583.db2.gz XUVUNNMSXVDFII-QGZVFWFLSA-N 2 0 338.455 2.593 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998064350 1259056671 /nfs/dbraw/zinc/05/66/71/1259056671.db2.gz RQXISLCDJPWMRB-SFHVURJKSA-N 2 0 338.455 2.674 20 30 EFEDRP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102195 1259113186 /nfs/dbraw/zinc/11/31/86/1259113186.db2.gz LHSDOIAUTDRSQJ-UXHICEINSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999024985 1260163030 /nfs/dbraw/zinc/16/30/30/1260163030.db2.gz SGGFGNVZTRHHTA-UHFFFAOYSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540305 1260449134 /nfs/dbraw/zinc/44/91/34/1260449134.db2.gz PFUXRAMAVMYJNB-ICSRJNTNSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999292841 1260493704 /nfs/dbraw/zinc/49/37/04/1260493704.db2.gz GUHNICDUHYRHSQ-NKELODKYSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000999411212 1260605221 /nfs/dbraw/zinc/60/52/21/1260605221.db2.gz FMBAWALRYQIQKY-UHFFFAOYSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000999412532 1260607372 /nfs/dbraw/zinc/60/73/72/1260607372.db2.gz SPXZFGFNZXOWLD-UHFFFAOYSA-N 2 0 349.906 2.736 20 30 EFEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722260 1261207676 /nfs/dbraw/zinc/20/76/76/1261207676.db2.gz JQZJHRSYKMWSER-LJQANCHMSA-N 2 0 330.472 2.842 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000679444 1261550919 /nfs/dbraw/zinc/55/09/19/1261550919.db2.gz YGWFQUOZXICUPV-MJGOQNOKSA-N 2 0 349.906 2.797 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902616 1261670875 /nfs/dbraw/zinc/67/08/75/1261670875.db2.gz RKTHJPTZGAPIGF-FGYAAKKASA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902618 1261673295 /nfs/dbraw/zinc/67/32/95/1261673295.db2.gz RKTHJPTZGAPIGF-WTGUMLROSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006134752 1261861705 /nfs/dbraw/zinc/86/17/05/1261861705.db2.gz XNYVLZCZXMTRKS-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626166 1262074047 /nfs/dbraw/zinc/07/40/47/1262074047.db2.gz LWQJOTHUDMVBLS-DLBZAZTESA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C12CCC2 ZINC001078655865 1262107847 /nfs/dbraw/zinc/10/78/47/1262107847.db2.gz BCMLZYJDUSKTJI-HZPDHXFCSA-N 2 0 330.476 2.520 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C12CCC2 ZINC001078655864 1262107925 /nfs/dbraw/zinc/10/79/25/1262107925.db2.gz BCMLZYJDUSKTJI-HOTGVXAUSA-N 2 0 330.476 2.520 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078663958 1262148754 /nfs/dbraw/zinc/14/87/54/1262148754.db2.gz WUPDJSLQJTWKNI-ROUUACIJSA-N 2 0 338.455 2.849 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078776437 1262313949 /nfs/dbraw/zinc/31/39/49/1262313949.db2.gz LIHIWMWMGCUNLO-RBUKOAKNSA-N 2 0 345.531 2.702 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078776435 1262314186 /nfs/dbraw/zinc/31/41/86/1262314186.db2.gz LIHIWMWMGCUNLO-MOPGFXCFSA-N 2 0 345.531 2.702 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486220496 1262823722 /nfs/dbraw/zinc/82/37/22/1262823722.db2.gz LWDPURCLHBMXLM-CRAIPNDOSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084599014 1264063567 /nfs/dbraw/zinc/06/35/67/1264063567.db2.gz NBGCCZFVKJBLKP-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701888 1264245702 /nfs/dbraw/zinc/24/57/02/1264245702.db2.gz WTDDQTDFNKAQGF-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853540 1264540934 /nfs/dbraw/zinc/54/09/34/1264540934.db2.gz XWNNQIPDFLXWJJ-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941236 1264716239 /nfs/dbraw/zinc/71/62/39/1264716239.db2.gz WMFFREVVGYZGCG-HBFSDRIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958197 1264763830 /nfs/dbraw/zinc/76/38/30/1264763830.db2.gz PXPBMEJMLXUZLK-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958059 1264764351 /nfs/dbraw/zinc/76/43/51/1264764351.db2.gz JOMYHVUIOXLYDU-HOJAQTOUSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072497 1265077260 /nfs/dbraw/zinc/07/72/60/1265077260.db2.gz CSNXNVQOFYYYBJ-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072498 1265077329 /nfs/dbraw/zinc/07/73/29/1265077329.db2.gz CSNXNVQOFYYYBJ-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080887 1266445629 /nfs/dbraw/zinc/44/56/29/1266445629.db2.gz DYHWMYAWVJFVKG-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592333 1266602601 /nfs/dbraw/zinc/60/26/01/1266602601.db2.gz HZAKQZSLKQFKIU-YRPNKDGESA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171068754 1278287635 /nfs/dbraw/zinc/28/76/35/1278287635.db2.gz GJAGCIYQUOSPHR-IRXDYDNUSA-N 2 0 329.504 2.897 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429746 1266988607 /nfs/dbraw/zinc/98/86/07/1266988607.db2.gz OOEYOEAYIMZGNS-PMACEKPBSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004441333 1267006559 /nfs/dbraw/zinc/00/65/59/1267006559.db2.gz IBFUFFQFBSPOQK-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004444918 1267015741 /nfs/dbraw/zinc/01/57/41/1267015741.db2.gz CENQQWCKWBDFNO-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCC)CC1 ZINC001004456829 1267084783 /nfs/dbraw/zinc/08/47/83/1267084783.db2.gz ILJQMDQWTHQEEA-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004456365 1267085861 /nfs/dbraw/zinc/08/58/61/1267085861.db2.gz FDMVDXGTIGGERJ-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004459432 1267097758 /nfs/dbraw/zinc/09/77/58/1267097758.db2.gz QQQHVWQDCTYVJZ-LJQANCHMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004465280 1267105778 /nfs/dbraw/zinc/10/57/78/1267105778.db2.gz RJWLVSHZTZMRKF-OALUTQOASA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004472175 1267119191 /nfs/dbraw/zinc/11/91/91/1267119191.db2.gz DMLXAMSQOMPBPM-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085334282 1267183670 /nfs/dbraw/zinc/18/36/70/1267183670.db2.gz DCUDFTSZEKBZKT-RTBURBONSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004540101 1267283470 /nfs/dbraw/zinc/28/34/70/1267283470.db2.gz BIWVFOKBEFBWKA-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570383 1267305665 /nfs/dbraw/zinc/30/56/65/1267305665.db2.gz RWSKJOCIALVXTL-AZUAARDMSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570387 1267307366 /nfs/dbraw/zinc/30/73/66/1267307366.db2.gz RWSKJOCIALVXTL-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001004572089 1267310289 /nfs/dbraw/zinc/31/02/89/1267310289.db2.gz ZCYVKATVNSXOPU-WOJBJXKFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595428 1267361418 /nfs/dbraw/zinc/36/14/18/1267361418.db2.gz HCROAUGUCKDRQK-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004595368 1267362067 /nfs/dbraw/zinc/36/20/67/1267362067.db2.gz GCHAAKCEKDNAHN-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595165 1267362260 /nfs/dbraw/zinc/36/22/60/1267362260.db2.gz FWLPBFSWDODZIN-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608015 1267394532 /nfs/dbraw/zinc/39/45/32/1267394532.db2.gz XHECDUAWIMWITG-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148086 1267398656 /nfs/dbraw/zinc/39/86/56/1267398656.db2.gz BOICOQDJZVKPIT-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004618526 1267413180 /nfs/dbraw/zinc/41/31/80/1267413180.db2.gz FRSTVPVHXMFRND-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004619004 1267413381 /nfs/dbraw/zinc/41/33/81/1267413381.db2.gz JBTJXJMBDMFSDQ-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001086602850 1278344601 /nfs/dbraw/zinc/34/46/01/1278344601.db2.gz WPVRHULAOKTQIJ-RBUKOAKNSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273100744 1267674623 /nfs/dbraw/zinc/67/46/23/1267674623.db2.gz DDKOZTREQGGTEV-KRWDZBQOSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728298 1267804148 /nfs/dbraw/zinc/80/41/48/1267804148.db2.gz DIRMMTQFRRZOCI-ZCNNSNEGSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598711 1267964673 /nfs/dbraw/zinc/96/46/73/1267964673.db2.gz YLQQVQVQQROHLS-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781749 1268502984 /nfs/dbraw/zinc/50/29/84/1268502984.db2.gz DMZLFFZHHBKTQJ-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820411 1268655062 /nfs/dbraw/zinc/65/50/62/1268655062.db2.gz ZHCYVHMHPSLTRK-HXUWFJFHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819895 1268656055 /nfs/dbraw/zinc/65/60/55/1268656055.db2.gz LAJQLMCBWSWMNP-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803623 1268738083 /nfs/dbraw/zinc/73/80/83/1268738083.db2.gz OFIXZCXMXHIQOD-OKZBNKHCSA-N 2 0 330.476 2.581 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803849 1268740399 /nfs/dbraw/zinc/74/03/99/1268740399.db2.gz YJRLAGZDWFVDJY-OKZBNKHCSA-N 2 0 330.476 2.581 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507340 1269280342 /nfs/dbraw/zinc/28/03/42/1269280342.db2.gz FKBOKVBGEVKYSJ-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986434 1269398036 /nfs/dbraw/zinc/39/80/36/1269398036.db2.gz DMUBMOBRFKJHFZ-SFHVURJKSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994241 1269448694 /nfs/dbraw/zinc/44/86/94/1269448694.db2.gz GMJOHZQOMMWQLN-MRXNPFEDSA-N 2 0 333.476 2.844 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001410846009 1269793259 /nfs/dbraw/zinc/79/32/59/1269793259.db2.gz DRNCSWBJNTWQLI-JKSUJKDBSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005476024 1270636768 /nfs/dbraw/zinc/63/67/68/1270636768.db2.gz SHQNDFGYMUYLLT-UHFFFAOYSA-N 2 0 335.517 2.922 20 30 EFEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955530 1270687349 /nfs/dbraw/zinc/68/73/49/1270687349.db2.gz ZNQOISAJOFZYRD-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006292909 1270739921 /nfs/dbraw/zinc/73/99/21/1270739921.db2.gz VREXKOWSZVMWOS-MJGOQNOKSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006292914 1270744522 /nfs/dbraw/zinc/74/45/22/1270744522.db2.gz VREXKOWSZVMWOS-PKOBYXMFSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034015271 1270834983 /nfs/dbraw/zinc/83/49/83/1270834983.db2.gz HFBLLJNJWMENFK-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001752942207 1271199472 /nfs/dbraw/zinc/19/94/72/1271199472.db2.gz ZAZNNNTVTSWKIZ-HKUYNNGSSA-N 2 0 335.536 2.737 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001752942208 1271203764 /nfs/dbraw/zinc/20/37/64/1271203764.db2.gz ZAZNNNTVTSWKIZ-IEBWSBKVSA-N 2 0 335.536 2.737 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249621 1271424115 /nfs/dbraw/zinc/42/41/15/1271424115.db2.gz LZTBIWQXNIZWEN-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001034250517 1271425495 /nfs/dbraw/zinc/42/54/95/1271425495.db2.gz RIUXNSPWFMXQLR-DLBZAZTESA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034237662 1271434049 /nfs/dbraw/zinc/43/40/49/1271434049.db2.gz AOANGUBDAZSLTD-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366642 1271787558 /nfs/dbraw/zinc/78/75/58/1271787558.db2.gz BZKVCJGBRKOVEN-ICSRJNTNSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398664 1271894413 /nfs/dbraw/zinc/89/44/13/1271894413.db2.gz PDMMCMSZCZNVNQ-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445500 1271974375 /nfs/dbraw/zinc/97/43/75/1271974375.db2.gz URCQXJNSDZFDKZ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)[NH+](C)C ZINC001411216468 1272030470 /nfs/dbraw/zinc/03/04/70/1272030470.db2.gz LMQYGLUKOWNGOU-ROUUACIJSA-N 2 0 344.503 2.519 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287242 1272092024 /nfs/dbraw/zinc/09/20/24/1272092024.db2.gz OKZMZGSSORGVGU-IBGZPJMESA-N 2 0 341.540 2.506 20 30 EFEDRP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545092 1272261644 /nfs/dbraw/zinc/26/16/44/1272261644.db2.gz ORQQGNPCYPZPHI-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034661204 1272467938 /nfs/dbraw/zinc/46/79/38/1272467938.db2.gz LCLINMWRYRQMQK-BRWVUGGUSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001034685037 1272592136 /nfs/dbraw/zinc/59/21/36/1272592136.db2.gz UEPWJGBFLSOGHW-BRWVUGGUSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005632718 1272642801 /nfs/dbraw/zinc/64/28/01/1272642801.db2.gz PHUFAFGUFTYWLC-UHFFFAOYSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005632774 1272642883 /nfs/dbraw/zinc/64/28/83/1272642883.db2.gz RPWXNTRTLDYACZ-UHFFFAOYSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169133885 1272695470 /nfs/dbraw/zinc/69/54/70/1272695470.db2.gz MLYALJTXBLKTDA-LJDSDSDDSA-N 2 0 334.504 2.685 20 30 EFEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)C2 ZINC001169111946 1272703418 /nfs/dbraw/zinc/70/34/18/1272703418.db2.gz RJUPZZIFQFTTEJ-WKCHPHFGSA-N 2 0 338.499 2.737 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001034754320 1272832557 /nfs/dbraw/zinc/83/25/57/1272832557.db2.gz ZPAWUPUZXWCJPI-VQHPVUNQSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001034779649 1272958483 /nfs/dbraw/zinc/95/84/83/1272958483.db2.gz MHMFUHLLLDCQOZ-HDJSIYSDSA-N 2 0 336.867 2.531 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001034796562 1272990279 /nfs/dbraw/zinc/99/02/79/1272990279.db2.gz IYXZGTGMLXOLSS-KLHDSHLOSA-N 2 0 327.900 2.629 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001108716229 1273396775 /nfs/dbraw/zinc/39/67/75/1273396775.db2.gz LJRIINOIGAYNPW-BQFCYCMXSA-N 2 0 338.455 2.802 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719432 1273400346 /nfs/dbraw/zinc/40/03/46/1273400346.db2.gz RACCHBDBXPMMCF-BZSNNMDCSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108734090 1273412564 /nfs/dbraw/zinc/41/25/64/1273412564.db2.gz NIQTVIPHZDWXOR-LNLFQRSKSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749738 1273445678 /nfs/dbraw/zinc/44/56/78/1273445678.db2.gz JWGQKWDSFRLEDT-SZMVWBNQSA-N 2 0 345.487 2.890 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799983 1273493538 /nfs/dbraw/zinc/49/35/38/1273493538.db2.gz WLUDKIYVXCWBDQ-FHWLQOOXSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035184682 1273752885 /nfs/dbraw/zinc/75/28/85/1273752885.db2.gz HFLRBUFOGJQBKJ-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035185456 1273754683 /nfs/dbraw/zinc/75/46/83/1273754683.db2.gz WHCGMSHCFNUCOI-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035201270 1273771730 /nfs/dbraw/zinc/77/17/30/1273771730.db2.gz TVIFDPVNEKOJIQ-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223668 1273837976 /nfs/dbraw/zinc/83/79/76/1273837976.db2.gz UXXBSTZPJXJQNK-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035227418 1273848587 /nfs/dbraw/zinc/84/85/87/1273848587.db2.gz RHNRSJQBMXAWOA-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035216199 1273877589 /nfs/dbraw/zinc/87/75/89/1273877589.db2.gz VNRJVYFOGGKXMQ-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237014 1273898667 /nfs/dbraw/zinc/89/86/67/1273898667.db2.gz ICZBVXBCWMGFBO-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244573 1273916745 /nfs/dbraw/zinc/91/67/45/1273916745.db2.gz QEHBIMFUQAJAHK-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244571 1273916934 /nfs/dbraw/zinc/91/69/34/1273916934.db2.gz QEHBIMFUQAJAHK-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260150 1273956195 /nfs/dbraw/zinc/95/61/95/1273956195.db2.gz PBYDXHPZGDXBCR-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294805 1274099550 /nfs/dbraw/zinc/09/95/50/1274099550.db2.gz TVKURWCXSXZLRY-ZRNYENFQSA-N 2 0 345.531 2.796 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035707259 1274387469 /nfs/dbraw/zinc/38/74/69/1274387469.db2.gz OALUNYJBTJESDE-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560503 1274418708 /nfs/dbraw/zinc/41/87/08/1274418708.db2.gz DIYAYWBXQVVSIK-SQNIBIBYSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035749927 1274467531 /nfs/dbraw/zinc/46/75/31/1274467531.db2.gz IRKCBFLDSZJFOQ-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773371 1274498609 /nfs/dbraw/zinc/49/86/09/1274498609.db2.gz XRRNKMXYCSGEIU-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814583 1274549124 /nfs/dbraw/zinc/54/91/24/1274549124.db2.gz PIGORXYKVQULMJ-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814986 1274549316 /nfs/dbraw/zinc/54/93/16/1274549316.db2.gz XCAVTEXRQGYIOY-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035835167 1274571706 /nfs/dbraw/zinc/57/17/06/1274571706.db2.gz NFBHWOIRLFCAQX-UHFFFAOYSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836112 1274573256 /nfs/dbraw/zinc/57/32/56/1274573256.db2.gz GHXUOJUQTYEMEH-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035838454 1274576539 /nfs/dbraw/zinc/57/65/39/1274576539.db2.gz YUPTWNVAUOKUAJ-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035856456 1274603873 /nfs/dbraw/zinc/60/38/73/1274603873.db2.gz ONUSCFRVSCIFET-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035858561 1274609010 /nfs/dbraw/zinc/60/90/10/1274609010.db2.gz VSNPCYNPZSEWLK-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C(C)C)C2 ZINC001109773468 1274615208 /nfs/dbraw/zinc/61/52/08/1274615208.db2.gz VZKOSJZOIBIUKN-IKGGRYGDSA-N 2 0 330.476 2.694 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001036097421 1275090234 /nfs/dbraw/zinc/09/02/34/1275090234.db2.gz SRVQJZWPPPOFAP-KBXCAEBGSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112584651 1275319004 /nfs/dbraw/zinc/31/90/04/1275319004.db2.gz BUQNBERRVLMWHI-ICSRJNTNSA-N 2 0 333.520 2.657 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974069 1276271413 /nfs/dbraw/zinc/27/14/13/1276271413.db2.gz HYRDLBWENSVQKN-IRXDYDNUSA-N 2 0 344.503 2.663 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165766 1276312518 /nfs/dbraw/zinc/31/25/18/1276312518.db2.gz NNGSTFSLJZCBED-LJQANCHMSA-N 2 0 341.540 2.506 20 30 EFEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873288 1276564066 /nfs/dbraw/zinc/56/40/66/1276564066.db2.gz LZVVKUXSXCIYHL-HXUWFJFHSA-N 2 0 345.531 2.730 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016478 1276590402 /nfs/dbraw/zinc/59/04/02/1276590402.db2.gz ZQZOHYQIBHGWND-IRLDBZIGSA-N 2 0 349.478 2.746 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174881176 1287234069 /nfs/dbraw/zinc/23/40/69/1287234069.db2.gz ISWVEFUYXBVRLE-MJGOQNOKSA-N 2 0 333.520 2.681 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946856825 1276747926 /nfs/dbraw/zinc/74/79/26/1276747926.db2.gz PTIBJFGYMJKJND-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP CC[NH+]=C(NCC1CCSCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086899634 1276859983 /nfs/dbraw/zinc/85/99/83/1276859983.db2.gz WRCPBJWQCJDESQ-KRWDZBQOSA-N 2 0 338.565 2.655 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001113348250 1277637451 /nfs/dbraw/zinc/63/74/51/1277637451.db2.gz FKDUWZCUVRJSGV-GOSISDBHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113522146 1277992986 /nfs/dbraw/zinc/99/29/86/1277992986.db2.gz XSRDRXUVXWMDND-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609505 1279181801 /nfs/dbraw/zinc/18/18/01/1279181801.db2.gz KAIHTUUDBGWHCL-YSIASYRMSA-N 2 0 341.499 2.631 20 30 EFEDRP C(#CC[N@@H+]1CC[C@H](c2ccccn2)C1)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000792880300 1279233054 /nfs/dbraw/zinc/23/30/54/1279233054.db2.gz CVDBTABBCGOWHA-PMACEKPBSA-N 2 0 346.478 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175273847 1287369343 /nfs/dbraw/zinc/36/93/43/1287369343.db2.gz XTJPPAXJEIPJOK-HNNXBMFYSA-N 2 0 331.932 2.981 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001171197867 1279826685 /nfs/dbraw/zinc/82/66/85/1279826685.db2.gz DYUIYJGQXJDOKV-NSISKUIASA-N 2 0 327.472 2.722 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001171197868 1279827209 /nfs/dbraw/zinc/82/72/09/1279827209.db2.gz DYUIYJGQXJDOKV-VDGAXYAQSA-N 2 0 327.472 2.722 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262668 1287383953 /nfs/dbraw/zinc/38/39/53/1287383953.db2.gz JMWAUZLXGFWQCF-MAUKXSAKSA-N 2 0 327.488 2.650 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144721161 1280051372 /nfs/dbraw/zinc/05/13/72/1280051372.db2.gz AAHOGBYTTYDCLP-UHFFFAOYSA-N 2 0 338.499 2.960 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086623575 1280267563 /nfs/dbraw/zinc/26/75/63/1280267563.db2.gz LPZUVAMSINXCIV-VQTJNVASSA-N 2 0 341.499 2.633 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CCCCCC[NH3+])CC2)c1 ZINC000846701602 1280431684 /nfs/dbraw/zinc/43/16/84/1280431684.db2.gz ZOEAQRGYMRXVOA-UHFFFAOYSA-N 2 0 342.487 2.548 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)o1 ZINC000872145557 1287443504 /nfs/dbraw/zinc/44/35/04/1287443504.db2.gz UCPSLDZQZUGGIQ-UHFFFAOYSA-N 2 0 339.443 2.721 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702290 1280982669 /nfs/dbraw/zinc/98/26/69/1280982669.db2.gz UYGJBFOHEBZFNQ-HZPDHXFCSA-N 2 0 329.916 2.878 20 30 EFEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702649 1280983093 /nfs/dbraw/zinc/98/30/93/1280983093.db2.gz YQWMBLXPAOTHAL-JKSUJKDBSA-N 2 0 333.476 2.631 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541796 1281198883 /nfs/dbraw/zinc/19/88/83/1281198883.db2.gz XJFNLWVVCIUQBJ-ZWKOTPCHSA-N 2 0 333.520 2.748 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573310 1281209154 /nfs/dbraw/zinc/20/91/54/1281209154.db2.gz ZYIOPFZFWCGMCP-IBGZPJMESA-N 2 0 347.547 2.833 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658273 1281230516 /nfs/dbraw/zinc/23/05/16/1281230516.db2.gz NWAPVKRMXUSMQJ-IRXDYDNUSA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147717563 1281245003 /nfs/dbraw/zinc/24/50/03/1281245003.db2.gz ZPSUHYRRLLNKQO-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742889 1281260853 /nfs/dbraw/zinc/26/08/53/1281260853.db2.gz SIWDKEYPHDLIFO-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147842249 1281316305 /nfs/dbraw/zinc/31/63/05/1281316305.db2.gz ZDCBDYLLCUMRRN-MOPGFXCFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147842250 1281316690 /nfs/dbraw/zinc/31/66/90/1281316690.db2.gz ZDCBDYLLCUMRRN-OALUTQOASA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091674093 1281419078 /nfs/dbraw/zinc/41/90/78/1281419078.db2.gz NADGNDDJOVULEX-UEXGIBASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001148153027 1281429983 /nfs/dbraw/zinc/42/99/83/1281429983.db2.gz GHAFIVOEYDKDDI-INIZCTEOSA-N 2 0 345.487 2.844 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292509 1281496121 /nfs/dbraw/zinc/49/61/21/1281496121.db2.gz ITPCFUSVQJWRBT-ROUUACIJSA-N 2 0 335.536 2.689 20 30 EFEDRP C[C@@H](C#N)c1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001148616552 1281681165 /nfs/dbraw/zinc/68/11/65/1281681165.db2.gz YOWXSJIISQXSDY-KRWDZBQOSA-N 2 0 344.503 2.659 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827920 1281756490 /nfs/dbraw/zinc/75/64/90/1281756490.db2.gz RNNUJHDAQFOCHF-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001148833830 1281760402 /nfs/dbraw/zinc/76/04/02/1281760402.db2.gz NAJFPHCNDKOVNN-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833756 1281760678 /nfs/dbraw/zinc/76/06/78/1281760678.db2.gz ILSQOJLAVOHIPC-OALUTQOASA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900119 1281799678 /nfs/dbraw/zinc/79/96/78/1281799678.db2.gz SAEHGCMXUQXDTO-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785804 1287528398 /nfs/dbraw/zinc/52/83/98/1287528398.db2.gz OHGNQOOCVKFTPT-RTBURBONSA-N 2 0 347.547 2.929 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086882318 1281870968 /nfs/dbraw/zinc/87/09/68/1281870968.db2.gz LNZSYYLFYWZRSK-FUHWJXTLSA-N 2 0 329.488 2.812 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086922896 1281933562 /nfs/dbraw/zinc/93/35/62/1281933562.db2.gz CSJSQECVCGGVKC-HKUYNNGSSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086922898 1281934357 /nfs/dbraw/zinc/93/43/57/1281934357.db2.gz CSJSQECVCGGVKC-MJGOQNOKSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086924940 1281943355 /nfs/dbraw/zinc/94/33/55/1281943355.db2.gz GXXHZYRSAUGNLG-GBESFXJTSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926232 1281946053 /nfs/dbraw/zinc/94/60/53/1281946053.db2.gz SJFDZDPOWIPIFQ-RBUKOAKNSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943206 1281975567 /nfs/dbraw/zinc/97/55/67/1281975567.db2.gz NWBONBLHTJPBAG-HOTGVXAUSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086955967 1282024823 /nfs/dbraw/zinc/02/48/23/1282024823.db2.gz ARRDTTPPESDQIW-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091879781 1282210341 /nfs/dbraw/zinc/21/03/41/1282210341.db2.gz RRBVIAISBGVAOE-DYXWJJEUSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947424 1282274595 /nfs/dbraw/zinc/27/45/95/1282274595.db2.gz GOFFMPJSXZEIQI-LMNJBCLMSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101498 1282400684 /nfs/dbraw/zinc/40/06/84/1282400684.db2.gz GWACFRFSVUNSNK-CTNGQTDRSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302860 1282549005 /nfs/dbraw/zinc/54/90/05/1282549005.db2.gz AVZZTJJNOYRODV-DYXWJJEUSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@]2(C)C1 ZINC001092312852 1282562778 /nfs/dbraw/zinc/56/27/78/1282562778.db2.gz IJBYDNMFZWCFDJ-UZLBHIALSA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102060 1287598156 /nfs/dbraw/zinc/59/81/56/1287598156.db2.gz WFUPSRCOMKQETR-DLBZAZTESA-N 2 0 331.504 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782699 1283027464 /nfs/dbraw/zinc/02/74/64/1283027464.db2.gz WIXAGPYLRSLPTP-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206827 1283157474 /nfs/dbraw/zinc/15/74/74/1283157474.db2.gz OEZVJSNRMIEJEJ-QZTJIDSGSA-N 2 0 333.520 2.633 20 30 EFEDRP CN(C)/C=[NH+]/c1ccc(N2c3ccccc3OC[C@@H]2C[NH3+])cc1C#N ZINC001171392318 1283176479 /nfs/dbraw/zinc/17/64/79/1283176479.db2.gz CELLEWALAVLJIP-QPNANDPSSA-N 2 0 335.411 2.637 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](C)C1 ZINC001093121168 1283263649 /nfs/dbraw/zinc/26/36/49/1283263649.db2.gz YPUVNFIHZYNHIY-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731406 1283293594 /nfs/dbraw/zinc/29/35/94/1283293594.db2.gz SSBZVZZFRYISHU-WBVHZDCISA-N 2 0 347.528 2.922 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754256 1283420198 /nfs/dbraw/zinc/42/01/98/1283420198.db2.gz CQSNRDFCBXTPNA-IEBWSBKVSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762212 1283477206 /nfs/dbraw/zinc/47/72/06/1283477206.db2.gz HADVVKDZBVOQEH-IEBWSBKVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225488 1283514808 /nfs/dbraw/zinc/51/48/08/1283514808.db2.gz MDVBAOUHOOGBEP-RHSMWYFYSA-N 2 0 349.906 2.798 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426463 1283552715 /nfs/dbraw/zinc/55/27/15/1283552715.db2.gz XRVLHMCBPCUJDZ-ZWKOTPCHSA-N 2 0 341.540 2.504 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176022994 1287659671 /nfs/dbraw/zinc/65/96/71/1287659671.db2.gz FEEGELCVLICBMI-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001093376559 1283827410 /nfs/dbraw/zinc/82/74/10/1283827410.db2.gz ADFGISJSJUWFPG-XLIONFOSSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379491 1283839855 /nfs/dbraw/zinc/83/98/55/1283839855.db2.gz AMFANZCPEAUADU-RBUKOAKNSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382606 1283851750 /nfs/dbraw/zinc/85/17/50/1283851750.db2.gz BHQCNHPJXMGNCS-HXUWFJFHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820871 1284061303 /nfs/dbraw/zinc/06/13/03/1284061303.db2.gz QDJDZZHRORZVBT-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841623 1284239142 /nfs/dbraw/zinc/23/91/42/1284239142.db2.gz AVSKIRFOAJDVNO-PMACEKPBSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854186 1284329404 /nfs/dbraw/zinc/32/94/04/1284329404.db2.gz HNQUTXORERSIAI-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132823663 1284333931 /nfs/dbraw/zinc/33/39/31/1284333931.db2.gz KBSDKZONBXTBBL-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867463 1284441807 /nfs/dbraw/zinc/44/18/07/1284441807.db2.gz VPLNLMONNDZTTJ-PMACEKPBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112443 1287713587 /nfs/dbraw/zinc/71/35/87/1287713587.db2.gz SDRCQUFPXWFORV-QGZVFWFLSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132923250 1284471706 /nfs/dbraw/zinc/47/17/06/1284471706.db2.gz FVFRYZFTOXQEGD-MOPGFXCFSA-N 2 0 347.547 2.903 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120220 1287716222 /nfs/dbraw/zinc/71/62/22/1287716222.db2.gz KZTXJVQANBHKOF-PKOBYXMFSA-N 2 0 329.488 2.577 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941927 1284497100 /nfs/dbraw/zinc/49/71/00/1284497100.db2.gz SPAHPOPAUDKANE-QZTJIDSGSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941009 1284497468 /nfs/dbraw/zinc/49/74/68/1284497468.db2.gz DJDBFTLZJUQLBD-ZWKOTPCHSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132949652 1284509636 /nfs/dbraw/zinc/50/96/36/1284509636.db2.gz FJEYATPPHAHPEL-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973054 1284531835 /nfs/dbraw/zinc/53/18/35/1284531835.db2.gz HUTDUZRNZWYCJI-BBRMVZONSA-N 2 0 346.862 2.775 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120257 1287718926 /nfs/dbraw/zinc/71/89/26/1287718926.db2.gz MBKXWYVHOGLPOH-QUCCMNQESA-N 2 0 343.515 2.967 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973737 1284534235 /nfs/dbraw/zinc/53/42/35/1284534235.db2.gz PWBMJJPVKZNCAV-WBVHZDCISA-N 2 0 326.444 2.598 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001133016667 1284626538 /nfs/dbraw/zinc/62/65/38/1284626538.db2.gz PAPXGFSVJKPCRH-MJGOQNOKSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133039652 1284665618 /nfs/dbraw/zinc/66/56/18/1284665618.db2.gz UBWSVLGZZZRJCA-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133063862 1284730245 /nfs/dbraw/zinc/73/02/45/1284730245.db2.gz JITVKXZLVQGEGC-SJLPKXTDSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192047 1287733837 /nfs/dbraw/zinc/73/38/37/1287733837.db2.gz CVSZPKVMNVRGQW-MRXNPFEDSA-N 2 0 332.492 2.992 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121979 1284831863 /nfs/dbraw/zinc/83/18/63/1284831863.db2.gz NCNQZMJGAYCEED-ZWKOTPCHSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001133185466 1284950377 /nfs/dbraw/zinc/95/03/77/1284950377.db2.gz DJOBOHXDTRFQAQ-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001133185463 1284950496 /nfs/dbraw/zinc/95/04/96/1284950496.db2.gz DJOBOHXDTRFQAQ-MOPGFXCFSA-N 2 0 335.536 2.596 20 30 EFEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133246279 1285047699 /nfs/dbraw/zinc/04/76/99/1285047699.db2.gz TUKIIMNRMURLDQ-OALUTQOASA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434177 1285078765 /nfs/dbraw/zinc/07/87/65/1285078765.db2.gz VLTRMJSSYLZNSB-SFHLNBCPSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450654 1285119148 /nfs/dbraw/zinc/11/91/48/1285119148.db2.gz YATISBBFMSYBIU-JFIYKMOQSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497648 1285158752 /nfs/dbraw/zinc/15/87/52/1285158752.db2.gz FVIHLLAMBGDITG-PNYFIKQUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337752 1285217087 /nfs/dbraw/zinc/21/70/87/1285217087.db2.gz PHDSOIPTRXMTNP-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133341620 1285221251 /nfs/dbraw/zinc/22/12/51/1285221251.db2.gz JIBMSRYRGOZCJB-WMZOPIPTSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094581794 1285351244 /nfs/dbraw/zinc/35/12/44/1285351244.db2.gz FSYKHVSDPUCUTR-TZIWHRDSSA-N 2 0 341.499 2.909 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+](CC)CC ZINC001133407377 1285366189 /nfs/dbraw/zinc/36/61/89/1285366189.db2.gz FIFLCELOLNCPRI-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CCCC)CCC[C@@H]12 ZINC001094556581 1285366538 /nfs/dbraw/zinc/36/65/38/1285366538.db2.gz ZHKQAWKWSVJGBY-QKNQBKEWSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902698 1285382950 /nfs/dbraw/zinc/38/29/50/1285382950.db2.gz OCPIGHYPOXJZPE-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001171578756 1285658417 /nfs/dbraw/zinc/65/84/17/1285658417.db2.gz HUHVYVFGWDRZMQ-UHFFFAOYSA-N 2 0 349.906 2.519 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171630243 1285663148 /nfs/dbraw/zinc/66/31/48/1285663148.db2.gz ZJVREADYSWVJNW-HNNXBMFYSA-N 2 0 326.444 2.544 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171918185 1285902810 /nfs/dbraw/zinc/90/28/10/1285902810.db2.gz MCYIUZRWYHLZEP-RDJZCZTQSA-N 2 0 341.927 2.878 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171922886 1285922728 /nfs/dbraw/zinc/92/27/28/1285922728.db2.gz BIMRGPHQYIOQHL-GOSISDBHSA-N 2 0 335.536 2.786 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924719 1285926383 /nfs/dbraw/zinc/92/63/83/1285926383.db2.gz SQDXXOCHEFADNR-GOSISDBHSA-N 2 0 335.536 2.786 20 30 EFEDRP C#CCOCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977051 1285960323 /nfs/dbraw/zinc/96/03/23/1285960323.db2.gz WSDSBGXDHPBBJL-FQEVSTJZSA-N 2 0 344.499 2.686 20 30 EFEDRP CCCCCCC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856819 1286033044 /nfs/dbraw/zinc/03/30/44/1286033044.db2.gz RUXHCYUPTLNUNC-SFHVURJKSA-N 2 0 329.504 2.875 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001172300785 1286089156 /nfs/dbraw/zinc/08/91/56/1286089156.db2.gz ZHHRWKWDBFUQHL-QGZVFWFLSA-N 2 0 341.499 2.970 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001172299949 1286111615 /nfs/dbraw/zinc/11/16/15/1286111615.db2.gz PRNPZINPSPAWDS-VDGAXYAQSA-N 2 0 327.472 2.722 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133917722 1286114065 /nfs/dbraw/zinc/11/40/65/1286114065.db2.gz DQIIFIWASWVESU-UHFFFAOYSA-N 2 0 331.504 2.613 20 30 EFEDRP C[C@@H](CCCC#N)[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC001172476360 1286142279 /nfs/dbraw/zinc/14/22/79/1286142279.db2.gz KFGGGLSIWCGABD-KRWDZBQOSA-N 2 0 331.460 2.570 20 30 EFEDRP C[C@H](CCCC#N)[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001172496263 1286170774 /nfs/dbraw/zinc/17/07/74/1286170774.db2.gz ZAXQFOSTOBWQTE-QGZVFWFLSA-N 2 0 329.492 2.933 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094932979 1286220405 /nfs/dbraw/zinc/22/04/05/1286220405.db2.gz QCHIAFJJJZBRPK-BPUTZDHNSA-N 2 0 333.501 2.578 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001095061399 1286471010 /nfs/dbraw/zinc/47/10/10/1286471010.db2.gz VQBPKJXLEGIXAB-SXLOBPIMSA-N 2 0 341.499 2.907 20 30 EFEDRP COCCN1CCOC[C@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336128 1286530322 /nfs/dbraw/zinc/53/03/22/1286530322.db2.gz OVNCXLCUIQKCNU-SOAGJPPSSA-N 2 0 349.519 2.520 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239184 1289080957 /nfs/dbraw/zinc/08/09/57/1289080957.db2.gz VQQDKXOMXPPDEO-GJZGRUSLSA-N 2 0 327.900 2.582 20 30 EFEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001173319150 1286538999 /nfs/dbraw/zinc/53/89/99/1286538999.db2.gz ZYJGZFWSGHBFSG-UHFFFAOYSA-N 2 0 329.488 2.931 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134370246 1286642667 /nfs/dbraw/zinc/64/26/67/1286642667.db2.gz ZFRJWSIXWGYCQW-CABCVRRESA-N 2 0 329.916 2.876 20 30 EFEDRP C[NH+]1CCN(Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CC1 ZINC001173586535 1286707684 /nfs/dbraw/zinc/70/76/84/1286707684.db2.gz UULLUUKFDLQEMU-UHFFFAOYSA-N 2 0 340.515 2.996 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203256292 1286761491 /nfs/dbraw/zinc/76/14/91/1286761491.db2.gz HIBVAWITESHHTC-SJORKVTESA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174650353 1287117157 /nfs/dbraw/zinc/11/71/57/1287117157.db2.gz QIXWGWOIDXKNHQ-HNNXBMFYSA-N 2 0 329.916 2.878 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772758 1287170339 /nfs/dbraw/zinc/17/03/39/1287170339.db2.gz HJQWLZDMYBWAIL-QZTJIDSGSA-N 2 0 343.515 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CCCC2)CC1 ZINC001176738143 1288088846 /nfs/dbraw/zinc/08/88/46/1288088846.db2.gz PCOVMPGNKYIGKB-GOSISDBHSA-N 2 0 347.547 2.786 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC2CC(C)C2)CC1 ZINC001176739816 1288089875 /nfs/dbraw/zinc/08/98/75/1288089875.db2.gz ZXKMUKNBQFNXIZ-XBMUEBEBSA-N 2 0 347.547 2.642 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165727565 1312671258 /nfs/dbraw/zinc/67/12/58/1312671258.db2.gz DMNFUBXMHHOPOY-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176754347 1288120684 /nfs/dbraw/zinc/12/06/84/1288120684.db2.gz TWIVMLPUCKFAGE-KRWDZBQOSA-N 2 0 344.503 2.663 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001176926436 1288176826 /nfs/dbraw/zinc/17/68/26/1288176826.db2.gz MIKBXDKCVDHFHE-FQEVSTJZSA-N 2 0 341.499 2.579 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001177433441 1288438139 /nfs/dbraw/zinc/43/81/39/1288438139.db2.gz GBKLNUKWQSEMDR-HXUWFJFHSA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001177484588 1288445599 /nfs/dbraw/zinc/44/55/99/1288445599.db2.gz GPUBFYKKGMTEFT-OALUTQOASA-N 2 0 347.547 2.881 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001177484931 1288445730 /nfs/dbraw/zinc/44/57/30/1288445730.db2.gz ODOYYZOGIJKNNG-OALUTQOASA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477791 1288464268 /nfs/dbraw/zinc/46/42/68/1288464268.db2.gz MIINUDXIPHHMGI-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902656 1288570353 /nfs/dbraw/zinc/57/03/53/1288570353.db2.gz XDMJLAYPOZLVMV-IRXDYDNUSA-N 2 0 335.536 2.948 20 30 EFEDRP C#Cc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000817414004 1288591214 /nfs/dbraw/zinc/59/12/14/1288591214.db2.gz PLVYCJZDLPEDIF-UHFFFAOYSA-N 2 0 325.500 2.660 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001178483889 1288801231 /nfs/dbraw/zinc/80/12/31/1288801231.db2.gz JNBVFMRXZDYJPG-DLBZAZTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612327 1288837773 /nfs/dbraw/zinc/83/77/73/1288837773.db2.gz UVOQIARRFRJIDR-QGZVFWFLSA-N 2 0 329.504 2.899 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634447 1288846791 /nfs/dbraw/zinc/84/67/91/1288846791.db2.gz VGVQTEOPHGBFIS-INIZCTEOSA-N 2 0 329.916 2.880 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693249 1288873093 /nfs/dbraw/zinc/87/30/93/1288873093.db2.gz MPJUDMVJUSGXTF-LJQANCHMSA-N 2 0 333.520 2.683 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001178732286 1288887467 /nfs/dbraw/zinc/88/74/67/1288887467.db2.gz PRZRSQZQPABYRX-YZGWKJHDSA-N 2 0 341.499 2.521 20 30 EFEDRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001179609557 1289198090 /nfs/dbraw/zinc/19/80/90/1289198090.db2.gz WAYMKDXPEDWJOT-IBGZPJMESA-N 2 0 344.503 2.665 20 30 EFEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001179654246 1289206593 /nfs/dbraw/zinc/20/65/93/1289206593.db2.gz HAVNEQTWDOPBCT-UXHICEINSA-N 2 0 343.515 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001179891983 1289292458 /nfs/dbraw/zinc/29/24/58/1289292458.db2.gz LOKXZYMNXPTBEP-UHFFFAOYSA-N 2 0 329.916 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912963 1312703334 /nfs/dbraw/zinc/70/33/34/1312703334.db2.gz ZQNYUXHUQJKRJM-UHFFFAOYSA-N 2 0 346.862 2.885 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912119 1312703658 /nfs/dbraw/zinc/70/36/58/1312703658.db2.gz MSFBUQKTOHOYAF-UHFFFAOYSA-N 2 0 326.444 2.709 20 30 EFEDRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001180123293 1289425583 /nfs/dbraw/zinc/42/55/83/1289425583.db2.gz FUUHZCYUGBXSDX-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180147839 1289434585 /nfs/dbraw/zinc/43/45/85/1289434585.db2.gz CVCJOOSQUBDUOO-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCCC)[C@@H]2C)CC1 ZINC001180204118 1289442617 /nfs/dbraw/zinc/44/26/17/1289442617.db2.gz HODNEGNTEFOLNG-ICSRJNTNSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001180446643 1289526276 /nfs/dbraw/zinc/52/62/76/1289526276.db2.gz WRGJRDWYZPIQHY-UHFFFAOYSA-N 2 0 333.476 2.634 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993009 1312715060 /nfs/dbraw/zinc/71/50/60/1312715060.db2.gz NPRFMUCDXMOZCN-UHFFFAOYSA-N 2 0 326.444 2.790 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171061070 1289735597 /nfs/dbraw/zinc/73/55/97/1289735597.db2.gz QCEXPQNOJIUHDK-LSDHHAIUSA-N 2 0 335.895 2.683 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181440335 1289807884 /nfs/dbraw/zinc/80/78/84/1289807884.db2.gz DHYGZRZHUXPHRG-QGPMSJSTSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181442116 1289810194 /nfs/dbraw/zinc/81/01/94/1289810194.db2.gz XUWIGFWOWSUGEI-WSTZPKSXSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181746275 1289926787 /nfs/dbraw/zinc/92/67/87/1289926787.db2.gz PGYAYQNVGOZHQQ-ZIFCJYIRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114627213 1290046238 /nfs/dbraw/zinc/04/62/38/1290046238.db2.gz RZBOOWPZYZZKDE-VXNCWWDNSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007754 1290057398 /nfs/dbraw/zinc/05/73/98/1290057398.db2.gz YCNAZBRUWCQPBD-IEBWSBKVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182018701 1290061278 /nfs/dbraw/zinc/06/12/78/1290061278.db2.gz NOULDFZPAHOJKQ-FZKQIMNGSA-N 2 0 346.862 2.775 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182124985 1290079592 /nfs/dbraw/zinc/07/95/92/1290079592.db2.gz IAWWCZGVLHJIEJ-DNVCBOLYSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182402378 1290181826 /nfs/dbraw/zinc/18/18/26/1290181826.db2.gz WMKPCUKGFHKXLH-ZIFCJYIRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389125 1312769896 /nfs/dbraw/zinc/76/98/96/1312769896.db2.gz BJWMVZGDNVZLSD-SFHVURJKSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576195 1290369340 /nfs/dbraw/zinc/36/93/40/1290369340.db2.gz FKJIFZZDCOTDQB-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184651568 1290488952 /nfs/dbraw/zinc/48/89/52/1290488952.db2.gz GGMXEVDATFNGOU-MOPGFXCFSA-N 2 0 347.547 2.903 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184682247 1290499016 /nfs/dbraw/zinc/49/90/16/1290499016.db2.gz CEGIUXJFLSBAQC-MSOLQXFVSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184735614 1290508710 /nfs/dbraw/zinc/50/87/10/1290508710.db2.gz QAPOFUDIRPWLIG-AEFFLSMTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185167809 1290606717 /nfs/dbraw/zinc/60/67/17/1290606717.db2.gz FJGYSFXDTOEMTO-MSOLQXFVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185360965 1290651045 /nfs/dbraw/zinc/65/10/45/1290651045.db2.gz RHRNADYIPIROJC-MOPGFXCFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185381832 1290662141 /nfs/dbraw/zinc/66/21/41/1290662141.db2.gz SIIVUKMOSMZVKA-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185501871 1290693256 /nfs/dbraw/zinc/69/32/56/1290693256.db2.gz JISUQWFYPUNZOD-RBUKOAKNSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185546799 1290718724 /nfs/dbraw/zinc/71/87/24/1290718724.db2.gz DKFOXGXPSOHNSO-ZBFHGGJFSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001185546798 1290719020 /nfs/dbraw/zinc/71/90/20/1290719020.db2.gz DKFOXGXPSOHNSO-HOCLYGCPSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185740662 1290753638 /nfs/dbraw/zinc/75/36/38/1290753638.db2.gz CYXQAHWFTRRWLV-RDJZCZTQSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186356125 1290937728 /nfs/dbraw/zinc/93/77/28/1290937728.db2.gz SFAJBIRHACBAMC-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c1 ZINC001232966591 1312820695 /nfs/dbraw/zinc/82/06/95/1312820695.db2.gz SHDGNZQQBARUEJ-TZIWHRDSSA-N 2 0 349.482 2.554 20 30 EFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH+]CC)N2CCSC(C)(C)C2)C1 ZINC000126133341 1291001332 /nfs/dbraw/zinc/00/13/32/1291001332.db2.gz FJYMZMYEXVBDAJ-HNNXBMFYSA-N 2 0 326.554 2.511 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C12CCC2 ZINC001203233039 1291063914 /nfs/dbraw/zinc/06/39/14/1291063914.db2.gz ZHIZPRWGJKTWGV-RTBURBONSA-N 2 0 345.531 2.681 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736947 1312832013 /nfs/dbraw/zinc/83/20/13/1312832013.db2.gz WYQBIRDMLALTMH-QGZVFWFLSA-N 2 0 331.504 2.855 20 30 EFEDRP C=CCN1CCC([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009053 1291105405 /nfs/dbraw/zinc/10/54/05/1291105405.db2.gz GDBNDLRLKIWHFK-HZPDHXFCSA-N 2 0 337.508 2.918 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793557 1312843016 /nfs/dbraw/zinc/84/30/16/1312843016.db2.gz UMJJWFMMKYKFTL-INIZCTEOSA-N 2 0 341.927 2.737 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000249114946 1291308438 /nfs/dbraw/zinc/30/84/38/1291308438.db2.gz DLWKNWGDWDHRDG-HUUCEWRRSA-N 2 0 342.409 2.721 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114739078 1291635130 /nfs/dbraw/zinc/63/51/30/1291635130.db2.gz MIOHQVRFALVUEZ-PIIMJCKOSA-N 2 0 345.487 2.748 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550248 1291747590 /nfs/dbraw/zinc/74/75/90/1291747590.db2.gz PNWINBFRJZJWGK-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552664 1291752630 /nfs/dbraw/zinc/75/26/30/1291752630.db2.gz VRIZMGFOSPPTAR-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957556067 1291759114 /nfs/dbraw/zinc/75/91/14/1291759114.db2.gz XIHHEURFKOSYIA-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957556019 1291759242 /nfs/dbraw/zinc/75/92/42/1291759242.db2.gz SWOMZJRANICTQL-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957559350 1291765072 /nfs/dbraw/zinc/76/50/72/1291765072.db2.gz GKPOBWZJWSUWJW-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568097 1291780560 /nfs/dbraw/zinc/78/05/60/1291780560.db2.gz CSQXRIKVBWBJFO-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568858 1291781470 /nfs/dbraw/zinc/78/14/70/1291781470.db2.gz RQBJRETUMWHHEW-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000957578953 1291794120 /nfs/dbraw/zinc/79/41/20/1291794120.db2.gz CUHQBOCGAALOHD-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000957578952 1291794138 /nfs/dbraw/zinc/79/41/38/1291794138.db2.gz CUHQBOCGAALOHD-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957597778 1291842133 /nfs/dbraw/zinc/84/21/33/1291842133.db2.gz YDPLTCZYBWDXSF-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605900 1291860600 /nfs/dbraw/zinc/86/06/00/1291860600.db2.gz OUIYNEWIHDNARQ-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647434 1291959337 /nfs/dbraw/zinc/95/93/37/1291959337.db2.gz HZIXVLHHVLHXMS-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016642805 1312897516 /nfs/dbraw/zinc/89/75/16/1312897516.db2.gz JGCDZVZICHDQBW-MRXNPFEDSA-N 2 0 347.528 2.970 20 30 EFEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221457 1292049845 /nfs/dbraw/zinc/04/98/45/1292049845.db2.gz AQVVFKYFYUYZMT-RBUKOAKNSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473581 1312901012 /nfs/dbraw/zinc/90/10/12/1312901012.db2.gz MCVMYGRJZYIUMU-YSIASYRMSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475752 1312903579 /nfs/dbraw/zinc/90/35/79/1312903579.db2.gz ARHOODDAGLKMOS-ZWKOTPCHSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190443923 1292164140 /nfs/dbraw/zinc/16/41/40/1292164140.db2.gz LMCXDXRCWBWINZ-INIZCTEOSA-N 2 0 335.517 2.922 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016660822 1312910590 /nfs/dbraw/zinc/91/05/90/1312910590.db2.gz BZTWKVRMJMMANM-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016662537 1312911087 /nfs/dbraw/zinc/91/10/87/1312911087.db2.gz KMLYJELARBCSGC-MSOLQXFVSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663378 1312911575 /nfs/dbraw/zinc/91/15/75/1312911575.db2.gz QGCRKQKQIWVPOH-OALUTQOASA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663845 1312912248 /nfs/dbraw/zinc/91/22/48/1312912248.db2.gz UXJOHRKJVSZQMP-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203507579 1312942232 /nfs/dbraw/zinc/94/22/32/1312942232.db2.gz SXUMLPMDHGBMNM-ZWKOTPCHSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203537357 1312949568 /nfs/dbraw/zinc/94/95/68/1312949568.db2.gz COAPFWOACNHPCH-QZTJIDSGSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514425 1312950383 /nfs/dbraw/zinc/95/03/83/1312950383.db2.gz DXLUGSDWEBHMNT-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514426 1312950664 /nfs/dbraw/zinc/95/06/64/1312950664.db2.gz DXLUGSDWEBHMNT-SLFFLAALSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203557813 1312955703 /nfs/dbraw/zinc/95/57/03/1312955703.db2.gz PVTGGQYRGDMCNX-ROUUACIJSA-N 2 0 333.520 2.700 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001016747850 1312956487 /nfs/dbraw/zinc/95/64/87/1312956487.db2.gz FBKGLIQDNQXHMN-LJQANCHMSA-N 2 0 341.499 2.561 20 30 EFEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903900 1292924137 /nfs/dbraw/zinc/92/41/37/1292924137.db2.gz QQIVBPHFNYJCHK-XWSJACJDSA-N 2 0 331.504 2.691 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049525826 1312966976 /nfs/dbraw/zinc/96/69/76/1312966976.db2.gz RFXYAEWJIBWANI-QRVBRYPASA-N 2 0 331.504 2.645 20 30 EFEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203604379 1312968125 /nfs/dbraw/zinc/96/81/25/1312968125.db2.gz DAYJEEJHGLYLCO-MSOLQXFVSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614057 1312971322 /nfs/dbraw/zinc/97/13/22/1312971322.db2.gz HMAGVVWHJUHXCR-QZTJIDSGSA-N 2 0 345.531 2.846 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616291 1312971843 /nfs/dbraw/zinc/97/18/43/1312971843.db2.gz YANCSIOATATHNB-ZWKOTPCHSA-N 2 0 342.487 2.744 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788752 1312981288 /nfs/dbraw/zinc/98/12/88/1312981288.db2.gz CNFFQSXIDDINJW-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016793082 1312982943 /nfs/dbraw/zinc/98/29/43/1312982943.db2.gz FIHDKVHSAGWIBC-OKZBNKHCSA-N 2 0 333.520 2.654 20 30 EFEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000129784334 1293272420 /nfs/dbraw/zinc/27/24/20/1293272420.db2.gz QPXMHAMSXCXMNK-CHWSQXEVSA-N 2 0 349.548 2.731 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383302 1293283899 /nfs/dbraw/zinc/28/38/99/1293283899.db2.gz RTVMCWYUSIRQAB-PXNSSMCTSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546216 1312993668 /nfs/dbraw/zinc/99/36/68/1312993668.db2.gz PNNXJGZRKIYTNV-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275078 1293562563 /nfs/dbraw/zinc/56/25/63/1293562563.db2.gz NTIONNQZBGVSRP-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC/C=C/CCC)C2)CC1 ZINC001194246546 1293569350 /nfs/dbraw/zinc/56/93/50/1293569350.db2.gz OMBCGWZOEQYMTA-DUIUGDAFSA-N 2 0 345.531 2.611 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCC(C)(C)C)C2)CC1 ZINC001194246446 1293569863 /nfs/dbraw/zinc/56/98/63/1293569863.db2.gz LZTAXLVSXYIKCO-IBGZPJMESA-N 2 0 347.547 2.691 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246312 1293569912 /nfs/dbraw/zinc/56/99/12/1293569912.db2.gz KXCHEDVEECITPL-GOSISDBHSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203771806 1313011411 /nfs/dbraw/zinc/01/14/11/1313011411.db2.gz PAXZYIFJLTZBRO-RBUKOAKNSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783330 1313013641 /nfs/dbraw/zinc/01/36/41/1313013641.db2.gz ROQSBNMKAMNPTF-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860496 1313015089 /nfs/dbraw/zinc/01/50/89/1313015089.db2.gz IHTNZPIFLWQEST-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862017 1313015342 /nfs/dbraw/zinc/01/53/42/1313015342.db2.gz RQFNWKIYXGZAHC-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861008 1313015608 /nfs/dbraw/zinc/01/56/08/1313015608.db2.gz MJFPZOJOMWMCJN-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861010 1313015740 /nfs/dbraw/zinc/01/57/40/1313015740.db2.gz MJFPZOJOMWMCJN-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016878527 1313023818 /nfs/dbraw/zinc/02/38/18/1313023818.db2.gz VGJQJQNQAOKVBC-IBGZPJMESA-N 2 0 341.499 2.909 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825814 1313025913 /nfs/dbraw/zinc/02/59/13/1313025913.db2.gz VTIIEZZTEAQUTE-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001016931777 1313048435 /nfs/dbraw/zinc/04/84/35/1313048435.db2.gz WCLMVJDVZUHZRK-GOSISDBHSA-N 2 0 342.487 2.698 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196026117 1294110914 /nfs/dbraw/zinc/11/09/14/1294110914.db2.gz ZKTXPBOWCSXNRZ-IRXDYDNUSA-N 2 0 327.488 2.555 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001205758963 1294144721 /nfs/dbraw/zinc/14/47/21/1294144721.db2.gz GIJJDMGJDLEKON-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388148 1294220121 /nfs/dbraw/zinc/22/01/21/1294220121.db2.gz DSWSNFXGRQBYFF-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417368 1294241067 /nfs/dbraw/zinc/24/10/67/1294241067.db2.gz QJYYTKNRVQDLRR-UHFFFAOYSA-N 2 0 333.520 2.896 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016982346 1313070732 /nfs/dbraw/zinc/07/07/32/1313070732.db2.gz GTUNGJKQMZZKFN-LJQANCHMSA-N 2 0 341.499 2.909 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596456 1313066832 /nfs/dbraw/zinc/06/68/32/1313066832.db2.gz WQPWMZLPUKXPOZ-RBUKOAKNSA-N 2 0 338.455 2.979 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016981509 1313070365 /nfs/dbraw/zinc/07/03/65/1313070365.db2.gz CVAWNKSDRXMFQO-LJQANCHMSA-N 2 0 341.499 2.909 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016983478 1313071141 /nfs/dbraw/zinc/07/11/41/1313071141.db2.gz TZYOPHVPVHMRJY-HZPDHXFCSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016982909 1313071262 /nfs/dbraw/zinc/07/12/62/1313071262.db2.gz NHHSYPFHMFGOTJ-LJQANCHMSA-N 2 0 341.499 2.909 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016982816 1313071504 /nfs/dbraw/zinc/07/15/04/1313071504.db2.gz LZMKMRXVJJAJQM-LJQANCHMSA-N 2 0 341.499 2.909 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016983952 1313071875 /nfs/dbraw/zinc/07/18/75/1313071875.db2.gz WYSZYSMGLBZWEE-SFHVURJKSA-N 2 0 327.472 2.519 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000303775805 1294580291 /nfs/dbraw/zinc/58/02/91/1294580291.db2.gz HDOWHSPFYQFOPF-FUHWJXTLSA-N 2 0 332.492 2.543 20 30 EFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303778032 1294580345 /nfs/dbraw/zinc/58/03/45/1294580345.db2.gz JGUSPAWDTMRILP-YESZJQIVSA-N 2 0 326.529 2.605 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000303792762 1294583426 /nfs/dbraw/zinc/58/34/26/1294583426.db2.gz YRWVSEVDRFRWLI-KRWDZBQOSA-N 2 0 346.519 2.892 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2cc(OC)ccc2c1 ZINC000303791175 1294583481 /nfs/dbraw/zinc/58/34/81/1294583481.db2.gz XCMSGHHCQCJKCU-GOSISDBHSA-N 2 0 340.471 2.737 20 30 EFEDRP C[NH+]1CCC(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000303864706 1294591649 /nfs/dbraw/zinc/59/16/49/1294591649.db2.gz BBKMLGXYKVAIPR-UHFFFAOYSA-N 2 0 330.354 2.654 20 30 EFEDRP CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303888132 1294597957 /nfs/dbraw/zinc/59/79/57/1294597957.db2.gz OSENARFDJFXYIW-LJQANCHMSA-N 2 0 346.519 2.791 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000303884146 1294598180 /nfs/dbraw/zinc/59/81/80/1294598180.db2.gz MRAXINQRMCXDCQ-OAHLLOKOSA-N 2 0 343.302 2.925 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303883238 1294598453 /nfs/dbraw/zinc/59/84/53/1294598453.db2.gz IMARUHPCSZPSRP-OAHLLOKOSA-N 2 0 348.491 2.943 20 30 EFEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303897976 1294599054 /nfs/dbraw/zinc/59/90/54/1294599054.db2.gz QXQMJILHDDGUJY-QZTJIDSGSA-N 2 0 330.520 2.892 20 30 EFEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCCO2)cc1C#N ZINC001276443507 1313087584 /nfs/dbraw/zinc/08/75/84/1313087584.db2.gz KLGCHYHIBTWWOE-DLZDZTESSA-N 2 0 342.487 2.551 20 30 EFEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303898993 1294601392 /nfs/dbraw/zinc/60/13/92/1294601392.db2.gz VWEMUPHQXFBFFO-HKUYNNGSSA-N 2 0 328.504 2.598 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)cc1OC ZINC000303903554 1294601579 /nfs/dbraw/zinc/60/15/79/1294601579.db2.gz UNENSBKEPAXJMR-UHFFFAOYSA-N 2 0 348.491 2.943 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC)c1 ZINC000303974272 1294614300 /nfs/dbraw/zinc/61/43/00/1294614300.db2.gz HVURGKKXMCZNOG-AWEZNQCLSA-N 2 0 336.480 2.941 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615588 1313089649 /nfs/dbraw/zinc/08/96/49/1313089649.db2.gz LVBHONLXDKCDFK-QRVBRYPASA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615349 1313089876 /nfs/dbraw/zinc/08/98/76/1313089876.db2.gz JEFBECOAAQJPAU-OTWHNJEPSA-N 2 0 331.504 2.502 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H](C)CC(C)C)CC2)CC1 ZINC001203888503 1294781096 /nfs/dbraw/zinc/78/10/96/1294781096.db2.gz MUYBQJIACRWKKM-GOSISDBHSA-N 2 0 347.547 2.594 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345898 1313109841 /nfs/dbraw/zinc/10/98/41/1313109841.db2.gz NRXZZJPHKRLPEE-OALUTQOASA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345430 1313109902 /nfs/dbraw/zinc/10/99/02/1313109902.db2.gz IIVPOFBIDVWMPL-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC001234402488 1313120553 /nfs/dbraw/zinc/12/05/53/1313120553.db2.gz LPLTYPSPONTSQE-SJORKVTESA-N 2 0 332.492 2.896 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198616563 1295149649 /nfs/dbraw/zinc/14/96/49/1295149649.db2.gz IUBNJOARYQDPHH-ZWKOTPCHSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1OC ZINC001198759961 1295237100 /nfs/dbraw/zinc/23/71/00/1295237100.db2.gz NZPVRZQBPKXPAH-KRWDZBQOSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953587 1295353699 /nfs/dbraw/zinc/35/36/99/1295353699.db2.gz QWBIRONUHNESDF-GOSISDBHSA-N 2 0 347.503 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049664680 1313156378 /nfs/dbraw/zinc/15/63/78/1313156378.db2.gz RDYAHSGYHRFECJ-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP N#Cc1ccccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001204621621 1313174215 /nfs/dbraw/zinc/17/42/15/1313174215.db2.gz JQOQQLIENPVUOM-UHFFFAOYSA-N 2 0 332.451 2.526 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642117 1313176207 /nfs/dbraw/zinc/17/62/07/1313176207.db2.gz HFWIIYJYXLOVPR-ZWKOTPCHSA-N 2 0 341.515 2.945 20 30 EFEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)[NH+](C)C ZINC000104161091 1295731611 /nfs/dbraw/zinc/73/16/11/1295731611.db2.gz LTLZCNZFVQDFJW-INIZCTEOSA-N 2 0 336.480 2.797 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304740509 1295746744 /nfs/dbraw/zinc/74/67/44/1295746744.db2.gz BRAWGNRIACZOJK-FQEVSTJZSA-N 2 0 336.483 2.798 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304759361 1295750149 /nfs/dbraw/zinc/75/01/49/1295750149.db2.gz RAQPAYFKZXFPKV-SJLPKXTDSA-N 3 0 345.535 2.504 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000304756570 1295750641 /nfs/dbraw/zinc/75/06/41/1295750641.db2.gz NUVAGOWMGDQAAM-INIZCTEOSA-N 2 0 332.492 2.577 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000304759805 1295751008 /nfs/dbraw/zinc/75/10/08/1295751008.db2.gz ROULKVDIIRUDMI-OAHLLOKOSA-N 2 0 332.517 2.700 20 30 EFEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])NCC2CCC2)CCOCC1)c1ccccc1 ZINC000304759626 1295751356 /nfs/dbraw/zinc/75/13/56/1295751356.db2.gz RJFYBXGJJQVYMO-MRXNPFEDSA-N 2 0 344.503 2.591 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(Cl)c2)CC1 ZINC000304754094 1295751446 /nfs/dbraw/zinc/75/14/46/1295751446.db2.gz LOUYYHRHBCWTAK-MRXNPFEDSA-N 2 0 334.895 2.760 20 30 EFEDRP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)C12CCCCC2 ZINC000304805968 1295760211 /nfs/dbraw/zinc/76/02/11/1295760211.db2.gz RSTXQOBAWYGTNO-GVDBMIGSSA-N 2 0 336.524 2.503 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000305006318 1295835384 /nfs/dbraw/zinc/83/53/84/1295835384.db2.gz PLPVVPBDISXHAL-GOSISDBHSA-N 2 0 328.504 2.788 20 30 EFEDRP C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])N3CCCCCC3)c2)CCO1 ZINC000305095591 1295905206 /nfs/dbraw/zinc/90/52/06/1295905206.db2.gz ZSROQIZMXSWOFQ-QGZVFWFLSA-N 2 0 344.503 2.598 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CC3(C)CC[NH2+]CC3)CC2)C1 ZINC001204847726 1313202604 /nfs/dbraw/zinc/20/26/04/1313202604.db2.gz FOQXGMYWCNVPTK-UHFFFAOYSA-N 2 0 349.519 2.877 20 30 EFEDRP CCSCC[NH+]1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277912898 1313214649 /nfs/dbraw/zinc/21/46/49/1313214649.db2.gz BDPRLRDSCQGCEP-UHFFFAOYSA-N 2 0 346.544 2.938 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)C1 ZINC001205000890 1313219510 /nfs/dbraw/zinc/21/95/10/1313219510.db2.gz MKNIBPLAKLFVQN-HKUYNNGSSA-N 2 0 335.492 2.629 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718803 1313220393 /nfs/dbraw/zinc/22/03/93/1313220393.db2.gz NYMVRTYSELUEJB-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132386 1296235715 /nfs/dbraw/zinc/23/57/15/1296235715.db2.gz RIHBSYHIUCOLHT-JOCHJYFZSA-N 2 0 339.527 2.908 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205313939 1313268365 /nfs/dbraw/zinc/26/83/65/1313268365.db2.gz MKTQPIQIBGEIQO-HXUWFJFHSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001205334247 1313270998 /nfs/dbraw/zinc/27/09/98/1313270998.db2.gz IIWXACHTQXVOHB-NZSAHSFTSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049766761 1313276796 /nfs/dbraw/zinc/27/67/96/1313276796.db2.gz MXSGZQZNRLHZFS-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768219 1313278783 /nfs/dbraw/zinc/27/87/83/1313278783.db2.gz UVEHFJPSHGGSTM-QRVBRYPASA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205433060 1313287533 /nfs/dbraw/zinc/28/75/33/1313287533.db2.gz XJPJRQOUDDUMBA-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201261296 1296691278 /nfs/dbraw/zinc/69/12/78/1296691278.db2.gz PCCCKFKUQRFBHY-SFHVURJKSA-N 2 0 341.540 2.506 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205457776 1313292897 /nfs/dbraw/zinc/29/28/97/1313292897.db2.gz PKIDLZOVXXDFCY-QGZVFWFLSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461368 1313293426 /nfs/dbraw/zinc/29/34/26/1313293426.db2.gz HOBYDVLWCONKSK-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205460976 1313293600 /nfs/dbraw/zinc/29/36/00/1313293600.db2.gz BSPJFPDNWVGHFZ-IBGZPJMESA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462163 1313293650 /nfs/dbraw/zinc/29/36/50/1313293650.db2.gz UHMHKELHIKVYPH-QGZVFWFLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCCCCCCC[N@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235339810 1313295465 /nfs/dbraw/zinc/29/54/65/1313295465.db2.gz VTGUSSGMXHVRKW-RMJJICAUSA-N 2 0 334.504 2.844 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001235339009 1313295623 /nfs/dbraw/zinc/29/56/23/1313295623.db2.gz WKQYDMPBCRWYMT-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789039 1313302525 /nfs/dbraw/zinc/30/25/25/1313302525.db2.gz UYNDZQKGWYTGRZ-MOPGFXCFSA-N 2 0 327.472 2.613 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2cnccc2OC)CC1 ZINC001205516005 1313302912 /nfs/dbraw/zinc/30/29/12/1313302912.db2.gz JMFRKYSGIDTNDZ-MRXNPFEDSA-N 2 0 345.487 2.816 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518774 1313303912 /nfs/dbraw/zinc/30/39/12/1313303912.db2.gz KNYDOGSXJLCLTM-IRXDYDNUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518784 1313303960 /nfs/dbraw/zinc/30/39/60/1313303960.db2.gz KQLOIKQVDRHFRY-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110566607 1296816164 /nfs/dbraw/zinc/81/61/64/1296816164.db2.gz AFYFQIGDEOGGGM-KURKYZTESA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001205580393 1313317244 /nfs/dbraw/zinc/31/72/44/1313317244.db2.gz FFOQEWGUTVIAGJ-UHFFFAOYSA-N 2 0 344.503 2.702 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616284 1313323124 /nfs/dbraw/zinc/32/31/24/1313323124.db2.gz AFSJYIHTIIVLNG-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCCC ZINC001235473287 1313331899 /nfs/dbraw/zinc/33/18/99/1313331899.db2.gz UZKOZAGQTJHFKS-OALUTQOASA-N 2 0 333.520 2.587 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CCCCC#N)C[C@H]3CC2)cc1C#N ZINC001277948689 1313334962 /nfs/dbraw/zinc/33/49/62/1313334962.db2.gz MMGYKKKYSDOMGP-KDURUIRLSA-N 2 0 339.487 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001205768951 1313352499 /nfs/dbraw/zinc/35/24/99/1313352499.db2.gz VNMIGTVNOJEKCV-UHFFFAOYSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839184 1313368774 /nfs/dbraw/zinc/36/87/74/1313368774.db2.gz BVGCELJMDDDTHF-VQTJNVASSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206273894 1313429102 /nfs/dbraw/zinc/42/91/02/1313429102.db2.gz CQQYNDJFAVPWFG-IBGZPJMESA-N 2 0 339.499 2.603 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206282560 1313431334 /nfs/dbraw/zinc/43/13/34/1313431334.db2.gz VJCCYPBRQYGCCL-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCCCC[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236021004 1313431907 /nfs/dbraw/zinc/43/19/07/1313431907.db2.gz BHLSEZIHUGASLW-RMJJICAUSA-N 2 0 334.504 2.844 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439781 1298010687 /nfs/dbraw/zinc/01/06/87/1298010687.db2.gz VMOSRRQCIHGWDB-MJGOQNOKSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909796 1313470600 /nfs/dbraw/zinc/47/06/00/1313470600.db2.gz CMENJUHCNJJKRN-OALUTQOASA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909798 1313470626 /nfs/dbraw/zinc/47/06/26/1313470626.db2.gz CMENJUHCNJJKRN-RBUKOAKNSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188630 1298273413 /nfs/dbraw/zinc/27/34/13/1298273413.db2.gz VVZRZVCWLZZMND-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197346 1298295710 /nfs/dbraw/zinc/29/57/10/1298295710.db2.gz NOZRLQINPJLQEW-RBUKOAKNSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230161 1298373502 /nfs/dbraw/zinc/37/35/02/1298373502.db2.gz KPDZTPLTQAFKIB-OALUTQOASA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234795 1298383369 /nfs/dbraw/zinc/38/33/69/1298383369.db2.gz XOYUEUVMZXMZNG-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001206753988 1313502389 /nfs/dbraw/zinc/50/23/89/1313502389.db2.gz CKHKPEYHMGZKIJ-UHFFFAOYSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243939 1298405218 /nfs/dbraw/zinc/40/52/18/1298405218.db2.gz AKQOBIRJAKMZDT-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243931 1298405823 /nfs/dbraw/zinc/40/58/23/1298405823.db2.gz AKQOBIRJAKMZDT-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268837 1298457911 /nfs/dbraw/zinc/45/79/11/1298457911.db2.gz GHKVMSGFRZIBAT-IAGOWNOFSA-N 2 0 342.487 2.508 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268849 1298458113 /nfs/dbraw/zinc/45/81/13/1298458113.db2.gz GHKVMSGFRZIBAT-SJORKVTESA-N 2 0 342.487 2.508 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869161 1313530376 /nfs/dbraw/zinc/53/03/76/1313530376.db2.gz VQIDYKLAGZKIRO-LJQANCHMSA-N 2 0 329.488 2.694 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373572 1298639266 /nfs/dbraw/zinc/63/92/66/1298639266.db2.gz HUNCPHFNVIXDEF-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871646 1313531880 /nfs/dbraw/zinc/53/18/80/1313531880.db2.gz UGEXFWUTFSASOJ-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961401303 1298692748 /nfs/dbraw/zinc/69/27/48/1298692748.db2.gz DGNCXROFHYYTBI-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410066 1298704992 /nfs/dbraw/zinc/70/49/92/1298704992.db2.gz FDFKALPDNAFSLR-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961424608 1298732084 /nfs/dbraw/zinc/73/20/84/1298732084.db2.gz VGTIWQNCQWGKBM-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431072 1298735587 /nfs/dbraw/zinc/73/55/87/1298735587.db2.gz IBTZUJFMWOIBFF-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431068 1298736845 /nfs/dbraw/zinc/73/68/45/1298736845.db2.gz IBTZUJFMWOIBFF-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCN(CC[NH+]1CCC(CC2CC[NH2+]CC2)CC1)C(=O)OCC ZINC001236948401 1313559455 /nfs/dbraw/zinc/55/94/55/1313559455.db2.gz PUQHJVGOPUSPCA-UHFFFAOYSA-N 2 0 337.508 2.733 20 30 EFEDRP Cn1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1C#N ZINC001207109837 1313614720 /nfs/dbraw/zinc/61/47/20/1313614720.db2.gz WDXOJVPYAYFDMI-UHFFFAOYSA-N 2 0 334.467 2.995 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC000962275611 1299540369 /nfs/dbraw/zinc/54/03/69/1299540369.db2.gz VYIKNFDFNDTABL-HCXYKTFWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCN(CC[N@@H+](C)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001207206204 1313636914 /nfs/dbraw/zinc/63/69/14/1313636914.db2.gz RQMLXZRJBTXIKM-UHFFFAOYSA-N 2 0 325.497 2.683 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC3(C[NH2+]C3)[C@@H](C(=O)OCC)C2)CC1 ZINC001237413221 1313641017 /nfs/dbraw/zinc/64/10/17/1313641017.db2.gz VSDRLJUUHFGWHS-QZTJIDSGSA-N 2 0 332.488 2.764 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]2CC ZINC001207279766 1313650847 /nfs/dbraw/zinc/65/08/47/1313650847.db2.gz JMSWHDTVDYQAEN-XLIONFOSSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660998 1300008093 /nfs/dbraw/zinc/00/80/93/1300008093.db2.gz LAGFDUQHUKJKKQ-MANSERQUSA-N 2 0 333.520 2.937 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398675 1313675037 /nfs/dbraw/zinc/67/50/37/1313675037.db2.gz HUABMWVUELXKHH-UHFFFAOYSA-N 2 0 343.471 2.752 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114501385 1300327994 /nfs/dbraw/zinc/32/79/94/1300327994.db2.gz APZUXIGWSWSYKP-PIIMJCKOSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001207479359 1313696196 /nfs/dbraw/zinc/69/61/96/1313696196.db2.gz UEJVQGNJSGFTMS-UHFFFAOYSA-N 2 0 343.515 2.529 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCC=C ZINC001110678553 1300456542 /nfs/dbraw/zinc/45/65/42/1300456542.db2.gz AJHDIAINGWUUAX-ZRNYENFQSA-N 2 0 343.515 2.552 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482534 1313697600 /nfs/dbraw/zinc/69/76/00/1313697600.db2.gz NCSNIOUULBATJY-VQTJNVASSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482532 1313697823 /nfs/dbraw/zinc/69/78/23/1313697823.db2.gz NCSNIOUULBATJY-PMACEKPBSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328044 1300612238 /nfs/dbraw/zinc/61/22/38/1300612238.db2.gz KZLDCJUZMBKDAU-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329495 1300615892 /nfs/dbraw/zinc/61/58/92/1300615892.db2.gz ZMUARLDFDQSAOS-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133120 1313703551 /nfs/dbraw/zinc/70/35/51/1313703551.db2.gz SCAWFRCZYSRMAR-KDURUIRLSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358272 1300681388 /nfs/dbraw/zinc/68/13/88/1300681388.db2.gz QCBHWUQWEMQUOM-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383998 1300740261 /nfs/dbraw/zinc/74/02/61/1300740261.db2.gz PUNBBDGINUEKMZ-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383996 1300740636 /nfs/dbraw/zinc/74/06/36/1300740636.db2.gz PUNBBDGINUEKMZ-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383999 1300741555 /nfs/dbraw/zinc/74/15/55/1300741555.db2.gz PUNBBDGINUEKMZ-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417611 1300811043 /nfs/dbraw/zinc/81/10/43/1300811043.db2.gz ORONCXKXYMVXPL-SJORKVTESA-N 2 0 339.911 2.538 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429140 1300835225 /nfs/dbraw/zinc/83/52/25/1300835225.db2.gz OOINNFYIRYFHQA-VQTJNVASSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176919 1313728266 /nfs/dbraw/zinc/72/82/66/1313728266.db2.gz SMUGCUGJXSVPIH-ZSYWTGECSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000963599458 1301108892 /nfs/dbraw/zinc/10/88/92/1301108892.db2.gz UXPNSUZYDHJPAG-UHFFFAOYSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000963624497 1301136243 /nfs/dbraw/zinc/13/62/43/1301136243.db2.gz QDSWENGLGVESSH-UHFFFAOYSA-N 2 0 339.911 2.727 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000963786880 1301314478 /nfs/dbraw/zinc/31/44/78/1301314478.db2.gz BQXOVPSTVTZFEH-UHFFFAOYSA-N 2 0 341.927 2.973 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000963902264 1301452776 /nfs/dbraw/zinc/45/27/76/1301452776.db2.gz IZAJAQJHIFDLQJ-UHFFFAOYSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000963908443 1301459268 /nfs/dbraw/zinc/45/92/68/1301459268.db2.gz KMMORSFECMCHKT-UHFFFAOYSA-N 2 0 333.501 2.626 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001202502229 1301643813 /nfs/dbraw/zinc/64/38/13/1301643813.db2.gz BMJVJHSZXPKCGN-LJQANCHMSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988124 1313818296 /nfs/dbraw/zinc/81/82/96/1313818296.db2.gz FPWLSKSRUYQFAC-RVKKMQEKSA-N 2 0 326.444 2.739 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097074712 1313835675 /nfs/dbraw/zinc/83/56/75/1313835675.db2.gz KYFAKFFELRGGRI-KURKYZTESA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079453 1313841270 /nfs/dbraw/zinc/84/12/70/1313841270.db2.gz KCKQEGVXIWTYFQ-AFYVEPGGSA-N 2 0 345.531 2.939 20 30 EFEDRP CCCCCCCCCCS(=O)(=O)NCCC[N@H+](C)CCC[NH3+] ZINC001238615113 1313846098 /nfs/dbraw/zinc/84/60/98/1313846098.db2.gz QLNACOYJMFUVJE-UHFFFAOYSA-N 2 0 349.585 2.717 20 30 EFEDRP C=CCOCc1ncn2c1C[N@H+](CC1(C)CC[NH+](C)CC1)CCC2 ZINC001208106301 1313848422 /nfs/dbraw/zinc/84/84/22/1313848422.db2.gz BXEMBVFZBLVCEA-UHFFFAOYSA-N 2 0 332.492 2.523 20 30 EFEDRP CCc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1C#N ZINC001238778956 1313867880 /nfs/dbraw/zinc/86/78/80/1313867880.db2.gz RFPFNLMNTFXWIT-UHFFFAOYSA-N 2 0 330.520 2.826 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619180 1303038870 /nfs/dbraw/zinc/03/88/70/1303038870.db2.gz ROGLVACONZHMRH-YRXWBPOGSA-N 2 0 347.547 2.900 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114618783 1303047842 /nfs/dbraw/zinc/04/78/42/1303047842.db2.gz KYTFOMLNSYZAFR-NMLBUPMWSA-N 2 0 347.547 2.878 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000965424076 1303179937 /nfs/dbraw/zinc/17/99/37/1303179937.db2.gz GTKSSEOBBIESEE-INFDXNDLSA-N 2 0 331.504 2.596 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000965438390 1303184813 /nfs/dbraw/zinc/18/48/13/1303184813.db2.gz DTKQTYZMVUHXPA-UHFFFAOYSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334076 1313902139 /nfs/dbraw/zinc/90/21/39/1313902139.db2.gz FCTKKRYQHLLCLY-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000965813430 1303324314 /nfs/dbraw/zinc/32/43/14/1303324314.db2.gz FOPXTBTZVOXVJP-QAELIBMJSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001037849173 1303616612 /nfs/dbraw/zinc/61/66/12/1303616612.db2.gz KFMYKTFQEFJEMT-GOEBONIOSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001037868847 1303890326 /nfs/dbraw/zinc/89/03/26/1303890326.db2.gz OSMGGGUNCLCZEL-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563871 1313962329 /nfs/dbraw/zinc/96/23/29/1313962329.db2.gz GKTFOKNNFJWGDI-NVXWUHKLSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596636 1313971791 /nfs/dbraw/zinc/97/17/91/1313971791.db2.gz WEOOKSNPCDJKLU-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208606036 1313976540 /nfs/dbraw/zinc/97/65/40/1313976540.db2.gz ZMQZGKLXEMCBKQ-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208604583 1313975419 /nfs/dbraw/zinc/97/54/19/1313975419.db2.gz QVYLYEJUQAWPHH-SFHVURJKSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967093067 1304657711 /nfs/dbraw/zinc/65/77/11/1304657711.db2.gz YGZOEAXSNJGKAF-KDOFPFPSSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1CC ZINC001037923967 1304763967 /nfs/dbraw/zinc/76/39/67/1304763967.db2.gz HFRUSSHVBNEUHK-ICSRJNTNSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208760164 1314010353 /nfs/dbraw/zinc/01/03/53/1314010353.db2.gz XJZYUVKJOBGZNC-INIZCTEOSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403702 1304951648 /nfs/dbraw/zinc/95/16/48/1304951648.db2.gz ZIABOZBLBFMEAL-AEFFLSMTSA-N 2 0 344.503 2.555 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403705 1304952001 /nfs/dbraw/zinc/95/20/01/1304952001.db2.gz ZIABOZBLBFMEAL-WMZOPIPTSA-N 2 0 344.503 2.555 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001037946912 1305149689 /nfs/dbraw/zinc/14/96/89/1305149689.db2.gz JPVMPEYJWZIDIR-UYAOXDASSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1CC ZINC001037983140 1305589153 /nfs/dbraw/zinc/58/91/53/1305589153.db2.gz MBPWSKFMVQINHK-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cc1C#N ZINC001276607976 1314070084 /nfs/dbraw/zinc/07/00/84/1314070084.db2.gz IOKQKAQEMOQOKZ-HDICACEKSA-N 2 0 326.488 2.983 20 30 EFEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1CC ZINC001037991892 1305673180 /nfs/dbraw/zinc/67/31/80/1305673180.db2.gz RAKYXDOBHNDUFU-WMZOPIPTSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870964429 1305715034 /nfs/dbraw/zinc/71/50/34/1305715034.db2.gz CYNACPVXXGTTQA-UHFFFAOYSA-N 2 0 329.488 2.523 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021074 1314567734 /nfs/dbraw/zinc/56/77/34/1314567734.db2.gz LDGHFJAOBYIXEJ-IPMKNSEASA-N 2 0 328.541 2.910 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001245991205 1314560759 /nfs/dbraw/zinc/56/07/59/1314560759.db2.gz UCUZFLMGZHHDMR-RBUKOAKNSA-N 2 0 328.541 2.972 20 30 EFEDRP C=CCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001209200923 1314114155 /nfs/dbraw/zinc/11/41/55/1314114155.db2.gz QIPKGUGLNSJETR-AABGKKOBSA-N 2 0 343.519 2.809 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419530 1306290211 /nfs/dbraw/zinc/29/02/11/1306290211.db2.gz USGQTWFCRBUGML-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209277738 1314129858 /nfs/dbraw/zinc/12/98/58/1314129858.db2.gz KKXXFKRKRKKEHP-NVXWUHKLSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525364 1306431495 /nfs/dbraw/zinc/43/14/95/1306431495.db2.gz QGCKNFMVBGVJTQ-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690711 1306571056 /nfs/dbraw/zinc/57/10/56/1306571056.db2.gz ARVXCNHMFCRRMU-FUHWJXTLSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690895 1306571435 /nfs/dbraw/zinc/57/14/35/1306571435.db2.gz BKGDHHLZWVREMA-NVXWUHKLSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001044655641 1306695210 /nfs/dbraw/zinc/69/52/10/1306695210.db2.gz CINCUDBZQITNKG-ZFWWWQNUSA-N 2 0 346.862 2.978 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968887534 1306760671 /nfs/dbraw/zinc/76/06/71/1306760671.db2.gz HFRPOQLPCUKHOY-IRXDYDNUSA-N 2 0 330.476 2.697 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001209351708 1314145613 /nfs/dbraw/zinc/14/56/13/1314145613.db2.gz VDQFUGGJEHAFOS-LZLYRXPVSA-N 2 0 332.492 2.771 20 30 EFEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888743 1306764110 /nfs/dbraw/zinc/76/41/10/1306764110.db2.gz ZACCGSLFZFAIBH-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914237 1306788109 /nfs/dbraw/zinc/78/81/09/1306788109.db2.gz PWQBAUAVRKDHPA-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044773432 1306791928 /nfs/dbraw/zinc/79/19/28/1306791928.db2.gz AKWGYNKURGTTAT-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936757 1306816215 /nfs/dbraw/zinc/81/62/15/1306816215.db2.gz PNFXLWFEEFXSCO-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969059387 1306933441 /nfs/dbraw/zinc/93/34/41/1306933441.db2.gz LQOWQXMCEXHXAR-OALUTQOASA-N 2 0 333.520 2.633 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209449788 1314164884 /nfs/dbraw/zinc/16/48/84/1314164884.db2.gz LFFYBOSGQOJHOJ-HXUWFJFHSA-N 2 0 333.520 2.896 20 30 EFEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441988 1307341480 /nfs/dbraw/zinc/34/14/80/1307341480.db2.gz OUPZKOFDNTYYAL-SFHVURJKSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001045475873 1307365257 /nfs/dbraw/zinc/36/52/57/1307365257.db2.gz VAXYAZOQYYWUMP-ZWKOTPCHSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343796 1307380227 /nfs/dbraw/zinc/38/02/27/1307380227.db2.gz OHNOQRCZGPCWPB-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498188 1307471773 /nfs/dbraw/zinc/47/17/73/1307471773.db2.gz ISUVXRXRKJFELU-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498191 1307471929 /nfs/dbraw/zinc/47/19/29/1307471929.db2.gz ISUVXRXRKJFELU-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454123 1314196914 /nfs/dbraw/zinc/19/69/14/1314196914.db2.gz MHEGTPVDQGDVMB-MANSERQUSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209640409 1314205922 /nfs/dbraw/zinc/20/59/22/1314205922.db2.gz BXXFSUACQFIEPF-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278201 1307956152 /nfs/dbraw/zinc/95/61/52/1307956152.db2.gz VZSHXZFSZAVFCT-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943065 1307956765 /nfs/dbraw/zinc/95/67/65/1307956765.db2.gz FVNCWNCWQVERRN-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045948726 1307974300 /nfs/dbraw/zinc/97/43/00/1307974300.db2.gz QLVVLBXJQYSASA-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045965355 1308017785 /nfs/dbraw/zinc/01/77/85/1308017785.db2.gz GMAGPLFNLZCSDJ-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045965356 1308018201 /nfs/dbraw/zinc/01/82/01/1308018201.db2.gz GMAGPLFNLZCSDJ-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP N#Cc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)ccc1N1CC[NH2+]CC1 ZINC001242692949 1314226211 /nfs/dbraw/zinc/22/62/11/1314226211.db2.gz GQFUZDWVCFTAGW-HXUWFJFHSA-N 2 0 336.483 3.000 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045985348 1308084056 /nfs/dbraw/zinc/08/40/56/1308084056.db2.gz RYPMXCZTSWBDMV-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510440 1308125416 /nfs/dbraw/zinc/12/54/16/1308125416.db2.gz PXKAXBZRFSVHQQ-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(Cl)CN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008878985 1308309876 /nfs/dbraw/zinc/30/98/76/1308309876.db2.gz BFKLWZIQYNESDY-QGZVFWFLSA-N 2 0 335.879 2.695 20 30 EFEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319397 1308536422 /nfs/dbraw/zinc/53/64/22/1308536422.db2.gz RHCDLIBAPLGFFI-YLJYHZDGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319394 1308536771 /nfs/dbraw/zinc/53/67/71/1308536771.db2.gz RHCDLIBAPLGFFI-FXAWDEMLSA-N 2 0 333.520 2.798 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1C#N ZINC001413200120 1308626489 /nfs/dbraw/zinc/62/64/89/1308626489.db2.gz CHTWEJXPJVJWMK-KRWDZBQOSA-N 2 0 332.467 2.545 20 30 EFEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046617989 1308936839 /nfs/dbraw/zinc/93/68/39/1308936839.db2.gz BFHICWONEIPXFB-FQEVSTJZSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198756 1314294599 /nfs/dbraw/zinc/29/45/99/1314294599.db2.gz RKFWDCPVMLUWQZ-JKSUJKDBSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760879 1309288569 /nfs/dbraw/zinc/28/85/69/1309288569.db2.gz NXVXYZSQWIOUHW-HXUWFJFHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853239 1309526552 /nfs/dbraw/zinc/52/65/52/1309526552.db2.gz UPTQTGVHPOGKAJ-HXUWFJFHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864114 1309558792 /nfs/dbraw/zinc/55/87/92/1309558792.db2.gz ONTNIXGKKWJRCI-LJQANCHMSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001046946111 1309736403 /nfs/dbraw/zinc/73/64/03/1309736403.db2.gz SJXMXEYACUNNJB-CVEARBPZSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001046977833 1309826338 /nfs/dbraw/zinc/82/63/38/1309826338.db2.gz MRVFJKGZQQLLIK-HOTGVXAUSA-N 2 0 343.462 2.509 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001046995348 1309881619 /nfs/dbraw/zinc/88/16/19/1309881619.db2.gz OQWJOUBXGWZTSK-HOTGVXAUSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CCc1cccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001276685345 1314342787 /nfs/dbraw/zinc/34/27/87/1314342787.db2.gz ZAPIZFJCEQEQNN-UHFFFAOYSA-N 2 0 343.515 2.580 20 30 EFEDRP N#Cc1cc(-c2cccc(OCC[NH3+])c2)ccc1OC1CC[NH2+]CC1 ZINC001244326227 1314371519 /nfs/dbraw/zinc/37/15/19/1314371519.db2.gz YIWOWBNZYJAUJZ-UHFFFAOYSA-N 2 0 337.423 2.694 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225410 1310351738 /nfs/dbraw/zinc/35/17/38/1310351738.db2.gz DIQLOBUXPQPSFV-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240495 1310389105 /nfs/dbraw/zinc/38/91/05/1310389105.db2.gz DOVUAVIVBROJQO-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047244677 1310401891 /nfs/dbraw/zinc/40/18/91/1310401891.db2.gz UMTJUFJXUHGOHS-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047245255 1310403001 /nfs/dbraw/zinc/40/30/01/1310403001.db2.gz YBOAUTAZHWVZBU-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047246984 1310407841 /nfs/dbraw/zinc/40/78/41/1310407841.db2.gz DDYNNVXYCBYICE-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047246985 1310408521 /nfs/dbraw/zinc/40/85/21/1310408521.db2.gz DDYNNVXYCBYICE-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257020 1310431893 /nfs/dbraw/zinc/43/18/93/1310431893.db2.gz OLXSOUWOQMJTMN-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001047264885 1310456799 /nfs/dbraw/zinc/45/67/99/1310456799.db2.gz BGEUAFREZCBYOP-FQEVSTJZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265384 1310457882 /nfs/dbraw/zinc/45/78/82/1310457882.db2.gz ZBQLHHSEOZOAIR-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266215 1310460492 /nfs/dbraw/zinc/46/04/92/1310460492.db2.gz TUCWCMIHYDVHSR-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221671548 1311010167 /nfs/dbraw/zinc/01/01/67/1311010167.db2.gz BIHPYDIIEKUIBG-SZVBFZGTSA-N 2 0 338.455 2.835 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001221761892 1311027314 /nfs/dbraw/zinc/02/73/14/1311027314.db2.gz HHXXXRMRKDRWRZ-GUDVDZBRSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221814853 1311036864 /nfs/dbraw/zinc/03/68/64/1311036864.db2.gz GMISJHMRCWONSB-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001221871091 1311046120 /nfs/dbraw/zinc/04/61/20/1311046120.db2.gz WWTXNGDXZRTCMS-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221942521 1311057964 /nfs/dbraw/zinc/05/79/64/1311057964.db2.gz OHENQPURVFOBHY-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950288 1311058899 /nfs/dbraw/zinc/05/88/99/1311058899.db2.gz ZZTIHSKMVKJLNK-QZTJIDSGSA-N 2 0 333.520 2.585 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027032 1311070100 /nfs/dbraw/zinc/07/01/00/1311070100.db2.gz ITDCSSKKXKYXKI-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046525 1311073529 /nfs/dbraw/zinc/07/35/29/1311073529.db2.gz JAKGSDQCARVJPC-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001222042741 1311073631 /nfs/dbraw/zinc/07/36/31/1311073631.db2.gz IVIBBXGSTDATEU-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222076685 1311080039 /nfs/dbraw/zinc/08/00/39/1311080039.db2.gz MXHCOBQPIBTCBX-INIZCTEOSA-N 2 0 327.900 2.586 20 30 EFEDRP C=CCN(CC[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1)C(=O)OCC ZINC001222160598 1311093198 /nfs/dbraw/zinc/09/31/98/1311093198.db2.gz GPJGVZITLCKUGB-IBGZPJMESA-N 2 0 337.508 2.877 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001099491140 1311097990 /nfs/dbraw/zinc/09/79/90/1311097990.db2.gz YTSVOENSMPSAOP-RDGPPVDQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548204 1311101716 /nfs/dbraw/zinc/10/17/16/1311101716.db2.gz RLSCFPOKXMKQQN-YRPNKDGESA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707733 1311175738 /nfs/dbraw/zinc/17/57/38/1311175738.db2.gz JMTZGNWHOOIAHM-WTGUMLROSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223192794 1311228432 /nfs/dbraw/zinc/22/84/32/1311228432.db2.gz JNENQKANQDVEEU-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313610 1311232395 /nfs/dbraw/zinc/23/23/95/1311232395.db2.gz GFSAQVKFVTZQLG-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402358 1311238551 /nfs/dbraw/zinc/23/85/51/1311238551.db2.gz FGXOZBOICHZYIR-ZVDOUQERSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001223329577 1311245055 /nfs/dbraw/zinc/24/50/55/1311245055.db2.gz MEVZAPLCLAKMEO-AABGKKOBSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001101552422 1311249101 /nfs/dbraw/zinc/24/91/01/1311249101.db2.gz DYRGNIAQFLWUDQ-LJQANCHMSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001101589319 1311251807 /nfs/dbraw/zinc/25/18/07/1311251807.db2.gz HQDYCWUMENBALH-MJGOQNOKSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387637 1311253748 /nfs/dbraw/zinc/25/37/48/1311253748.db2.gz KHHWMWHORWUOOI-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCCC[NH+]1CCC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001276887767 1311255518 /nfs/dbraw/zinc/25/55/18/1311255518.db2.gz NNEJUPUYWHZGLQ-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102112897 1311283801 /nfs/dbraw/zinc/28/38/01/1311283801.db2.gz LNYVDBLBFUTMRB-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001223693829 1311293107 /nfs/dbraw/zinc/29/31/07/1311293107.db2.gz HNXAIKLDMYPCIY-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426657 1311358028 /nfs/dbraw/zinc/35/80/28/1311358028.db2.gz HLDNYKLQOHBZLZ-DJIMGWMZSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001224232766 1311363930 /nfs/dbraw/zinc/36/39/30/1311363930.db2.gz FYRIYOCMJCXAFE-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC001224248000 1311366065 /nfs/dbraw/zinc/36/60/65/1311366065.db2.gz DYNGQGMZTUXZOY-SFHVURJKSA-N 2 0 344.503 2.548 20 30 EFEDRP CCCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546934 1311405587 /nfs/dbraw/zinc/40/55/87/1311405587.db2.gz SVSJNUXVAGRIJP-PKOBYXMFSA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224560763 1311407484 /nfs/dbraw/zinc/40/74/84/1311407484.db2.gz WXVCOXOKCBYEHE-IBGZPJMESA-N 2 0 339.499 2.603 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224569861 1311408568 /nfs/dbraw/zinc/40/85/68/1311408568.db2.gz QKZMYWWVDMTLRF-KRWDZBQOSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224796259 1311435974 /nfs/dbraw/zinc/43/59/74/1311435974.db2.gz OSEDKSMEUAAJIH-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143070 1311481695 /nfs/dbraw/zinc/48/16/95/1311481695.db2.gz SPDCLYAUAXQWNL-OAQYLSRUSA-N 2 0 343.515 2.868 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001225174141 1311486565 /nfs/dbraw/zinc/48/65/65/1311486565.db2.gz HOZFTUMSZCBWCZ-MRXNPFEDSA-N 2 0 344.503 2.944 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434303 1311514008 /nfs/dbraw/zinc/51/40/08/1311514008.db2.gz LSSUHQHZSMTZBH-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1cc(C2C[NH2+]C2)cc(N(c2ccccc2N)C2CC[NH2+]CC2)c1 ZINC001159900553 1311605150 /nfs/dbraw/zinc/60/51/50/1311605150.db2.gz FKYLPDZKFPVXKY-UHFFFAOYSA-N 2 0 347.466 2.717 20 30 EFEDRP N#Cc1cc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159981636 1311622687 /nfs/dbraw/zinc/62/26/87/1311622687.db2.gz MCRGBVBOBDEDLE-SFHVURJKSA-N 2 0 347.466 2.916 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001226267266 1311639435 /nfs/dbraw/zinc/63/94/35/1311639435.db2.gz DXMRNZFONNBTNW-MISYRCLQSA-N 2 0 345.531 2.681 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119993 1311647704 /nfs/dbraw/zinc/64/77/04/1311647704.db2.gz JDJUAJGJFDKACQ-IBGZPJMESA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131469 1311650723 /nfs/dbraw/zinc/65/07/23/1311650723.db2.gz MZQNWQTVGNLFCY-MOPGFXCFSA-N 2 0 331.504 2.575 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293050 1311682188 /nfs/dbraw/zinc/68/21/88/1311682188.db2.gz SJFVWBVWXIBBQT-UHFFFAOYSA-N 2 0 345.512 2.585 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360407 1311697041 /nfs/dbraw/zinc/69/70/41/1311697041.db2.gz QMIKORVAWTUDMW-VQIMIIECSA-N 2 0 333.520 2.820 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360855 1311697353 /nfs/dbraw/zinc/69/73/53/1311697353.db2.gz XMIFGZNNGPSEQJ-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492661 1311721925 /nfs/dbraw/zinc/72/19/25/1311721925.db2.gz XYYGEKMQNAFLGU-UHFFFAOYSA-N 2 0 331.504 2.577 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593403 1311743218 /nfs/dbraw/zinc/74/32/18/1311743218.db2.gz RIZKHMSLZMFQFF-UHFFFAOYSA-N 2 0 331.504 2.719 20 30 EFEDRP C[C@H](CS)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227165232 1311770500 /nfs/dbraw/zinc/77/05/00/1311770500.db2.gz QEDQLHKJQGNZQI-CQSZACIVSA-N 3 0 339.549 2.569 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787436 1311781344 /nfs/dbraw/zinc/78/13/44/1311781344.db2.gz NUUJUAMCRGDYMD-FQEVSTJZSA-N 2 0 345.531 2.965 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902481607 1311781492 /nfs/dbraw/zinc/78/14/92/1311781492.db2.gz FNOGGAAAANSDDK-HXUWFJFHSA-N 2 0 326.488 2.644 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001227275322 1311787126 /nfs/dbraw/zinc/78/71/26/1311787126.db2.gz CFJLZAXWUPLHNU-RCCFBDPRSA-N 2 0 333.520 2.987 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792681 1311856387 /nfs/dbraw/zinc/85/63/87/1311856387.db2.gz RKUDZXGVZNYYIH-MSOLQXFVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161391237 1311876781 /nfs/dbraw/zinc/87/67/81/1311876781.db2.gz PFMIWVNCQQNVGJ-IBGZPJMESA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048537451 1311876985 /nfs/dbraw/zinc/87/69/85/1311876985.db2.gz BJVOIFOKUCTUNX-KNJMJIDISA-N 2 0 345.531 2.939 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444236 1311891029 /nfs/dbraw/zinc/89/10/29/1311891029.db2.gz AEVGPEODKPMRMC-MOPGFXCFSA-N 2 0 331.504 2.718 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444254 1311891088 /nfs/dbraw/zinc/89/10/88/1311891088.db2.gz AODRMYNOSGPCSO-RBUKOAKNSA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556440 1311900520 /nfs/dbraw/zinc/90/05/20/1311900520.db2.gz GZUVTUMKHVPWKM-VBUUOAMHSA-N 2 0 345.487 2.890 20 30 EFEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001048558024 1311903263 /nfs/dbraw/zinc/90/32/63/1311903263.db2.gz WCPOIGKVPUTIPO-AKHDSKFASA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228169499 1311910226 /nfs/dbraw/zinc/91/02/26/1311910226.db2.gz XLKINJCVLNMQOY-OAHLLOKOSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228265568 1311921944 /nfs/dbraw/zinc/92/19/44/1311921944.db2.gz CIUIXGWNRYZMNC-OAHLLOKOSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621966 1311933708 /nfs/dbraw/zinc/93/37/08/1311933708.db2.gz HJVUOUZTNXZBMP-UHFFFAOYSA-N 2 0 333.520 2.821 20 30 EFEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001048584256 1311934266 /nfs/dbraw/zinc/93/42/66/1311934266.db2.gz XORPLAOEYOZTHF-YRPNKDGESA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001048589968 1311941055 /nfs/dbraw/zinc/94/10/55/1311941055.db2.gz FIHLFNSBAMPJHV-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161679293 1311948922 /nfs/dbraw/zinc/94/89/22/1311948922.db2.gz YAJYHCSHCXUTKR-FQEVSTJZSA-N 2 0 345.531 2.803 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698714 1311953549 /nfs/dbraw/zinc/95/35/49/1311953549.db2.gz AQRCPJPWXGKLJC-MJGOQNOKSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716309 1311958763 /nfs/dbraw/zinc/95/87/63/1311958763.db2.gz MAERQTMGXRTUGX-KRWDZBQOSA-N 2 0 331.504 2.575 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723482 1311959727 /nfs/dbraw/zinc/95/97/27/1311959727.db2.gz QJLFZUWCMVZGKF-UHFFFAOYSA-N 2 0 342.487 2.866 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001228640082 1311973913 /nfs/dbraw/zinc/97/39/13/1311973913.db2.gz PDRXIRRZUXBYNS-WOJBJXKFSA-N 2 0 343.515 2.754 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924964 1312004705 /nfs/dbraw/zinc/00/47/05/1312004705.db2.gz RGLWUXLDEVHJQO-HDICACEKSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924965 1312004858 /nfs/dbraw/zinc/00/48/58/1312004858.db2.gz RGLWUXLDEVHJQO-QZTJIDSGSA-N 2 0 333.520 2.964 20 30 EFEDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000902802609 1312119190 /nfs/dbraw/zinc/11/91/90/1312119190.db2.gz PMGOMTHJDYCPQA-AZUAARDMSA-N 2 0 326.488 2.767 20 30 EFEDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000902802611 1312119270 /nfs/dbraw/zinc/11/92/70/1312119270.db2.gz PMGOMTHJDYCPQA-QUCCMNQESA-N 2 0 326.488 2.767 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001162747560 1312166495 /nfs/dbraw/zinc/16/64/95/1312166495.db2.gz ZUJIDKHFAOFRTF-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001230000333 1312168676 /nfs/dbraw/zinc/16/86/76/1312168676.db2.gz VJEOSDYZMCYWPX-HXUWFJFHSA-N 2 0 329.488 2.620 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1 ZINC000902880459 1312175857 /nfs/dbraw/zinc/17/58/57/1312175857.db2.gz ITPZRZBGBMDGEK-UFYCRDLUSA-N 2 0 327.472 2.977 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162810763 1312180951 /nfs/dbraw/zinc/18/09/51/1312180951.db2.gz OSGOWKBLZKIXLD-UYAOXDASSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001162832394 1312186246 /nfs/dbraw/zinc/18/62/46/1312186246.db2.gz RBWOCPZNUMBFFR-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162841337 1312187868 /nfs/dbraw/zinc/18/78/68/1312187868.db2.gz SEXREQOPMSOWRR-LJQANCHMSA-N 2 0 331.504 2.564 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162911461 1312201777 /nfs/dbraw/zinc/20/17/77/1312201777.db2.gz OMPYVUTZJDUVRC-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001162952517 1312210340 /nfs/dbraw/zinc/21/03/40/1312210340.db2.gz RPPQWGFGOCSOIU-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)CCC=C)CC1 ZINC001230251869 1312211195 /nfs/dbraw/zinc/21/11/95/1312211195.db2.gz NRYXYBPQXFWWOE-MISYRCLQSA-N 2 0 345.531 2.703 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](C(=O)OC)C(C)(C)[NH3+])cc1 ZINC001162956668 1312211550 /nfs/dbraw/zinc/21/15/50/1312211550.db2.gz RHOYMOAOQUPIJG-IAGOWNOFSA-N 2 0 331.460 2.700 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001230286873 1312216054 /nfs/dbraw/zinc/21/60/54/1312216054.db2.gz UXINWJRSXFRTOB-QRVBRYPASA-N 2 0 333.520 2.537 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001230286872 1312216062 /nfs/dbraw/zinc/21/60/62/1312216062.db2.gz UXINWJRSXFRTOB-GUDVDZBRSA-N 2 0 333.520 2.537 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001230286232 1312216107 /nfs/dbraw/zinc/21/61/07/1312216107.db2.gz GQKWJAAWZHTKCS-GUDVDZBRSA-N 2 0 333.520 2.537 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H](C)CC(C)C)CC2)CC1 ZINC001230354679 1312227848 /nfs/dbraw/zinc/22/78/48/1312227848.db2.gz HELJRNMGMPUOTQ-SFHVURJKSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001163160310 1312253684 /nfs/dbraw/zinc/25/36/84/1312253684.db2.gz SXXRVCPWCCTCQX-SXLOBPIMSA-N 2 0 327.472 2.657 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592181 1312277072 /nfs/dbraw/zinc/27/70/72/1312277072.db2.gz UJTYNKBNUYTBNI-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001230598555 1312278337 /nfs/dbraw/zinc/27/83/37/1312278337.db2.gz SIBWYQHQPZQOTA-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611746 1312283463 /nfs/dbraw/zinc/28/34/63/1312283463.db2.gz ZHWVXDOHOJINJG-VQTJNVASSA-N 2 0 347.547 2.689 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230617499 1312284969 /nfs/dbraw/zinc/28/49/69/1312284969.db2.gz BHQJHVIBSXFXFB-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619204 1312286816 /nfs/dbraw/zinc/28/68/16/1312286816.db2.gz WIMNPNBNRQHSSI-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230627111 1312288613 /nfs/dbraw/zinc/28/86/13/1312288613.db2.gz AXOIDTLCMFLQDF-LJQANCHMSA-N 2 0 335.536 2.996 20 30 EFEDRP CC(Nc1[nH]c2cc(=O)[nH]c-2cc1Cl)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163471794 1312320245 /nfs/dbraw/zinc/32/02/45/1312320245.db2.gz HUBXNIMOYXQSTN-UHFFFAOYSA-N 2 0 343.818 2.719 20 30 EFEDRP C=CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](CC)CC)Cc1cccnc1 ZINC001230846325 1312369187 /nfs/dbraw/zinc/36/91/87/1312369187.db2.gz FPYXORCXZPTTGX-LJQANCHMSA-N 2 0 346.519 2.696 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049097957 1312453491 /nfs/dbraw/zinc/45/34/91/1312453491.db2.gz YTJMHLPCKJXXNQ-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536983 1312535738 /nfs/dbraw/zinc/53/57/38/1312535738.db2.gz YRYMHBZXMHYOBK-UHFFFAOYSA-N 2 0 341.927 2.880 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164540380 1312536306 /nfs/dbraw/zinc/53/63/06/1312536306.db2.gz JFDPXGUIHXGUDS-SFHVURJKSA-N 2 0 345.531 2.540 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554816 1312538089 /nfs/dbraw/zinc/53/80/89/1312538089.db2.gz HRXYUYPPRJGHBG-AEFFLSMTSA-N 2 0 333.520 2.559 20 30 EFEDRP COC(C)(C)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277584096 1312583474 /nfs/dbraw/zinc/58/34/74/1312583474.db2.gz ALHKYYCORPLFKK-UXHICEINSA-N 2 0 344.503 2.846 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015476 1312605829 /nfs/dbraw/zinc/60/58/29/1312605829.db2.gz XDRGQGWYJXOZRS-PKOBYXMFSA-N 2 0 327.428 2.889 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243919 1312621962 /nfs/dbraw/zinc/62/19/62/1312621962.db2.gz JBVSATJQTYEDTB-CALCHBBNSA-N 2 0 345.487 2.701 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232114949 1312628587 /nfs/dbraw/zinc/62/85/87/1312628587.db2.gz AJICKYSUYORDSD-UHFFFAOYSA-N 2 0 336.911 2.917 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001165711485 1312668874 /nfs/dbraw/zinc/66/88/74/1312668874.db2.gz QILNNBSJNXUZQH-UHFFFAOYSA-N 2 0 333.520 2.705 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052955317 1314516096 /nfs/dbraw/zinc/51/60/96/1314516096.db2.gz CXKPWASYAVQZJX-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052965782 1314523741 /nfs/dbraw/zinc/52/37/41/1314523741.db2.gz APOMRUJDSSKDOH-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001245984810 1314559501 /nfs/dbraw/zinc/55/95/01/1314559501.db2.gz PFHRCXQXGGIRLS-QRVBRYPASA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1COC2(C[NH2+]C2)C1 ZINC001245988360 1314560959 /nfs/dbraw/zinc/56/09/59/1314560959.db2.gz VLCXKJMMLXDBQG-QZTJIDSGSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997089 1314562584 /nfs/dbraw/zinc/56/25/84/1314562584.db2.gz UEZFEPXEQZIXKN-MSOLQXFVSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1(C(=O)OCC)CC[NH2+]CC1 ZINC001246000925 1314563492 /nfs/dbraw/zinc/56/34/92/1314563492.db2.gz DYVHOKGHKXMSEE-QGZVFWFLSA-N 2 0 342.524 2.620 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246002031 1314564122 /nfs/dbraw/zinc/56/41/22/1314564122.db2.gz LENYLBVRLSHEID-QGZVFWFLSA-N 2 0 342.524 2.763 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021847 1314567516 /nfs/dbraw/zinc/56/75/16/1314567516.db2.gz IBGNUWOAQKLKEY-AABGKKOBSA-N 2 0 339.568 2.904 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026976 1314568482 /nfs/dbraw/zinc/56/84/82/1314568482.db2.gz GRYARFGLSPMDOG-IBGZPJMESA-N 2 0 339.568 2.906 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246066001 1314577954 /nfs/dbraw/zinc/57/79/54/1314577954.db2.gz XUXMMJQIVWKXOL-BZSNNMDCSA-N 2 0 342.524 2.700 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027849 1314598564 /nfs/dbraw/zinc/59/85/64/1314598564.db2.gz IDGZCDOXMQFSDS-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030020 1314604540 /nfs/dbraw/zinc/60/45/40/1314604540.db2.gz ZYAZJLJZUVRVFC-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042432 1314623939 /nfs/dbraw/zinc/62/39/39/1314623939.db2.gz PWEQNNYZKVNQTD-RBUKOAKNSA-N 2 0 347.547 2.855 20 30 EFEDRP N#Cc1ccc(C2CCC([NH2+]CCC[NH2+]CCCC[NH3+])CC2)cc1 ZINC001246457125 1314631221 /nfs/dbraw/zinc/63/12/21/1314631221.db2.gz NKUISDGPRKSGTQ-UHFFFAOYSA-N 3 0 328.504 2.893 20 30 EFEDRP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH2+]CCCC[NH3+])CC1 ZINC001246459568 1314631776 /nfs/dbraw/zinc/63/17/76/1314631776.db2.gz XIJPXBNKSGRNLF-UHFFFAOYSA-N 3 0 328.504 2.699 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050167 1314636061 /nfs/dbraw/zinc/63/60/61/1314636061.db2.gz IAKYRYHQWDHDHK-MOPGFXCFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156483 1314640292 /nfs/dbraw/zinc/64/02/92/1314640292.db2.gz NKIAWNMOFNLLHD-BZUAXINKSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053053127 1314642423 /nfs/dbraw/zinc/64/24/23/1314642423.db2.gz YWVJQBJDZMXYSO-RTBURBONSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC001246528718 1314642490 /nfs/dbraw/zinc/64/24/90/1314642490.db2.gz ZYHPRWOOIBMGFP-SJORKVTESA-N 2 0 335.492 2.628 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053952 1314643450 /nfs/dbraw/zinc/64/34/50/1314643450.db2.gz FNPIIUONXXGASF-WOJBJXKFSA-N 2 0 347.547 2.999 20 30 EFEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246631413 1314661233 /nfs/dbraw/zinc/66/12/33/1314661233.db2.gz XDXVFQTVUGMRFO-YLJYHZDGSA-N 2 0 335.536 2.927 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](C3CCC4(CCC[NH2+]C4)CC3)CC2)cc1 ZINC001246790653 1314682979 /nfs/dbraw/zinc/68/29/79/1314682979.db2.gz LPKSEBSXLUMBNB-UHFFFAOYSA-N 2 0 338.499 2.993 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053094582 1314707015 /nfs/dbraw/zinc/70/70/15/1314707015.db2.gz GBNKHCYEHCKKHH-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCCC[C@H](CC)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923724 1314708610 /nfs/dbraw/zinc/70/86/10/1314708610.db2.gz FOVAOAPHPQVKGH-SFHVURJKSA-N 3 0 342.572 2.631 20 30 EFEDRP Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCN[C@H](C#N)C2)c1 ZINC001246972864 1314719416 /nfs/dbraw/zinc/71/94/16/1314719416.db2.gz JWPJDLLTFDYAFG-LWYYNNOASA-N 2 0 326.488 2.711 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646183 1314720287 /nfs/dbraw/zinc/72/02/87/1314720287.db2.gz MGPLUMZCZDMJAW-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015584 1314771021 /nfs/dbraw/zinc/77/10/21/1314771021.db2.gz VZFWNOVJRJDOOP-ZHALLVOQSA-N 2 0 344.503 2.699 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387209 1314828208 /nfs/dbraw/zinc/82/82/08/1314828208.db2.gz JQBARXWTWKHZNZ-QRQLOZEOSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCOc1ccc(-c2noc([C@H](CCCC[NH3+])[NH2+]C)n2)c(F)c1 ZINC001247818972 1314846520 /nfs/dbraw/zinc/84/65/20/1314846520.db2.gz BMIBBBSTCUAUJS-HNNXBMFYSA-N 2 0 334.395 2.830 20 30 EFEDRP C=CCc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(O)c(OC)c1 ZINC000038556968 1314871382 /nfs/dbraw/zinc/87/13/82/1314871382.db2.gz ULJMHBAGOZLWCZ-UHFFFAOYSA-N 2 0 339.439 2.847 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216353210 1314944221 /nfs/dbraw/zinc/94/42/21/1314944221.db2.gz WQMNYCIJXDLFIB-BHIYHBOVSA-N 2 0 329.488 2.692 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001216837358 1315013627 /nfs/dbraw/zinc/01/36/27/1315013627.db2.gz CBBHHUUOGGFAAR-PORCLINASA-N 2 0 345.531 2.515 20 30 EFEDRP C#CC[C@]1(c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)CCC[NH2+]1 ZINC001249351803 1315056974 /nfs/dbraw/zinc/05/69/74/1315056974.db2.gz JPSLZUIEBQOVLK-WIRORWGXSA-N 2 0 349.438 2.800 20 30 EFEDRP C=C1CC[NH2+]C[C@H]1OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833740 1315116111 /nfs/dbraw/zinc/11/61/11/1315116111.db2.gz YZKYVRRUBBHMLB-TZIWHRDSSA-N 2 0 344.499 2.991 20 30 EFEDRP C=C1CC[NH2+]C[C@@H]1OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833737 1315116358 /nfs/dbraw/zinc/11/63/58/1315116358.db2.gz YZKYVRRUBBHMLB-FPOVZHCZSA-N 2 0 344.499 2.991 20 30 EFEDRP C=C1CC[NH2+]C[C@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218203210 1315163271 /nfs/dbraw/zinc/16/32/71/1315163271.db2.gz CSHSQQBCMUPHBN-LJQANCHMSA-N 2 0 338.455 2.772 20 30 EFEDRP CC[C@]1(c2cccc(O[C@H]3C[NH2+]C[C@@H]3C#N)c2)CCCC[N@H+](C)C1 ZINC001218205232 1315163835 /nfs/dbraw/zinc/16/38/35/1315163835.db2.gz YBIMSNKITOSREG-VDGAXYAQSA-N 2 0 327.472 2.940 20 30 EFEDRP N#Cc1c2ccccc2sc1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218649363 1315226529 /nfs/dbraw/zinc/22/65/29/1315226529.db2.gz XTPOYIVOMUYEEV-AWEZNQCLSA-N 2 0 340.452 2.586 20 30 EFEDRP C[NH+]1CCN(c2ccc3[nH]c(CCc4ccc(C#N)cc4)[nH+]c3c2)CC1 ZINC001250581571 1315226645 /nfs/dbraw/zinc/22/66/45/1315226645.db2.gz FXAZKCUTPGEYIL-UHFFFAOYSA-N 2 0 345.450 2.972 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054128908 1315337694 /nfs/dbraw/zinc/33/76/94/1315337694.db2.gz GMWKEPKWLSDQBV-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054134458 1315346026 /nfs/dbraw/zinc/34/60/26/1315346026.db2.gz DVERMYRXMQCLCO-ZVDOUQERSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135196 1315347407 /nfs/dbraw/zinc/34/74/07/1315347407.db2.gz WCUNXLLLYTVZDP-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054140787 1315355827 /nfs/dbraw/zinc/35/58/27/1315355827.db2.gz ZGTRATFEVSKQJH-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141387 1315357187 /nfs/dbraw/zinc/35/71/87/1315357187.db2.gz KGXTXOINKDNIFJ-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144167 1315361114 /nfs/dbraw/zinc/36/11/14/1315361114.db2.gz RAGSBDQKFZNOER-FPOVZHCZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144166 1315361701 /nfs/dbraw/zinc/36/17/01/1315361701.db2.gz RAGSBDQKFZNOER-CTNGQTDRSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145672 1315364962 /nfs/dbraw/zinc/36/49/62/1315364962.db2.gz VSZGBLODGUWIMJ-SFHVURJKSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147126 1315368121 /nfs/dbraw/zinc/36/81/21/1315368121.db2.gz KTMDZYIBBDIKDO-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148407 1315370289 /nfs/dbraw/zinc/37/02/89/1315370289.db2.gz NERDZRCXLKHZGS-AZUAARDMSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148408 1315370518 /nfs/dbraw/zinc/37/05/18/1315370518.db2.gz NERDZRCXLKHZGS-ICSRJNTNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160052 1315388488 /nfs/dbraw/zinc/38/84/88/1315388488.db2.gz UEVBQYJHSMTAIM-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252128164 1315416842 /nfs/dbraw/zinc/41/68/42/1315416842.db2.gz JODHZKCFSYFLAZ-SLFFLAALSA-N 2 0 339.568 2.808 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252139171 1315418594 /nfs/dbraw/zinc/41/85/94/1315418594.db2.gz KBNZOIKWSVTDJO-IBGZPJMESA-N 2 0 326.525 2.798 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182615 1315422939 /nfs/dbraw/zinc/42/29/39/1315422939.db2.gz NYHSDTDYPGZIKW-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182455 1315423244 /nfs/dbraw/zinc/42/32/44/1315423244.db2.gz KOZIBHFJOFHJST-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054185603 1315427140 /nfs/dbraw/zinc/42/71/40/1315427140.db2.gz GBLKFKDFNOCCCK-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220663301 1315437776 /nfs/dbraw/zinc/43/77/76/1315437776.db2.gz BSRLFXNKWJIKRU-WMZOPIPTSA-N 2 0 347.503 2.924 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209269 1315460239 /nfs/dbraw/zinc/46/02/39/1315460239.db2.gz MWHIOGYVQHSTBJ-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209782 1315461050 /nfs/dbraw/zinc/46/10/50/1315461050.db2.gz XQWISWGEXZPNQK-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552193 1315466574 /nfs/dbraw/zinc/46/65/74/1315466574.db2.gz HQTFTIHCZWMKRU-VQTJNVASSA-N 2 0 344.499 2.679 20 30 EFEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001252552688 1315466894 /nfs/dbraw/zinc/46/68/94/1315466894.db2.gz YKZGESVWZGSBLB-HXUWFJFHSA-N 2 0 344.499 2.599 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054221816 1315478646 /nfs/dbraw/zinc/47/86/46/1315478646.db2.gz CLADVEHWSWJGJE-HXUWFJFHSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226797 1315485135 /nfs/dbraw/zinc/48/51/35/1315485135.db2.gz ZRCYQXSANACRQU-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243631 1315512685 /nfs/dbraw/zinc/51/26/85/1315512685.db2.gz KLLIVYJRZPZFBM-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054244830 1315515450 /nfs/dbraw/zinc/51/54/50/1315515450.db2.gz JEYVVVOVCWKEOQ-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001054244829 1315515583 /nfs/dbraw/zinc/51/55/83/1315515583.db2.gz JEYVVVOVCWKEOQ-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245540 1315516141 /nfs/dbraw/zinc/51/61/41/1315516141.db2.gz VEVFAZJIECTRMT-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039135714 1315520901 /nfs/dbraw/zinc/52/09/01/1315520901.db2.gz IGMNZKNQSNNAOY-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138359 1315525344 /nfs/dbraw/zinc/52/53/44/1315525344.db2.gz OVOZLQVCDSLDEC-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039151994 1315545576 /nfs/dbraw/zinc/54/55/76/1315545576.db2.gz QIIBUHINFUFSCD-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155948 1315551547 /nfs/dbraw/zinc/55/15/47/1315551547.db2.gz GFRWAYFPUWUPEV-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221561077 1315551880 /nfs/dbraw/zinc/55/18/80/1315551880.db2.gz XANHEJJUXGDEGQ-NCXUSEDFSA-N 2 0 335.536 2.830 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039155949 1315552183 /nfs/dbraw/zinc/55/21/83/1315552183.db2.gz GFRWAYFPUWUPEV-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156555 1315553053 /nfs/dbraw/zinc/55/30/53/1315553053.db2.gz RKRRTARSXUWREU-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165065 1315563981 /nfs/dbraw/zinc/56/39/81/1315563981.db2.gz NIISCAYSUAYGSG-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221616599 1315564222 /nfs/dbraw/zinc/56/42/22/1315564222.db2.gz QUVRPQDUDWKRSO-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039166497 1315566096 /nfs/dbraw/zinc/56/60/96/1315566096.db2.gz ZFKHVXKNDMOKKB-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039166495 1315566986 /nfs/dbraw/zinc/56/69/86/1315566986.db2.gz ZFKHVXKNDMOKKB-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039181793 1315588690 /nfs/dbraw/zinc/58/86/90/1315588690.db2.gz BDHIJEHNFABWMQ-HXUWFJFHSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224091 1315644213 /nfs/dbraw/zinc/64/42/13/1315644213.db2.gz CQDTWGBGLASYFZ-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225457 1315646508 /nfs/dbraw/zinc/64/65/08/1315646508.db2.gz OIVBIMGULVJVFW-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225456 1315646602 /nfs/dbraw/zinc/64/66/02/1315646602.db2.gz OIVBIMGULVJVFW-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226563 1315648111 /nfs/dbraw/zinc/64/81/11/1315648111.db2.gz WHNJKOSDXCKQPJ-MOPGFXCFSA-N 2 0 344.503 2.942 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234157 1315657797 /nfs/dbraw/zinc/65/77/97/1315657797.db2.gz PRCWGAXSIYMTPM-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237340 1315663255 /nfs/dbraw/zinc/66/32/55/1315663255.db2.gz HLIKIJYYUPREJI-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP N#CCC1CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254038595 1315667982 /nfs/dbraw/zinc/66/79/82/1315667982.db2.gz JLSKQHGUOPYIAX-UHFFFAOYSA-N 2 0 327.472 2.639 20 30 EFEDRP C#Cc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001254050576 1315669255 /nfs/dbraw/zinc/66/92/55/1315669255.db2.gz OMQVLAMDOKXXBT-UHFFFAOYSA-N 2 0 334.463 2.785 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243710 1315672324 /nfs/dbraw/zinc/67/23/24/1315672324.db2.gz VWCPLCDERGOJOP-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244845 1315674228 /nfs/dbraw/zinc/67/42/28/1315674228.db2.gz ZDSXMLXEKRTDIF-VQTJNVASSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000768466 1315685398 /nfs/dbraw/zinc/68/53/98/1315685398.db2.gz YVZOJBGXFAVXRA-IBGZPJMESA-N 2 0 333.520 2.679 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001039298226 1315707285 /nfs/dbraw/zinc/70/72/85/1315707285.db2.gz QLNVNKYCUXFVIQ-HZTRTUMWSA-N 2 0 339.911 2.582 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039299224 1315707439 /nfs/dbraw/zinc/70/74/39/1315707439.db2.gz XHDLOZPRTMVNBB-QBUWPKIASA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001405801 1315729487 /nfs/dbraw/zinc/72/94/87/1315729487.db2.gz UMKXPWWAZPSQBW-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039373428 1315746258 /nfs/dbraw/zinc/74/62/58/1315746258.db2.gz UFPUWDLHDBWGCQ-QYZOEREBSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375687 1315747910 /nfs/dbraw/zinc/74/79/10/1315747910.db2.gz RVQQTTDRMFSJSN-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410809 1315773143 /nfs/dbraw/zinc/77/31/43/1315773143.db2.gz ADDVFZYGLMSFTN-CEXWTWQISA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458118 1315804954 /nfs/dbraw/zinc/80/49/54/1315804954.db2.gz GHGJBLYPGJSOPF-UXHICEINSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C(=O)NCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255387195 1315814438 /nfs/dbraw/zinc/81/44/38/1315814438.db2.gz QUNTUAYELKDOKS-IBGZPJMESA-N 2 0 329.488 2.713 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473242 1315816087 /nfs/dbraw/zinc/81/60/87/1315816087.db2.gz CFLHCYZRSAJBOV-MOPGFXCFSA-N 2 0 327.472 2.613 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474756 1315817803 /nfs/dbraw/zinc/81/78/03/1315817803.db2.gz YVJCSPCVURIBHV-MOPGFXCFSA-N 2 0 333.520 2.894 20 30 EFEDRP CN1CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201265 1315916446 /nfs/dbraw/zinc/91/64/46/1315916446.db2.gz BAFXSWVVHKNLKJ-WGSAOQKQSA-N 2 0 326.488 2.724 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052443820 1315947759 /nfs/dbraw/zinc/94/77/59/1315947759.db2.gz GKVQQLNXSLJTJG-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP N#CC1CCC([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)CC1 ZINC001256958624 1316014414 /nfs/dbraw/zinc/01/44/14/1316014414.db2.gz KQPZBFRSBSTQMC-URYRSFGFSA-N 2 0 344.547 2.997 20 30 EFEDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C#N)CC1)C2 ZINC001256966655 1316015825 /nfs/dbraw/zinc/01/58/25/1316015825.db2.gz MNLNIEGSLNIYEC-XUUQEUKMSA-N 2 0 331.504 2.749 20 30 EFEDRP N#Cc1ccc(C2CCC([NH2+]CC3CC[NH+](CCO)CC3)CC2)cc1 ZINC001257011200 1316021228 /nfs/dbraw/zinc/02/12/28/1316021228.db2.gz YHOMDALMZRPYAX-UHFFFAOYSA-N 2 0 341.499 2.878 20 30 EFEDRP N#Cc1ccc(C2CCC([NH+]3CCN(CCC[NH3+])CC3)CC2)cc1 ZINC001257013070 1316021496 /nfs/dbraw/zinc/02/14/96/1316021496.db2.gz XSRMKFIJERIBQB-UHFFFAOYSA-N 2 0 326.488 2.551 20 30 EFEDRP C=C1C[C@@H]2CC([NH+]3CCC([NH+]4CCC(C(N)=O)CC4)CC3)C[C@H](C1)C2 ZINC001257894957 1316100912 /nfs/dbraw/zinc/10/09/12/1316100912.db2.gz FHNJUPRLAJVXFD-XEWABKELSA-N 2 0 345.531 2.783 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206917 1316143663 /nfs/dbraw/zinc/14/36/63/1316143663.db2.gz ARVYWHHPMPCYOG-TZIWHRDSSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233370 1316157139 /nfs/dbraw/zinc/15/71/39/1316157139.db2.gz ZCBHCMZWRWWAIX-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237159 1316158758 /nfs/dbraw/zinc/15/87/58/1316158758.db2.gz RKZRFHQFCCQYLO-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257197 1316168665 /nfs/dbraw/zinc/16/86/65/1316168665.db2.gz COIKNXYQHPZBOB-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040257196 1316168687 /nfs/dbraw/zinc/16/86/87/1316168687.db2.gz COIKNXYQHPZBOB-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](CCC)CC1)CC2 ZINC001258771867 1316176349 /nfs/dbraw/zinc/17/63/49/1316176349.db2.gz YPBBVBBHOHRYBM-UHFFFAOYSA-N 2 0 335.492 2.581 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279906 1316180834 /nfs/dbraw/zinc/18/08/34/1316180834.db2.gz BBIBAGVXNRTXMN-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313787 1316197924 /nfs/dbraw/zinc/19/79/24/1316197924.db2.gz MWVNWPUFDXAOBV-PZJWPPBQSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040348885 1316214700 /nfs/dbraw/zinc/21/47/00/1316214700.db2.gz TURXELGRHANBIT-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040356834 1316219474 /nfs/dbraw/zinc/21/94/74/1316219474.db2.gz LIAXURBLEFJWTE-IRFCIJBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396121 1316241591 /nfs/dbraw/zinc/24/15/91/1316241591.db2.gz SBIKUEQPNNWSNY-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396116 1316242084 /nfs/dbraw/zinc/24/20/84/1316242084.db2.gz SBIKUEQPNNWSNY-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433247 1316263377 /nfs/dbraw/zinc/26/33/77/1316263377.db2.gz VCCJJENGBATMEM-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464713 1316280105 /nfs/dbraw/zinc/28/01/05/1316280105.db2.gz PFBQHLJZKVCRKI-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492682 1316291462 /nfs/dbraw/zinc/29/14/62/1316291462.db2.gz DFKZHAVUFNJSPS-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545577 1316316432 /nfs/dbraw/zinc/31/64/32/1316316432.db2.gz RDGMYIXXXODVHA-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001040741468 1316364306 /nfs/dbraw/zinc/36/43/06/1316364306.db2.gz VDYQNWQNHFFGBU-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001040761392 1316369333 /nfs/dbraw/zinc/36/93/33/1316369333.db2.gz VKTLTSQBLDCIAG-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040786794 1316375046 /nfs/dbraw/zinc/37/50/46/1316375046.db2.gz IUHSJJLPXUREOX-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)C2)CC1 ZINC001040824831 1316383491 /nfs/dbraw/zinc/38/34/91/1316383491.db2.gz XRZLYALTBBYCEN-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849279 1316388765 /nfs/dbraw/zinc/38/87/65/1316388765.db2.gz PFNXNIBHVDBWCZ-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040912737 1316403393 /nfs/dbraw/zinc/40/33/93/1316403393.db2.gz SYQVTIDLIJDWBP-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912749 1316403582 /nfs/dbraw/zinc/40/35/82/1316403582.db2.gz SYQVTIDLIJDWBP-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059821 1316433349 /nfs/dbraw/zinc/43/33/49/1316433349.db2.gz WFUJUZKEYFBAEL-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C[NH+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001262558099 1316471942 /nfs/dbraw/zinc/47/19/42/1316471942.db2.gz VAVRVYFLPMSZRE-UHFFFAOYSA-N 2 0 336.439 2.738 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276244 1316498734 /nfs/dbraw/zinc/49/87/34/1316498734.db2.gz JOYXWMORCQLZND-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041325492 1316514834 /nfs/dbraw/zinc/51/48/34/1316514834.db2.gz AYAVKTWPIREOEJ-LJQANCHMSA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348671 1316523128 /nfs/dbraw/zinc/52/31/28/1316523128.db2.gz KWUIVBDGWBALHX-PZJWPPBQSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358379 1316527008 /nfs/dbraw/zinc/52/70/08/1316527008.db2.gz NKMHXLHMENJVBH-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358026 1316527185 /nfs/dbraw/zinc/52/71/85/1316527185.db2.gz KNTXZZPWWCPCMX-QUCCMNQESA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686088 1316529664 /nfs/dbraw/zinc/52/96/64/1316529664.db2.gz NVTODCZUZRKRQJ-JYJNAYRXSA-N 2 0 327.900 2.581 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686089 1316529831 /nfs/dbraw/zinc/52/98/31/1316529831.db2.gz NVTODCZUZRKRQJ-XHSDSOJGSA-N 2 0 327.900 2.581 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432490 1316550249 /nfs/dbraw/zinc/55/02/49/1316550249.db2.gz QJUYVQPGJJPBSF-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041430169 1316550407 /nfs/dbraw/zinc/55/04/07/1316550407.db2.gz AXHWEKUTMLWXEA-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433155 1316550732 /nfs/dbraw/zinc/55/07/32/1316550732.db2.gz VRZUZWYXFKSVQZ-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001041505427 1316569862 /nfs/dbraw/zinc/56/98/62/1316569862.db2.gz ICOGQBANSDEPOH-NRFANRHFSA-N 2 0 341.499 2.515 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587817 1316609852 /nfs/dbraw/zinc/60/98/52/1316609852.db2.gz SIOIVEJVJNHVDX-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041603993 1316616728 /nfs/dbraw/zinc/61/67/28/1316616728.db2.gz ZTQFEYBVBYMROZ-CMKODMSKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)C1 ZINC001041665528 1316640742 /nfs/dbraw/zinc/64/07/42/1316640742.db2.gz UDGPFNJRYNLUHZ-UZLBHIALSA-N 2 0 342.487 2.720 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723426 1316665608 /nfs/dbraw/zinc/66/56/08/1316665608.db2.gz HYSSHXNWEMORQN-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724849 1316667308 /nfs/dbraw/zinc/66/73/08/1316667308.db2.gz GMMIZMXLTBDBTM-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769679 1316689407 /nfs/dbraw/zinc/68/94/07/1316689407.db2.gz SPPIIGWZUXIRTG-HXUWFJFHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782550 1316696752 /nfs/dbraw/zinc/69/67/52/1316696752.db2.gz AHEIERSTKIVWRY-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041844278 1316730805 /nfs/dbraw/zinc/73/08/05/1316730805.db2.gz GBCPTLDSUYTQMG-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042158235 1316919123 /nfs/dbraw/zinc/91/91/23/1316919123.db2.gz VYBODAXVPLIIKE-LPHOPBHVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308378 1317128174 /nfs/dbraw/zinc/12/81/74/1317128174.db2.gz UWIBGHLQKHNCQE-QUCCMNQESA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001324225025 1329609337 /nfs/dbraw/zinc/60/93/37/1329609337.db2.gz GJLOJCGDTJWESY-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001325038954 1329666084 /nfs/dbraw/zinc/66/60/84/1329666084.db2.gz IFEANDLSMXXHDG-IHWFROFDSA-N 2 0 341.499 2.806 20 30 EFEDRP C=CCn1c([C@@H]2CCCN2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339110513 1331793504 /nfs/dbraw/zinc/79/35/04/1331793504.db2.gz QFMQNNZDJVEXIN-KRWDZBQOSA-N 2 0 346.523 2.541 20 30 EFEDRP CCCCCCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001340296907 1332169401 /nfs/dbraw/zinc/16/94/01/1332169401.db2.gz KOGQBZQXNGVTQY-STQMWFEESA-N 2 0 338.521 2.976 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001340400310 1332188125 /nfs/dbraw/zinc/18/81/25/1332188125.db2.gz OKKZKBFOIVGCSI-IBGZPJMESA-N 2 0 344.503 2.839 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570366 1332268656 /nfs/dbraw/zinc/26/86/56/1332268656.db2.gz XNGYHBFJNXDEHR-RBUKOAKNSA-N 2 0 329.488 2.698 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001341643250 1332273442 /nfs/dbraw/zinc/27/34/42/1332273442.db2.gz NGDYZHSLXXSMEK-GOSISDBHSA-N 2 0 333.451 2.544 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001341789504 1332284000 /nfs/dbraw/zinc/28/40/00/1332284000.db2.gz XZNNWLPSLMIMFP-QGZVFWFLSA-N 2 0 339.430 2.539 20 30 EFEDRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001348958387 1332889032 /nfs/dbraw/zinc/88/90/32/1332889032.db2.gz STTYWUCRBSRKJK-UHFFFAOYSA-N 2 0 328.460 2.598 20 30 EFEDRP C=CCn1c([C@H]2CCCCN2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001351614959 1333256756 /nfs/dbraw/zinc/25/67/56/1333256756.db2.gz CAQWYECEOPGBDZ-QGZVFWFLSA-N 2 0 346.523 2.541 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001926098 1333752511 /nfs/dbraw/zinc/75/25/11/1333752511.db2.gz UGJFTLAUWJFHSD-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943212 1333788308 /nfs/dbraw/zinc/78/83/08/1333788308.db2.gz PUJKQADEADDDKG-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002044407 1333982006 /nfs/dbraw/zinc/98/20/06/1333982006.db2.gz BZMBJQDSSRRMEM-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001100676933 1334552975 /nfs/dbraw/zinc/55/29/75/1334552975.db2.gz VEKIKXWFBNEYRH-UHFFFAOYSA-N 2 0 343.515 2.855 20 30 EFEDRP CC[NH+](CC)[C@@H](CNC(NCc1ccco1)=[NH+]C)Cc1ccccc1 ZINC000849032778 1335048998 /nfs/dbraw/zinc/04/89/98/1335048998.db2.gz ODJAGFOYQGDPBU-GOSISDBHSA-N 2 0 342.487 2.898 20 30 EFEDRP OCCC[N@@H+]1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849113696 1335554524 /nfs/dbraw/zinc/55/45/24/1335554524.db2.gz RGYFUTZNMBMAJO-LJQANCHMSA-N 2 0 344.503 2.787 20 30 EFEDRP OCCC[N@@H+]1CCC[C@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849113695 1335554727 /nfs/dbraw/zinc/55/47/27/1335554727.db2.gz RGYFUTZNMBMAJO-IBGZPJMESA-N 2 0 344.503 2.787 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001367183484 1338486125 /nfs/dbraw/zinc/48/61/25/1338486125.db2.gz RRVYYMNXAKOUID-GOSISDBHSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001367435852 1338738097 /nfs/dbraw/zinc/73/80/97/1338738097.db2.gz AFZNZEMPZXDDAI-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001367663256 1338912989 /nfs/dbraw/zinc/91/29/89/1338912989.db2.gz RZHIFKHQFRNMDO-YOEHRIQHSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCc2c[nH]cn2)CCCC[C@@H]1C ZINC001373907847 1341198645 /nfs/dbraw/zinc/19/86/45/1341198645.db2.gz YGDRHMNHDIKGHR-GUYCJALGSA-N 2 0 338.883 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374362424 1341799088 /nfs/dbraw/zinc/79/90/88/1341799088.db2.gz GPOCDPSYUXJSBL-KRWDZBQOSA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001374571769 1342083425 /nfs/dbraw/zinc/08/34/25/1342083425.db2.gz RTJXMEXBVDBVRW-ZWKOTPCHSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001375174552 1342490468 /nfs/dbraw/zinc/49/04/68/1342490468.db2.gz FVFTYYPHCMTLML-HZPDHXFCSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001375178738 1342494243 /nfs/dbraw/zinc/49/42/43/1342494243.db2.gz VVLFZNNRWPZJGC-IAGOWNOFSA-N 2 0 341.927 2.735 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001380086401 1347509281 /nfs/dbraw/zinc/50/92/81/1347509281.db2.gz IIEMBTFZRFTWMK-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001382532315 1348997668 /nfs/dbraw/zinc/99/76/68/1348997668.db2.gz DIEHLEKQHMCGQB-HNNXBMFYSA-N 2 0 329.916 2.591 20 30 EFEDRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382537388 1349004066 /nfs/dbraw/zinc/00/40/66/1349004066.db2.gz UFZQICYEFQZRHF-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382541129 1349007958 /nfs/dbraw/zinc/00/79/58/1349007958.db2.gz QLAXUDGKHGCXAX-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001392343903 1356009994 /nfs/dbraw/zinc/00/99/94/1356009994.db2.gz BZYUDMHJUUPZJG-IRXDYDNUSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001392740241 1356297451 /nfs/dbraw/zinc/29/74/51/1356297451.db2.gz YJCRTSAHIRAWJP-SJORKVTESA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001393177201 1356682742 /nfs/dbraw/zinc/68/27/42/1356682742.db2.gz VHQWLLATPHDEAD-HNNXBMFYSA-N 2 0 347.906 2.637 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001393404951 1356823923 /nfs/dbraw/zinc/82/39/23/1356823923.db2.gz QYERVRKLQZRQCX-JYJNAYRXSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001394430580 1357809898 /nfs/dbraw/zinc/80/98/98/1357809898.db2.gz TVPYFJLLDKFGGP-MRXNPFEDSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401293732 1362639820 /nfs/dbraw/zinc/63/98/20/1362639820.db2.gz ZFWATCZYRUUKRW-IAGOWNOFSA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401293730 1362639832 /nfs/dbraw/zinc/63/98/32/1362639832.db2.gz ZFWATCZYRUUKRW-DLBZAZTESA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001401850481 1363186925 /nfs/dbraw/zinc/18/69/25/1363186925.db2.gz ILOIMXDVIVWHID-MRXNPFEDSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCC1 ZINC001402093683 1363399383 /nfs/dbraw/zinc/39/93/83/1363399383.db2.gz BGQCTBDTGZWBSZ-INIZCTEOSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001402762674 1364010017 /nfs/dbraw/zinc/01/00/17/1364010017.db2.gz BWNTVASHRQAPNY-IAGOWNOFSA-N 2 0 341.927 2.926 20 30 EFEDRP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001402891605 1364114225 /nfs/dbraw/zinc/11/42/25/1364114225.db2.gz QVANHUUPHCEZQC-UHFFFAOYSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001405484393 1366231985 /nfs/dbraw/zinc/23/19/85/1366231985.db2.gz VEQPZPSREPVMCE-RDTXWAMCSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001405484388 1366232032 /nfs/dbraw/zinc/23/20/32/1366232032.db2.gz VEQPZPSREPVMCE-KDOFPFPSSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001405484383 1366232515 /nfs/dbraw/zinc/23/25/15/1366232515.db2.gz VEQPZPSREPVMCE-KBXCAEBGSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001406077145 1367190171 /nfs/dbraw/zinc/19/01/71/1367190171.db2.gz LUKHZLGMZRNLQI-KRWDZBQOSA-N 2 0 337.895 2.845 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001407119213 1368447001 /nfs/dbraw/zinc/44/70/01/1368447001.db2.gz WDYXLLNRYILOJV-KRWDZBQOSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001407535440 1368953442 /nfs/dbraw/zinc/95/34/42/1368953442.db2.gz KUQMGBIQJWTUNU-WKILWMFISA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001407702469 1369134329 /nfs/dbraw/zinc/13/43/29/1369134329.db2.gz DRLCBPZOPIIJAR-JYJNAYRXSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001407872507 1369332983 /nfs/dbraw/zinc/33/29/83/1369332983.db2.gz ZNOIJKDQOBASPF-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890803 1373378036 /nfs/dbraw/zinc/37/80/36/1373378036.db2.gz IBMCPPQGPGOJPG-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001419831250 1375951748 /nfs/dbraw/zinc/95/17/48/1375951748.db2.gz NQVDLNPABBUUCI-HOTGVXAUSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001420733401 1377580269 /nfs/dbraw/zinc/58/02/69/1377580269.db2.gz RRSBJYSRSUVUQH-AWEZNQCLSA-N 2 0 341.908 2.660 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001420945387 1377921348 /nfs/dbraw/zinc/92/13/48/1377921348.db2.gz NMFQCNLIVUDUNV-HNNXBMFYSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)CN1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001421635173 1378920407 /nfs/dbraw/zinc/92/04/07/1378920407.db2.gz PBFUYPLNZDEZLS-JKSUJKDBSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001421842023 1379221719 /nfs/dbraw/zinc/22/17/19/1379221719.db2.gz SZIUEQGLDBXMID-INIZCTEOSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001422045781 1379537917 /nfs/dbraw/zinc/53/79/17/1379537917.db2.gz FKGYVVARFZNNDU-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001423327743 1381790174 /nfs/dbraw/zinc/79/01/74/1381790174.db2.gz UGRGMKFYBXJNPI-QGZVFWFLSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cnc1C)C1CCCCC1 ZINC001438756985 1388789138 /nfs/dbraw/zinc/78/91/38/1388789138.db2.gz WHDXMHDCLSJAIF-MRXNPFEDSA-N 2 0 338.883 2.668 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001425876262 1383820590 /nfs/dbraw/zinc/82/05/90/1383820590.db2.gz JPLQOPIMEMUWRB-WBVHZDCISA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001440222735 1389452451 /nfs/dbraw/zinc/45/24/51/1389452451.db2.gz YSYMWZVGXTVFDJ-ULQDDVLXSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507324006 1406888662 /nfs/dbraw/zinc/88/86/62/1406888662.db2.gz YGROCSRJXJAGJA-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001495469381 1400006936 /nfs/dbraw/zinc/00/69/36/1400006936.db2.gz FHEQTKXCZUXNTJ-BZUAXINKSA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001496071195 1400454426 /nfs/dbraw/zinc/45/44/26/1400454426.db2.gz QBUQKSHGGYSPAJ-GFCCVEGCSA-N 2 0 329.897 2.612 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001501092421 1403437269 /nfs/dbraw/zinc/43/72/69/1403437269.db2.gz UAMRZGFYZDBSPZ-SJLPKXTDSA-N 2 0 349.906 2.698 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001568141294 1416424116 /nfs/dbraw/zinc/42/41/16/1416424116.db2.gz FQFMHNSRVTZIOL-GOSISDBHSA-N 2 0 333.520 2.942 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001714135269 1418583563 /nfs/dbraw/zinc/58/35/63/1418583563.db2.gz KMGBARZSTNFTKD-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153827 712940536 /nfs/dbraw/zinc/94/05/36/712940536.db2.gz PZPGNVVFMYAGOC-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683422 713217647 /nfs/dbraw/zinc/21/76/47/713217647.db2.gz ZYXYXTMRTGKDFN-DLBZAZTESA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000969691904 713220495 /nfs/dbraw/zinc/22/04/95/713220495.db2.gz AVMLNLRLLNEQFO-NVXWUHKLSA-N 2 0 339.911 2.727 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001021092886 713563548 /nfs/dbraw/zinc/56/35/48/713563548.db2.gz UHCURHNJNKJUSD-MXVIHJGJSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980218409 717933226 /nfs/dbraw/zinc/93/32/26/717933226.db2.gz NDVVELYBOCEDPS-XUVXKRRUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(Cl)CN1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021607869 714169335 /nfs/dbraw/zinc/16/93/35/714169335.db2.gz YBVAEOSTYBCPSI-DOTOQJQBSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970955494 714178487 /nfs/dbraw/zinc/17/84/87/714178487.db2.gz WIHXRPFOUOBEHI-OAHLLOKOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621959 714191505 /nfs/dbraw/zinc/19/15/05/714191505.db2.gz GAPMGAYPXPIVLG-IEBWSBKVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622025 714191706 /nfs/dbraw/zinc/19/17/06/714191706.db2.gz GUKZNWKCCQHVBV-PKOBYXMFSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666118 714264816 /nfs/dbraw/zinc/26/48/16/714264816.db2.gz PHTDXKLMDSIFSX-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701249 714334542 /nfs/dbraw/zinc/33/45/42/714334542.db2.gz WORGIUBUYVCJPV-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707654 714345151 /nfs/dbraw/zinc/34/51/51/714345151.db2.gz WRYLEQREZXYURC-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706767 714345807 /nfs/dbraw/zinc/34/58/07/714345807.db2.gz OVKPDYKCAZENCB-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711380 714349297 /nfs/dbraw/zinc/34/92/97/714349297.db2.gz VYCBWRCWPSGDHE-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738901 714401042 /nfs/dbraw/zinc/40/10/42/714401042.db2.gz DSDJUMCBRVREQP-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738902 714401209 /nfs/dbraw/zinc/40/12/09/714401209.db2.gz DSDJUMCBRVREQP-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001022588480 715237101 /nfs/dbraw/zinc/23/71/01/715237101.db2.gz JAZXEHVIMGRTTO-HLLBOEOZSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005400 715238485 /nfs/dbraw/zinc/23/84/85/715238485.db2.gz LOFFTGCZDVUVBN-GOSISDBHSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C(C)(C)C1 ZINC000975044053 715447334 /nfs/dbraw/zinc/44/73/34/715447334.db2.gz WYBWZBQMJXDZLP-WMZOPIPTSA-N 2 0 344.503 2.547 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009610435 715691697 /nfs/dbraw/zinc/69/16/97/715691697.db2.gz MILDXHVTWWMPMJ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000985469465 724438916 /nfs/dbraw/zinc/43/89/16/724438916.db2.gz FAPOHCJORJVWGC-LJQANCHMSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000977500417 716278414 /nfs/dbraw/zinc/27/84/14/716278414.db2.gz QXUFHIIUXQXVPD-QGZVFWFLSA-N 2 0 330.476 2.554 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413368 716437495 /nfs/dbraw/zinc/43/74/95/716437495.db2.gz DBJKFIGMXWXWDU-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654432 716445897 /nfs/dbraw/zinc/44/58/97/716445897.db2.gz LPTRZOTZBNLZSW-GOSISDBHSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662646 716458587 /nfs/dbraw/zinc/45/85/87/716458587.db2.gz PVMXIIHMGKTQAH-QGZVFWFLSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023456875 716492608 /nfs/dbraw/zinc/49/26/08/716492608.db2.gz BCBSERXKYFOTOP-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)CN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455689 716494409 /nfs/dbraw/zinc/49/44/09/716494409.db2.gz OYWPYBKYVOXAOP-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978951554 716598662 /nfs/dbraw/zinc/59/86/62/716598662.db2.gz QBKSRVQGPXSIHU-YSTOQKLRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978955547 716601420 /nfs/dbraw/zinc/60/14/20/716601420.db2.gz ZRLLVFFCAOONGR-AKHDSKFASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568320 716634911 /nfs/dbraw/zinc/63/49/11/716634911.db2.gz KVBCZQLXZDRVTP-SJLPKXTDSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000947568319 716634993 /nfs/dbraw/zinc/63/49/93/716634993.db2.gz KVBCZQLXZDRVTP-FUHWJXTLSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576950 716701795 /nfs/dbraw/zinc/70/17/95/716701795.db2.gz APAKATBRDYJSLI-LPHOPBHVSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169934 716867554 /nfs/dbraw/zinc/86/75/54/716867554.db2.gz VLVGNCZWQVRSAZ-FRYIKTPZSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770466 716991637 /nfs/dbraw/zinc/99/16/37/716991637.db2.gz ZYNJSCAJROMFPT-INIZCTEOSA-N 2 0 333.476 2.749 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930352 717244560 /nfs/dbraw/zinc/24/45/60/717244560.db2.gz OAMRNNZNSVQWLI-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484862 717326298 /nfs/dbraw/zinc/32/62/98/717326298.db2.gz CPMFBERISZXATL-DLBZAZTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980522926 717390619 /nfs/dbraw/zinc/39/06/19/717390619.db2.gz CXGPVJRUZHMXKX-MRXNPFEDSA-N 2 0 333.476 2.844 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@H]2C1 ZINC000979990875 717640345 /nfs/dbraw/zinc/64/03/45/717640345.db2.gz RTMXMFHNYAQBCF-BZSNNMDCSA-N 2 0 344.503 2.719 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980002411 717654677 /nfs/dbraw/zinc/65/46/77/717654677.db2.gz QPIDUQUIHOPJAJ-OTWHNJEPSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980089205 717732837 /nfs/dbraw/zinc/73/28/37/717732837.db2.gz XJHSCEVMTZOXHS-IPMKNSEASA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479263 717792764 /nfs/dbraw/zinc/79/27/64/717792764.db2.gz CYWRXNVATNRMHB-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479309 717793672 /nfs/dbraw/zinc/79/36/72/717793672.db2.gz FDRCTOHQQHJMSE-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980155189 717812259 /nfs/dbraw/zinc/81/22/59/717812259.db2.gz IAAYVOQKKUBYHX-RYQLBKOJSA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502360 717830693 /nfs/dbraw/zinc/83/06/93/717830693.db2.gz MFXBTMYSHSXVPI-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166822 717831202 /nfs/dbraw/zinc/83/12/02/717831202.db2.gz JLZIEHNWEAXFCV-OTWHNJEPSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885586 717832466 /nfs/dbraw/zinc/83/24/66/717832466.db2.gz HKOVTUUONBSTAT-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000304756571 724474943 /nfs/dbraw/zinc/47/49/43/724474943.db2.gz NUVAGOWMGDQAAM-MRXNPFEDSA-N 2 0 332.492 2.577 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980181205 717848553 /nfs/dbraw/zinc/84/85/53/717848553.db2.gz XLULYOYIJDHXSN-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980173737 717857499 /nfs/dbraw/zinc/85/74/99/717857499.db2.gz SRDLZJCAFCEVEG-BZSNNMDCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187968 717876542 /nfs/dbraw/zinc/87/65/42/717876542.db2.gz KWKZOGUOGWTGLL-OTWHNJEPSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980188864 717877683 /nfs/dbraw/zinc/87/76/83/717877683.db2.gz UKTPPTDKRFAJAM-UFYCRDLUSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981165464 718169551 /nfs/dbraw/zinc/16/95/51/718169551.db2.gz DAUIZXRUEIDQLE-HZPDHXFCSA-N 2 0 339.911 2.632 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814044 718174332 /nfs/dbraw/zinc/17/43/32/718174332.db2.gz NETXVKJXEPXAKT-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)(C)C)CC1 ZINC001024812423 718175357 /nfs/dbraw/zinc/17/53/57/718175357.db2.gz OSHYOMRFWGIIDE-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(CC)CC)CC1 ZINC001024812610 718175364 /nfs/dbraw/zinc/17/53/64/718175364.db2.gz PZBOJFPJNKWFLQ-HXUWFJFHSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985497265 724495379 /nfs/dbraw/zinc/49/53/79/724495379.db2.gz UPJKNUVTPOHVBH-SJORKVTESA-N 2 0 339.911 2.679 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241325 718461184 /nfs/dbraw/zinc/46/11/84/718461184.db2.gz WIVGWWJDJIRDHF-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246774 718466901 /nfs/dbraw/zinc/46/69/01/718466901.db2.gz HCLVTXVBRWZOKY-ROUUACIJSA-N 2 0 331.504 2.646 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246772 718466940 /nfs/dbraw/zinc/46/69/40/718466940.db2.gz HCLVTXVBRWZOKY-QZTJIDSGSA-N 2 0 331.504 2.646 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258221 718474107 /nfs/dbraw/zinc/47/41/07/718474107.db2.gz DPQGGTPWXQRHRJ-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287816 718524848 /nfs/dbraw/zinc/52/48/48/718524848.db2.gz GVEBFQFGSPSRMB-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981270614 718583165 /nfs/dbraw/zinc/58/31/65/718583165.db2.gz JCNWQAJZGHJGAA-GJZGRUSLSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028092642 718708214 /nfs/dbraw/zinc/70/82/14/718708214.db2.gz BBDVPKIDGLNFQL-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028092645 718708265 /nfs/dbraw/zinc/70/82/65/718708265.db2.gz BBDVPKIDGLNFQL-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542237 718800278 /nfs/dbraw/zinc/80/02/78/718800278.db2.gz SOFFOFQCDHOATP-VQTJNVASSA-N 2 0 345.531 2.539 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460430 718913200 /nfs/dbraw/zinc/91/32/00/718913200.db2.gz IAISRANFXFQURG-GOEBONIOSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469451 718952250 /nfs/dbraw/zinc/95/22/50/718952250.db2.gz PHIXOXIPONGTAM-CVEARBPZSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474014 718961210 /nfs/dbraw/zinc/96/12/10/718961210.db2.gz IDJHRGUWTZNLBN-WBVHZDCISA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474012 718961221 /nfs/dbraw/zinc/96/12/21/718961221.db2.gz IDJHRGUWTZNLBN-NVXWUHKLSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486365 719001574 /nfs/dbraw/zinc/00/15/74/719001574.db2.gz UBYDGPQSUKUTRV-CVEARBPZSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981768093 719017312 /nfs/dbraw/zinc/01/73/12/719017312.db2.gz DSLPZTZRIHKQGB-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029921203 724554411 /nfs/dbraw/zinc/55/44/11/724554411.db2.gz SIEALBJNMRUTBD-WOJBJXKFSA-N 2 0 341.499 2.617 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025515707 719052294 /nfs/dbraw/zinc/05/22/94/719052294.db2.gz MNQXGPUFLIOSJQ-HOTGVXAUSA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981813983 719063191 /nfs/dbraw/zinc/06/31/91/719063191.db2.gz TWDUFRISPGESLZ-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528133 719071889 /nfs/dbraw/zinc/07/18/89/719071889.db2.gz QKCJLMPYOWQLAV-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861441 719140394 /nfs/dbraw/zinc/14/03/94/719140394.db2.gz RJBHWFFIXJDTOX-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583854 719165629 /nfs/dbraw/zinc/16/56/29/719165629.db2.gz CBGCYURIUPMXOX-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163457 719607494 /nfs/dbraw/zinc/60/74/94/719607494.db2.gz BRALUZVWKGMKJQ-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163541 719607624 /nfs/dbraw/zinc/60/76/24/719607624.db2.gz FKURKTXERZHUCT-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000985558696 724603708 /nfs/dbraw/zinc/60/37/08/724603708.db2.gz MGYUWATWRQAYMQ-UHFFFAOYSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982160667 719619762 /nfs/dbraw/zinc/61/97/62/719619762.db2.gz ATSABEXTJYKZOA-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985558982 724605791 /nfs/dbraw/zinc/60/57/91/724605791.db2.gz QAJATORXJBJLCN-KRWDZBQOSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279609 719788269 /nfs/dbraw/zinc/78/82/69/719788269.db2.gz AYUNSYHUEVTZAW-JYRKZWEQSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279894 719792306 /nfs/dbraw/zinc/79/23/06/719792306.db2.gz LWZYAQRWGHWRMX-IZZBFERCSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292656 719822256 /nfs/dbraw/zinc/82/22/56/719822256.db2.gz SKKSRCMDVQYVIC-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295788 719837594 /nfs/dbraw/zinc/83/75/94/719837594.db2.gz FFVYOOWOORYZON-KDURUIRLSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982402480 720016949 /nfs/dbraw/zinc/01/69/49/720016949.db2.gz PXEGLMRTSOWYCH-SESVDKBCSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]12 ZINC001026266316 720073852 /nfs/dbraw/zinc/07/38/52/720073852.db2.gz DTBFGECPNDEUHN-FGTMMUONSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]12 ZINC001026397559 720485172 /nfs/dbraw/zinc/48/51/72/720485172.db2.gz FUYNBXYTCVJSCG-VAMGGRTRSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]12 ZINC001026427870 720559804 /nfs/dbraw/zinc/55/98/04/720559804.db2.gz VHZZDRSICGNLGQ-VAMGGRTRSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000985593301 724691053 /nfs/dbraw/zinc/69/10/53/724691053.db2.gz JYDJDPFUXIPFEI-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001026565015 720755244 /nfs/dbraw/zinc/75/52/44/720755244.db2.gz QBADFZUASZKVAN-TUNPWDSISA-N 2 0 341.499 2.535 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001026610237 720820643 /nfs/dbraw/zinc/82/06/43/720820643.db2.gz IEWZKYKSTDMMLI-UYSNPLJNSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@]2(C)C1 ZINC000982618300 720953466 /nfs/dbraw/zinc/95/34/66/720953466.db2.gz UPBPPOVFDDBZMM-NRSPTQNISA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641516 721034010 /nfs/dbraw/zinc/03/40/10/721034010.db2.gz NVJAFEWPBJCKKZ-JYRKZWEQSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@]2(C)C1 ZINC000982724976 721131348 /nfs/dbraw/zinc/13/13/48/721131348.db2.gz HUSASABKNCQBOB-NRSPTQNISA-N 2 0 347.547 2.997 20 30 EFEDRP 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 ZINC000982725871 721131510 /nfs/dbraw/zinc/13/15/10/721131510.db2.gz PDCHWAQQPUWOJS-IZZBFERCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@]2(C)C1 ZINC000982774388 721169728 /nfs/dbraw/zinc/16/97/28/721169728.db2.gz MBPWNFLGWVQYPA-HBMCJLEFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831221 721302997 /nfs/dbraw/zinc/30/29/97/721302997.db2.gz JIRAOYGRQQKOOE-LFGUQSLTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831410 721304080 /nfs/dbraw/zinc/30/40/80/721304080.db2.gz KYORPRKPOZKFIV-GHSBBIOCSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982834355 721308302 /nfs/dbraw/zinc/30/83/02/721308302.db2.gz XMDHBZPLIFJFKX-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985645672 724750015 /nfs/dbraw/zinc/75/00/15/724750015.db2.gz BLGPDESOTFTUNN-LJQANCHMSA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974757324 721393295 /nfs/dbraw/zinc/39/32/95/721393295.db2.gz HQGZZDPHPYFDLO-ROUUACIJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862801 721484777 /nfs/dbraw/zinc/48/47/77/721484777.db2.gz LYEINZXIJTXGEB-IBGZPJMESA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000985687790 724797183 /nfs/dbraw/zinc/79/71/83/724797183.db2.gz XTJQKZIDDBRAIR-QGZVFWFLSA-N 2 0 341.927 2.925 20 30 EFEDRP C=C(Cl)CN1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919446 722096805 /nfs/dbraw/zinc/09/68/05/722096805.db2.gz XJUQRWOPEITJPA-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262997583 724830965 /nfs/dbraw/zinc/83/09/65/724830965.db2.gz WQNNQTDXRBJYGW-UHFFFAOYSA-N 2 0 346.475 2.697 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801462 723339572 /nfs/dbraw/zinc/33/95/72/723339572.db2.gz NHQBRJYAXLPVIE-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000939313799 728867160 /nfs/dbraw/zinc/86/71/60/728867160.db2.gz JDUNNWOLNFGYSV-CXAGYDPISA-N 2 0 335.879 2.551 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985752040 724857423 /nfs/dbraw/zinc/85/74/23/724857423.db2.gz QUSYAJRYWDCTNQ-DOTOQJQBSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985805873 724899532 /nfs/dbraw/zinc/89/95/32/724899532.db2.gz ZBZQGRZHMWAZAG-HUUCEWRRSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000986964653 724995333 /nfs/dbraw/zinc/99/53/33/724995333.db2.gz ZZQMJPLXZRQYKP-QAPCUYQASA-N 2 0 349.906 2.736 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009022 725459601 /nfs/dbraw/zinc/45/96/01/725459601.db2.gz FIOLDUJAUATEAY-QWFCFKBJSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992017329 725466128 /nfs/dbraw/zinc/46/61/28/725466128.db2.gz ZNEWJOWSSNCGCC-CMKODMSKSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992171903 725587088 /nfs/dbraw/zinc/58/70/88/725587088.db2.gz ZCYXUBPROCQXJC-FPOVZHCZSA-N 2 0 341.499 2.704 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@H]12 ZINC000992239040 725638367 /nfs/dbraw/zinc/63/83/67/725638367.db2.gz HSNZUZLBLRRQLQ-HBXLWWENSA-N 2 0 342.487 2.603 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992366606 725749560 /nfs/dbraw/zinc/74/95/60/725749560.db2.gz GDNOBKCEFOOGHG-ICSRJNTNSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000987607064 725778075 /nfs/dbraw/zinc/77/80/75/725778075.db2.gz XHNNHAUXOBTQIR-WBVHZDCISA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992508319 725911659 /nfs/dbraw/zinc/91/16/59/725911659.db2.gz LUKKDBDMGFXCRN-ICSRJNTNSA-N 2 0 327.472 2.661 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057311 725950315 /nfs/dbraw/zinc/95/03/15/725950315.db2.gz VJWKYUNGFKSSHB-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC000992740596 726153325 /nfs/dbraw/zinc/15/33/25/726153325.db2.gz LYIZMLPVTHGOSE-NZSAHSFTSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC000992740604 726153396 /nfs/dbraw/zinc/15/33/96/726153396.db2.gz LYIZMLPVTHGOSE-YTQUADARSA-N 2 0 338.455 2.741 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC000992747772 726164553 /nfs/dbraw/zinc/16/45/53/726164553.db2.gz ZNJYJHMFZJDJAW-AYOQOUSVSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC000992781279 726210045 /nfs/dbraw/zinc/21/00/45/726210045.db2.gz VGVSBJIEOMWMCG-FGTMMUONSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC000992781304 726210320 /nfs/dbraw/zinc/21/03/20/726210320.db2.gz VGVSBJIEOMWMCG-RCCFBDPRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199977 726237957 /nfs/dbraw/zinc/23/79/57/726237957.db2.gz DIOYOXXKMMVXDL-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC000992864526 726302673 /nfs/dbraw/zinc/30/26/73/726302673.db2.gz YQXNKMHZEFYHKI-KBAYOESNSA-N 2 0 342.487 2.554 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC000992926435 726342539 /nfs/dbraw/zinc/34/25/39/726342539.db2.gz OFZMULDALDYDAN-VAMGGRTRSA-N 2 0 341.499 2.765 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC000992926433 726342653 /nfs/dbraw/zinc/34/26/53/726342653.db2.gz OFZMULDALDYDAN-SLFFLAALSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC000992931147 726345716 /nfs/dbraw/zinc/34/57/16/726345716.db2.gz NGNNALMYQSKNSU-CEXWTWQISA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993621302 727329394 /nfs/dbraw/zinc/32/93/94/727329394.db2.gz JTXYFFLMQPUUEC-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993804537 727526758 /nfs/dbraw/zinc/52/67/58/727526758.db2.gz LCOZKFJLICEJMP-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012636 727580003 /nfs/dbraw/zinc/58/00/03/727580003.db2.gz VWOMLYFCWICMIV-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994469450 727762775 /nfs/dbraw/zinc/76/27/75/727762775.db2.gz JIKXNVRTZZXMKU-FUHWJXTLSA-N 2 0 345.487 2.727 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994503350 727772817 /nfs/dbraw/zinc/77/28/17/727772817.db2.gz VHXDRASYZLPVDV-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102489 728297409 /nfs/dbraw/zinc/29/74/09/728297409.db2.gz ZNVMWIKUAKEJEQ-GDBMZVCRSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918935 728360079 /nfs/dbraw/zinc/36/00/79/728360079.db2.gz XDMYNKWQAOFPRH-LJQANCHMSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765618 728364331 /nfs/dbraw/zinc/36/43/31/728364331.db2.gz ABEYDTXPJJBEID-LPHOPBHVSA-N 2 0 339.499 2.698 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829347 728530786 /nfs/dbraw/zinc/53/07/86/728530786.db2.gz LAAQCRIIUKUKBM-OALUTQOASA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000939835301 729148756 /nfs/dbraw/zinc/14/87/56/729148756.db2.gz DNAIFCIVOQFWNQ-NVXWUHKLSA-N 2 0 333.476 2.748 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070499 729474857 /nfs/dbraw/zinc/47/48/57/729474857.db2.gz PXWUQGZCFHZZAR-YLJYHZDGSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070497 729475309 /nfs/dbraw/zinc/47/53/09/729475309.db2.gz PXWUQGZCFHZZAR-XLIONFOSSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047263270 729527380 /nfs/dbraw/zinc/52/73/80/729527380.db2.gz DQSIJAQZUUQXIK-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000180032498 729670727 /nfs/dbraw/zinc/67/07/27/729670727.db2.gz SIQWNZTUBOXOCN-INIZCTEOSA-N 2 0 345.487 2.634 20 30 EFEDRP C#CC[C@@]1(C(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)CCC[NH2+]1 ZINC001574516928 1088018671 /nfs/dbraw/zinc/01/86/71/1088018671.db2.gz KGBICFBCPZKZJO-CTNGQTDRSA-N 2 0 341.499 2.721 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849780 1088117728 /nfs/dbraw/zinc/11/77/28/1088117728.db2.gz QUTMHMMOCFHDNW-MSOLQXFVSA-N 2 0 349.906 2.968 20 30 EFEDRP C=CC[C@]1(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC001574888358 1088138638 /nfs/dbraw/zinc/13/86/38/1088138638.db2.gz COWVGBLMFYYSKI-TZIWHRDSSA-N 2 0 341.499 2.808 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574902025 1088145097 /nfs/dbraw/zinc/14/50/97/1088145097.db2.gz ZDEPVUHIQVSMBJ-OALUTQOASA-N 2 0 329.488 2.793 20 30 EFEDRP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001579554315 1090632268 /nfs/dbraw/zinc/63/22/68/1090632268.db2.gz SULKPERHEDCBHA-UHFFFAOYSA-N 2 0 348.494 2.870 20 30 EFEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580049132 1090754455 /nfs/dbraw/zinc/75/44/55/1090754455.db2.gz IJCYUURSAWMIMN-SFHVURJKSA-N 2 0 334.508 2.512 20 30 EFEDRP N#Cc1cccc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC001580076500 1090764739 /nfs/dbraw/zinc/76/47/39/1090764739.db2.gz YVJFZOPVOCQCAA-JLYLLQBASA-N 2 0 325.456 2.684 20 30 EFEDRP N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC001580078277 1090765892 /nfs/dbraw/zinc/76/58/92/1090765892.db2.gz SCAKLOBLYNNOOC-SXLOBPIMSA-N 2 0 343.471 2.688 20 30 EFEDRP N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC001580078275 1090766052 /nfs/dbraw/zinc/76/60/52/1090766052.db2.gz SCAKLOBLYNNOOC-MISYRCLQSA-N 2 0 343.471 2.688 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454275 1093044278 /nfs/dbraw/zinc/04/42/78/1093044278.db2.gz PEZVJEXEEKZXSJ-AZUAARDMSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104450503 1093288591 /nfs/dbraw/zinc/28/85/91/1093288591.db2.gz AYUGIMKNDPUNKW-RLLQIKCJSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104451190 1093291371 /nfs/dbraw/zinc/29/13/71/1093291371.db2.gz UHHYDEHTNFVFOI-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104451191 1093291565 /nfs/dbraw/zinc/29/15/65/1093291565.db2.gz UHHYDEHTNFVFOI-QRQLOZEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461461 1093318894 /nfs/dbraw/zinc/31/88/94/1093318894.db2.gz HVELORPUXYXSHE-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211620602 1094363079 /nfs/dbraw/zinc/36/30/79/1094363079.db2.gz WGJGJJXRWAIOMI-ZCNNSNEGSA-N 2 0 343.515 2.733 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211623994 1094402130 /nfs/dbraw/zinc/40/21/30/1094402130.db2.gz YHIKHSHVMNXNEV-XUVXKRRUSA-N 2 0 343.515 2.877 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@H]21 ZINC001087293157 1095023601 /nfs/dbraw/zinc/02/36/01/1095023601.db2.gz ZGEFLMKLIKDHRE-JLSDUUJJSA-N 2 0 338.455 2.968 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531606 1095087907 /nfs/dbraw/zinc/08/79/07/1095087907.db2.gz HQWAKLXBYUXUBO-PXNSSMCTSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421019 1095119351 /nfs/dbraw/zinc/11/93/51/1095119351.db2.gz YSTNHPOYDSPNCW-HUUCEWRRSA-N 2 0 341.927 2.734 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307116 1095195741 /nfs/dbraw/zinc/19/57/41/1095195741.db2.gz UICOPCYIGXLROI-HOJAQTOUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825671 1095212741 /nfs/dbraw/zinc/21/27/41/1095212741.db2.gz SKUOXMRIHOTPNH-ICSRJNTNSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@H]21 ZINC001087309718 1095234707 /nfs/dbraw/zinc/23/47/07/1095234707.db2.gz KTELEVLPSVQNDR-JLSDUUJJSA-N 2 0 330.476 2.524 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001167694055 1095622429 /nfs/dbraw/zinc/62/24/29/1095622429.db2.gz BKKWVWFUKLVPJU-GOSISDBHSA-N 2 0 333.520 2.540 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754944 1095712275 /nfs/dbraw/zinc/71/22/75/1095712275.db2.gz KRJKRFJZXCBKNZ-RHSMWYFYSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167699364 1096004163 /nfs/dbraw/zinc/00/41/63/1096004163.db2.gz JGCKKNUJGKWFKU-LJQANCHMSA-N 2 0 329.488 2.526 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729820 1096608663 /nfs/dbraw/zinc/60/86/63/1096608663.db2.gz KAOODMDXBDRBHK-ZWKOTPCHSA-N 2 0 349.906 2.663 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001482224127 1098183787 /nfs/dbraw/zinc/18/37/87/1098183787.db2.gz XFUAYBZZCANXPH-MRXNPFEDSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001482229595 1098218773 /nfs/dbraw/zinc/21/87/73/1098218773.db2.gz DPJFALWARJKOKP-UHFFFAOYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001269584472 1098269047 /nfs/dbraw/zinc/26/90/47/1098269047.db2.gz YNCBLPQWECNYLM-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001482242465 1098440791 /nfs/dbraw/zinc/44/07/91/1098440791.db2.gz APCLGGZDXOYMHP-GOSISDBHSA-N 2 0 335.536 2.975 20 30 EFEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000695865399 1098817695 /nfs/dbraw/zinc/81/76/95/1098817695.db2.gz TVZJVXNIZLFDID-SFHVURJKSA-N 2 0 328.504 2.722 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1C ZINC001104908889 1098981735 /nfs/dbraw/zinc/98/17/35/1098981735.db2.gz OWOOPVQQKYTCJL-TZMCWYRMSA-N 2 0 338.883 2.514 20 30 EFEDRP N#Cc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167974314 1099353262 /nfs/dbraw/zinc/35/32/62/1099353262.db2.gz VPZQKBAMQLXLAH-YQQQUEKLSA-N 2 0 325.456 2.932 20 30 EFEDRP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010384 1099356708 /nfs/dbraw/zinc/35/67/08/1099356708.db2.gz JFTBDLLFWNMXAB-QRVBRYPASA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001105024618 1099405263 /nfs/dbraw/zinc/40/52/63/1099405263.db2.gz BVSKHVAFDJABLQ-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669288 1099494411 /nfs/dbraw/zinc/49/44/11/1099494411.db2.gz RZBXUNBWZZMJCZ-YZGWKJHDSA-N 2 0 343.515 2.877 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058731 1099505662 /nfs/dbraw/zinc/50/56/62/1099505662.db2.gz UNWYTPIYHQKYOS-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742711 1099507503 /nfs/dbraw/zinc/50/75/03/1099507503.db2.gz UNCSRBROZCMALH-QZTJIDSGSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676064 1099781091 /nfs/dbraw/zinc/78/10/91/1099781091.db2.gz BDLUILFMUIZUMU-RBUKOAKNSA-N 2 0 343.515 2.735 20 30 EFEDRP CCOC(=O)C1(C#N)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002073 1099957622 /nfs/dbraw/zinc/95/76/22/1099957622.db2.gz DBISFPKPXCOGAH-JWTNVVGKSA-N 2 0 345.487 2.561 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793382 1100041185 /nfs/dbraw/zinc/04/11/85/1100041185.db2.gz AUNVUWQONONZKE-CMKODMSKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164773 1100487307 /nfs/dbraw/zinc/48/73/07/1100487307.db2.gz QXAAUKXUHKALNO-KFWWJZLASA-N 2 0 349.441 2.662 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573101 1100540884 /nfs/dbraw/zinc/54/08/84/1100540884.db2.gz UABZKLYEOXKIJU-YSIASYRMSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602558 1100580070 /nfs/dbraw/zinc/58/00/70/1100580070.db2.gz UNMBUSDHNSYPGG-OTWHNJEPSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728281 1100706508 /nfs/dbraw/zinc/70/65/08/1100706508.db2.gz OCCGWPFUGARMIM-VQTJNVASSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088020168 1101205766 /nfs/dbraw/zinc/20/57/66/1101205766.db2.gz XFHPYVFDRYTXMO-SJORKVTESA-N 2 0 338.455 2.613 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053216 1101251126 /nfs/dbraw/zinc/25/11/26/1101251126.db2.gz ZCKOYISYNUYHIP-HSALFYBXSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104312502 1101588756 /nfs/dbraw/zinc/58/87/56/1101588756.db2.gz GAORYZFNAPCSAZ-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129810 1101623086 /nfs/dbraw/zinc/62/30/86/1101623086.db2.gz HKHMRAWSFGARQG-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166680 1101728546 /nfs/dbraw/zinc/72/85/46/1101728546.db2.gz NHNKOZDNGKAPNP-AABGKKOBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167437981 1101737571 /nfs/dbraw/zinc/73/75/71/1101737571.db2.gz LCYBYJOGGXCNCY-HOTGVXAUSA-N 2 0 339.911 2.632 20 30 EFEDRP C=CCCCCC[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000840830593 1101765458 /nfs/dbraw/zinc/76/54/58/1101765458.db2.gz HTINKNQELLWVAP-IBGZPJMESA-N 2 0 337.552 2.898 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232533 1102098124 /nfs/dbraw/zinc/09/81/24/1102098124.db2.gz GJPXZXLMPWHERI-LJQANCHMSA-N 2 0 339.499 2.651 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240333 1102125768 /nfs/dbraw/zinc/12/57/68/1102125768.db2.gz JFSZNZGGTFKAKM-KRWDZBQOSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001482497312 1102350816 /nfs/dbraw/zinc/35/08/16/1102350816.db2.gz DHLCFBBHLFNREW-GOEBONIOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000073436925 1102394644 /nfs/dbraw/zinc/39/46/44/1102394644.db2.gz LFFBDBNTNMCLBH-HXUWFJFHSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1C ZINC001104274254 1102430983 /nfs/dbraw/zinc/43/09/83/1102430983.db2.gz KHDJHPMANYZYDF-IXDOHACOSA-N 2 0 332.492 2.771 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385141 1102761260 /nfs/dbraw/zinc/76/12/60/1102761260.db2.gz DQGGBIWUYNXRNL-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385405 1102762305 /nfs/dbraw/zinc/76/23/05/1102762305.db2.gz UMHAULKIGDHVBM-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039213463 1102776084 /nfs/dbraw/zinc/77/60/84/1102776084.db2.gz KDGBGCDMLCTJKN-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291587 1102856333 /nfs/dbraw/zinc/85/63/33/1102856333.db2.gz PJFWMJSKUBWJSZ-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001088324974 1102925201 /nfs/dbraw/zinc/92/52/01/1102925201.db2.gz DYRHHLSCFOSKDM-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367238 1103193653 /nfs/dbraw/zinc/19/36/53/1103193653.db2.gz FRRATEZCBRFKIA-ICSRJNTNSA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375674 1103233015 /nfs/dbraw/zinc/23/30/15/1103233015.db2.gz NCYLVSIZRBBJJP-JKSUJKDBSA-N 2 0 329.916 2.686 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991065332 1103369660 /nfs/dbraw/zinc/36/96/60/1103369660.db2.gz FKRCHUJTAUCLEG-CMKODMSKSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168372833 1103372879 /nfs/dbraw/zinc/37/28/79/1103372879.db2.gz LMUILCIWEKQTFJ-UHFFFAOYSA-N 2 0 347.503 2.581 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001088393324 1103401329 /nfs/dbraw/zinc/40/13/29/1103401329.db2.gz BGGOXMRFVZQZPL-QGZVFWFLSA-N 2 0 341.927 2.832 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001088411441 1103483468 /nfs/dbraw/zinc/48/34/68/1103483468.db2.gz HDSRYQYEQQBTCH-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001088432968 1103597638 /nfs/dbraw/zinc/59/76/38/1103597638.db2.gz JGPDPJCHWRIEBY-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001105435435 1104010669 /nfs/dbraw/zinc/01/06/69/1104010669.db2.gz NRAWZWATPSAIKJ-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378212 1104115981 /nfs/dbraw/zinc/11/59/81/1104115981.db2.gz RHXIYLZHOJKBMY-NRFANRHFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378562 1104118941 /nfs/dbraw/zinc/11/89/41/1104118941.db2.gz WLNVRCFEJDWTJX-SFTDATJTSA-N 2 0 348.531 2.935 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379704 1104131995 /nfs/dbraw/zinc/13/19/95/1104131995.db2.gz ODFWQGAPNXNVDK-VQTJNVASSA-N 2 0 334.504 2.687 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001105447383 1104213926 /nfs/dbraw/zinc/21/39/26/1104213926.db2.gz DSZZUADTPQNQJL-TYKWCNGQSA-N 2 0 343.515 2.709 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428230 1104538191 /nfs/dbraw/zinc/53/81/91/1104538191.db2.gz XFEPWLAAQWWKMA-SJORKVTESA-N 2 0 335.536 2.948 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001665463146 1104699913 /nfs/dbraw/zinc/69/99/13/1104699913.db2.gz UCYGBEKHVWOLOB-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001672183608 1105768075 /nfs/dbraw/zinc/76/80/75/1105768075.db2.gz PMGGZKONVOIKNM-IBGZPJMESA-N 2 0 341.499 2.668 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539549 1105910212 /nfs/dbraw/zinc/91/02/12/1105910212.db2.gz JPIKUAIBPVLERF-MOPGFXCFSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105540021 1105910953 /nfs/dbraw/zinc/91/09/53/1105910953.db2.gz WXWQLXLIEDMHEK-KURKYZTESA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001105540022 1105911009 /nfs/dbraw/zinc/91/10/09/1105911009.db2.gz WXWQLXLIEDMHEK-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544637 1105922589 /nfs/dbraw/zinc/92/25/89/1105922589.db2.gz OYKCUYOOGRQIQY-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](CC)[NH+](CC)CC)CCC1 ZINC001105561787 1105939864 /nfs/dbraw/zinc/93/98/64/1105939864.db2.gz RICUSXKZMNCAGY-MOPGFXCFSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576554 1105964601 /nfs/dbraw/zinc/96/46/01/1105964601.db2.gz HFJOZZWOAUSBSI-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576895 1105965325 /nfs/dbraw/zinc/96/53/25/1105965325.db2.gz NTIPIRZKUZUVPE-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)CCC1 ZINC001105578953 1105973338 /nfs/dbraw/zinc/97/33/38/1105973338.db2.gz IKCPUVGWYNWUGJ-LJQANCHMSA-N 2 0 345.531 2.637 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989448729 1106177189 /nfs/dbraw/zinc/17/71/89/1106177189.db2.gz WUPUHOGIBMVPJC-LPHOPBHVSA-N 2 0 329.488 2.559 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@H](C)CCC=C)CC2)CC1 ZINC001168308435 1106528761 /nfs/dbraw/zinc/52/87/61/1106528761.db2.gz REYHKLHKSCXCQU-GOSISDBHSA-N 2 0 345.531 2.562 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000989845713 1106709931 /nfs/dbraw/zinc/70/99/31/1106709931.db2.gz YROOAJNKNKJRJV-JKSUJKDBSA-N 2 0 333.476 2.890 20 30 EFEDRP C[NH+](C)C1CCC([NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001168326944 1106875560 /nfs/dbraw/zinc/87/55/60/1106875560.db2.gz FWBGVQWRKHIIGY-UHFFFAOYSA-N 2 0 330.451 2.692 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335905 1107169484 /nfs/dbraw/zinc/16/94/84/1107169484.db2.gz ZJAUCBAJTDRKHH-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335700 1107180854 /nfs/dbraw/zinc/18/08/54/1107180854.db2.gz QUABWYFQFSQPHK-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070490 1107405867 /nfs/dbraw/zinc/40/58/67/1107405867.db2.gz IBDLJBZDJZEYDZ-WBVHZDCISA-N 2 0 333.476 2.890 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040393363 1108333539 /nfs/dbraw/zinc/33/35/39/1108333539.db2.gz AZBRIISYRYXSPF-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133236 1108523302 /nfs/dbraw/zinc/52/33/02/1108523302.db2.gz HJCQYBUIPRUHAA-CEXWTWQISA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149649 1108657019 /nfs/dbraw/zinc/65/70/19/1108657019.db2.gz PSMBLFUZBPPCGE-NCXUSEDFSA-N 2 0 335.536 2.757 20 30 EFEDRP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000924722986 1108869852 /nfs/dbraw/zinc/86/98/52/1108869852.db2.gz PULOPRULXSKOBV-QGZVFWFLSA-N 2 0 328.504 2.852 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106245816 1111212881 /nfs/dbraw/zinc/21/28/81/1111212881.db2.gz DXHHXXPMDWYAJQ-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255618 1111233365 /nfs/dbraw/zinc/23/33/65/1111233365.db2.gz ASTWXLSRNZEVFT-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229253 1111564050 /nfs/dbraw/zinc/56/40/50/1111564050.db2.gz ICMLIISLKLXSAO-ZWKOTPCHSA-N 2 0 335.536 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106477417 1111567937 /nfs/dbraw/zinc/56/79/37/1111567937.db2.gz LSFFPFXZLSRIAV-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571397 1111638537 /nfs/dbraw/zinc/63/85/37/1111638537.db2.gz YMZLDXKFZVJKAT-HYVNUMGLSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730723 1111775247 /nfs/dbraw/zinc/77/52/47/1111775247.db2.gz MRWNNMOIWSLCSK-ZIFCJYIRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001106765591 1111811781 /nfs/dbraw/zinc/81/17/81/1111811781.db2.gz KEGHSRXWZQMAOQ-SJLPKXTDSA-N 2 0 332.492 2.622 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862586 1111921772 /nfs/dbraw/zinc/92/17/72/1111921772.db2.gz KPAWILKZKZONJZ-DBXWQHBBSA-N 2 0 343.515 2.724 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862372 1111921779 /nfs/dbraw/zinc/92/17/79/1111921779.db2.gz BYZBKLIDBLHNEU-OPYAIIAOSA-N 2 0 343.515 2.724 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001106865941 1111928955 /nfs/dbraw/zinc/92/89/55/1111928955.db2.gz SQXYLTVYXDRUPS-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106866208 1111929097 /nfs/dbraw/zinc/92/90/97/1111929097.db2.gz ZWMWKSPDYRKDEE-BHIYHBOVSA-N 2 0 329.488 2.550 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386302 1112049464 /nfs/dbraw/zinc/04/94/64/1112049464.db2.gz OHKOKHJPEXABHN-QZTJIDSGSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392043 1112058174 /nfs/dbraw/zinc/05/81/74/1112058174.db2.gz RFSZVDVRRSLYFK-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425960 1112115398 /nfs/dbraw/zinc/11/53/98/1112115398.db2.gz GHWQPWGVRBJVER-ZWKOTPCHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425955 1112115613 /nfs/dbraw/zinc/11/56/13/1112115613.db2.gz GHWQPWGVRBJVER-QZTJIDSGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445621 1112158143 /nfs/dbraw/zinc/15/81/43/1112158143.db2.gz KPUYANRGJPALRA-QZTJIDSGSA-N 2 0 333.520 2.654 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511253 1112255457 /nfs/dbraw/zinc/25/54/57/1112255457.db2.gz OYAGIMOWQAIVQB-RBUKOAKNSA-N 2 0 347.547 2.879 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527420 1112270803 /nfs/dbraw/zinc/27/08/03/1112270803.db2.gz PBHKDGRVEQNXQW-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534039 1112280119 /nfs/dbraw/zinc/28/01/19/1112280119.db2.gz NBYRBBWECNLACV-LJQANCHMSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565630 1112318311 /nfs/dbraw/zinc/31/83/11/1112318311.db2.gz UYQKNXPUGFSHGK-GOSISDBHSA-N 2 0 341.499 2.602 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650080 1112475051 /nfs/dbraw/zinc/47/50/51/1112475051.db2.gz UFKDSXJQKUGCOU-OALUTQOASA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089710625 1112904610 /nfs/dbraw/zinc/90/46/10/1112904610.db2.gz LFXUPCNYOUVRFN-LJQANCHMSA-N 2 0 341.499 2.602 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718152 1112928718 /nfs/dbraw/zinc/92/87/18/1112928718.db2.gz LHITVCSVISWVFH-LJQANCHMSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001484830223 1117748477 /nfs/dbraw/zinc/74/84/77/1117748477.db2.gz NXYXWXZUTYISNF-UYAOXDASSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089821639 1117924177 /nfs/dbraw/zinc/92/41/77/1117924177.db2.gz WPGCTPSSEBXFFG-NBYUQASBSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCCC[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001272701135 1118619398 /nfs/dbraw/zinc/61/93/98/1118619398.db2.gz CTGQJOKXCUWGEV-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCCCCCC[N@@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001272703088 1118685840 /nfs/dbraw/zinc/68/58/40/1118685840.db2.gz YZPFSHVSLAQKPY-FQEVSTJZSA-N 2 0 344.503 2.944 20 30 EFEDRP C=CCCCCCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272710428 1118779531 /nfs/dbraw/zinc/77/95/31/1118779531.db2.gz WVRGAMSSXKXABD-FQEVSTJZSA-N 2 0 335.536 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581433 1118989578 /nfs/dbraw/zinc/98/95/78/1118989578.db2.gz GQUCUGYJQXMETL-DOTOQJQBSA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942722890 1119086600 /nfs/dbraw/zinc/08/66/00/1119086600.db2.gz PQNGBDQAYXSGFI-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943875588 1119766288 /nfs/dbraw/zinc/76/62/88/1119766288.db2.gz FBQUSAKFGMGYPL-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875570 1119766310 /nfs/dbraw/zinc/76/63/10/1119766310.db2.gz DTGHDUHETSWDRC-QFBILLFUSA-N 2 0 338.455 2.889 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047089 1119894322 /nfs/dbraw/zinc/89/43/22/1119894322.db2.gz NTCOTYWIPJGIAI-FXAWDEMLSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037391 1120033694 /nfs/dbraw/zinc/03/36/94/1120033694.db2.gz CDRQZQSPDGFZPQ-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001032219007 1120333387 /nfs/dbraw/zinc/33/33/87/1120333387.db2.gz IXMNSGBJPYVOMS-UHFFFAOYSA-N 2 0 333.476 2.749 20 30 EFEDRP N#Cc1cccc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173945161 231075830 /nfs/dbraw/zinc/07/58/30/231075830.db2.gz QGEPFEJOHISLIA-UHFFFAOYSA-N 2 0 343.471 2.514 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171409372 530039581 /nfs/dbraw/zinc/03/95/81/530039581.db2.gz ZGBRUKLHFSNMPG-UHFFFAOYSA-N 2 0 326.444 2.741 20 30 EFEDRP C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262374514 240349083 /nfs/dbraw/zinc/34/90/83/240349083.db2.gz JFXJLKRXSVXRAW-BGVWBIDGSA-N 2 0 340.515 2.798 20 30 EFEDRP C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262374520 240349580 /nfs/dbraw/zinc/34/95/80/240349580.db2.gz JFXJLKRXSVXRAW-NWJVMNJYSA-N 2 0 340.515 2.798 20 30 EFEDRP C[NH+]=C(NC1CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262482542 240356409 /nfs/dbraw/zinc/35/64/09/240356409.db2.gz RUUMAWFNQOHFRO-FQEVSTJZSA-N 2 0 326.488 2.712 20 30 EFEDRP C[C@@H]1C[NH+](CC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000191984163 240016858 /nfs/dbraw/zinc/01/68/58/240016858.db2.gz ZCPRYPXKVBRSTM-RTBURBONSA-N 2 0 326.484 2.859 20 30 EFEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277315 240092542 /nfs/dbraw/zinc/09/25/42/240092542.db2.gz DAAGJEBNWNBPPJ-LSTHTHJFSA-N 2 0 327.472 2.815 20 30 EFEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000247247354 240278470 /nfs/dbraw/zinc/27/84/70/240278470.db2.gz PGUCODBBIAAXTE-RXVVDRJESA-N 2 0 344.499 2.925 20 30 EFEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCSC(C)(C)C1 ZINC000261747431 240321762 /nfs/dbraw/zinc/32/17/62/240321762.db2.gz BWXYMZSJEYQYLZ-OAHLLOKOSA-N 2 0 326.554 2.510 20 30 EFEDRP C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261936705 240329250 /nfs/dbraw/zinc/32/92/50/240329250.db2.gz CRINEPFXJGVLFW-CXAGYDPISA-N 2 0 340.471 2.889 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000262018515 240342248 /nfs/dbraw/zinc/34/22/48/240342248.db2.gz WWFQOFWDPDGHRU-HUUCEWRRSA-N 2 0 346.475 2.695 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CCCCS1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262232566 240344382 /nfs/dbraw/zinc/34/43/82/240344382.db2.gz MMFBYUIQUBJWKL-SFHVURJKSA-N 2 0 346.544 2.841 20 30 EFEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC[C@@H](C)C1 ZINC000262826257 240371661 /nfs/dbraw/zinc/37/16/61/240371661.db2.gz ZRUFFHAEIBAQQI-MRXNPFEDSA-N 2 0 338.540 2.573 20 30 EFEDRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264128591 240409573 /nfs/dbraw/zinc/40/95/73/240409573.db2.gz SRIDJPATZFAIDR-UHFFFAOYSA-N 2 0 330.354 2.798 20 30 EFEDRP C(=[NH+]/OCCC[NH+]1CCCCC1)\c1ccc(N2CCOCC2)cc1 ZINC000288428221 241012143 /nfs/dbraw/zinc/01/21/43/241012143.db2.gz DCPVPSCNXVFCOT-LVZFUZTISA-N 2 0 331.460 2.750 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000297040693 241107149 /nfs/dbraw/zinc/10/71/49/241107149.db2.gz MNLUOBXLDAMIQR-XVLXNVKGSA-N 2 0 348.535 2.609 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354543656 242004557 /nfs/dbraw/zinc/00/45/57/242004557.db2.gz XWKFINNMQGCBGD-YZGWKJHDSA-N 2 0 346.515 2.959 20 30 EFEDRP C=CCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414345870 244097797 /nfs/dbraw/zinc/09/77/97/244097797.db2.gz UAMIXEXGGNKSNS-INIZCTEOSA-N 2 0 329.488 2.828 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442711192 250106552 /nfs/dbraw/zinc/10/65/52/250106552.db2.gz RPTPAWGPWUUQQV-PMACEKPBSA-N 2 0 326.488 2.606 20 30 EFEDRP N#C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442778108 250116158 /nfs/dbraw/zinc/11/61/58/250116158.db2.gz JYFDFRLGGBUBFA-OALUTQOASA-N 2 0 326.488 2.871 20 30 EFEDRP C=CCOc1cccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1 ZINC000449756026 251143069 /nfs/dbraw/zinc/14/30/69/251143069.db2.gz VFRMCPUHMKQNFE-UHFFFAOYSA-N 2 0 331.504 2.757 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000181456062 533446970 /nfs/dbraw/zinc/44/69/70/533446970.db2.gz APCCUDCDGAYZIF-MRXNPFEDSA-N 2 0 335.455 2.556 20 30 EFEDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000174315878 533660778 /nfs/dbraw/zinc/66/07/78/533660778.db2.gz NAHQUOVUCYVTNK-HOTGVXAUSA-N 2 0 331.460 2.546 20 30 EFEDRP COc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000174315891 533661280 /nfs/dbraw/zinc/66/12/80/533661280.db2.gz NAHQUOVUCYVTNK-HZPDHXFCSA-N 2 0 331.460 2.546 20 30 EFEDRP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344088592 145365654 /nfs/dbraw/zinc/36/56/54/145365654.db2.gz APFIEPHPYSKRTR-QGZVFWFLSA-N 2 0 328.504 2.843 20 30 EFEDRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353500640 146496240 /nfs/dbraw/zinc/49/62/40/146496240.db2.gz GMOSBHZCKQJSRK-GOSISDBHSA-N 2 0 326.488 2.849 20 30 EFEDRP COc1ccc(C#N)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368445533 150119908 /nfs/dbraw/zinc/11/99/08/150119908.db2.gz LFEJCUAYBHDZHC-UHFFFAOYSA-N 2 0 343.471 2.501 20 30 EFEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891516 287131426 /nfs/dbraw/zinc/13/14/26/287131426.db2.gz YPIQHAQZUNKZPZ-FUHIMQAGSA-N 2 0 326.488 2.577 20 30 EFEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123566255 222297976 /nfs/dbraw/zinc/29/79/76/222297976.db2.gz PUHUEWVMMSFGEB-UHFFFAOYSA-N 2 0 345.487 2.999 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423462854 270028131 /nfs/dbraw/zinc/02/81/31/270028131.db2.gz FFFOBHJYFKZGCD-MOPGFXCFSA-N 2 0 326.488 2.630 20 30 EFEDRP Cn1cc(CN2CCC[C@H]([NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000277131457 267118994 /nfs/dbraw/zinc/11/89/94/267118994.db2.gz IMXIBIYHQIUDMD-IBGZPJMESA-N 2 0 337.471 2.875 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850136 267179277 /nfs/dbraw/zinc/17/92/77/267179277.db2.gz IOONTUKDGPXEFZ-BEVDRBHNSA-N 2 0 327.472 2.977 20 30 EFEDRP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277766537 267256500 /nfs/dbraw/zinc/25/65/00/267256500.db2.gz MRPBUUQMIZRXDT-MRXNPFEDSA-N 2 0 332.879 2.818 20 30 EFEDRP N#Cc1ccc(OC2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000271547713 268165024 /nfs/dbraw/zinc/16/50/24/268165024.db2.gz RTZQHOAOWDMVSZ-YBXZHIRMSA-N 2 0 340.471 2.860 20 30 EFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286166008 274146206 /nfs/dbraw/zinc/14/62/06/274146206.db2.gz QDRYWWGSRNJADU-GOSISDBHSA-N 2 0 326.488 2.849 20 30 EFEDRP CC[NH+]1CCC(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304744757 276148865 /nfs/dbraw/zinc/14/88/65/276148865.db2.gz DTTGKXKOJODOCN-KRWDZBQOSA-N 2 0 330.476 2.537 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185782216 276196816 /nfs/dbraw/zinc/19/68/16/276196816.db2.gz NWNVBBBTDGFPTC-RXVVDRJESA-N 2 0 340.515 2.996 20 30 EFEDRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1COc2ccccc21 ZINC000329649052 278252759 /nfs/dbraw/zinc/25/27/59/278252759.db2.gz BSBPNNOCQYZVLO-KBXCAEBGSA-N 2 0 343.471 2.724 20 30 EFEDRP N#Cc1csc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177681510 310775949 /nfs/dbraw/zinc/77/59/49/310775949.db2.gz WAAFRURNHLFNRD-UHFFFAOYSA-N 2 0 340.496 2.527 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CC2 ZINC000554981604 318342414 /nfs/dbraw/zinc/34/24/14/318342414.db2.gz DTKILKFHLQBQSS-AQNXPRMDSA-N 2 0 325.456 2.513 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083030188 473314487 /nfs/dbraw/zinc/31/44/87/473314487.db2.gz PAWDYSLQYABYNV-DOTOQJQBSA-N 2 0 330.476 2.679 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000083031526 473316442 /nfs/dbraw/zinc/31/64/42/473316442.db2.gz JOMCELUAHARSOO-HLLBOEOZSA-N 2 0 330.476 2.535 20 30 EFEDRP C#CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067453080 472036045 /nfs/dbraw/zinc/03/60/45/472036045.db2.gz KARVMBVDODEKTN-QZTJIDSGSA-N 2 0 330.472 2.678 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116430437 472406924 /nfs/dbraw/zinc/40/69/24/472406924.db2.gz ZHWLEUVIDMHBBV-QGZVFWFLSA-N 2 0 338.540 2.693 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776063 472608579 /nfs/dbraw/zinc/60/85/79/472608579.db2.gz CKTUSEMUSJQOFS-RTBURBONSA-N 2 0 348.535 2.565 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000120232924 472653983 /nfs/dbraw/zinc/65/39/83/472653983.db2.gz BFRSSAHQFIDGSH-SJORKVTESA-N 2 0 329.488 2.699 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000104192966 472661449 /nfs/dbraw/zinc/66/14/49/472661449.db2.gz BFHSNCAXUZFUNP-SNVBAGLBSA-N 2 0 330.354 2.795 20 30 EFEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000157393798 472815298 /nfs/dbraw/zinc/81/52/98/472815298.db2.gz OBCOHJOMQYZGKF-SJLPKXTDSA-N 2 0 344.503 2.783 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000106265250 472836678 /nfs/dbraw/zinc/83/66/78/472836678.db2.gz FYYBQUIRGUTJFG-UHFFFAOYSA-N 2 0 336.524 2.589 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000079303766 472847019 /nfs/dbraw/zinc/84/70/19/472847019.db2.gz NXVBLWQDZQILEI-SJORKVTESA-N 2 0 329.488 2.841 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762215 472870409 /nfs/dbraw/zinc/87/04/09/472870409.db2.gz POGDUBUEPNXADQ-HNNXBMFYSA-N 2 0 334.895 2.832 20 30 EFEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562867 472889210 /nfs/dbraw/zinc/88/92/10/472889210.db2.gz QTNNMUCMXYZBSZ-UHFFFAOYSA-N 2 0 333.520 2.775 20 30 EFEDRP C[C@@H]1C[NH+](CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000158103734 472893018 /nfs/dbraw/zinc/89/30/18/472893018.db2.gz LSTQQAFQMDDOPF-QZTJIDSGSA-N 2 0 344.474 2.998 20 30 EFEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@@H](C)O1 ZINC000092587516 472943126 /nfs/dbraw/zinc/94/31/26/472943126.db2.gz IUORRFANMJMRSL-HUUCEWRRSA-N 2 0 333.501 2.941 20 30 EFEDRP CC[NH+](CC)CCOC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000075007383 473112122 /nfs/dbraw/zinc/11/21/22/473112122.db2.gz WVXANTNYHNXAJG-UHFFFAOYSA-N 2 0 345.487 2.760 20 30 EFEDRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075110470 473127225 /nfs/dbraw/zinc/12/72/25/473127225.db2.gz CZFKXKNYKGXECZ-OAQYLSRUSA-N 2 0 340.515 2.940 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087199 473439349 /nfs/dbraw/zinc/43/93/49/473439349.db2.gz SNBLWSIHGBYWAB-ZDUSSCGKSA-N 2 0 343.302 2.952 20 30 EFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185775343 473510642 /nfs/dbraw/zinc/51/06/42/473510642.db2.gz XYHBEJKVFGQKDL-NHCUHLMSSA-N 2 0 340.515 2.866 20 30 EFEDRP CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152488624 473568664 /nfs/dbraw/zinc/56/86/64/473568664.db2.gz VRIMQDWONDGKEK-HNNXBMFYSA-N 2 0 346.500 2.514 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000173160667 473757891 /nfs/dbraw/zinc/75/78/91/473757891.db2.gz PEZJNIAJMVHRJT-UHFFFAOYSA-N 2 0 341.455 2.875 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246277667 473813970 /nfs/dbraw/zinc/81/39/70/473813970.db2.gz BEUPYTQVAVMCBO-PXNSSMCTSA-N 2 0 345.487 2.664 20 30 EFEDRP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936328 473889672 /nfs/dbraw/zinc/88/96/72/473889672.db2.gz IMYBCXOYHSLMKJ-QFBILLFUSA-N 2 0 338.455 2.596 20 30 EFEDRP C=CCN1CC[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938752 473890906 /nfs/dbraw/zinc/89/09/06/473890906.db2.gz IRKGRXFVIPUXFW-FQEVSTJZSA-N 2 0 341.499 2.617 20 30 EFEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCCCC1 ZINC000264070153 473947293 /nfs/dbraw/zinc/94/72/93/473947293.db2.gz CYABTJSBISAEQQ-GOSISDBHSA-N 2 0 328.504 2.788 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000264124343 473951609 /nfs/dbraw/zinc/95/16/09/473951609.db2.gz RZOABVFVYNREHV-UHFFFAOYSA-N 2 0 326.444 2.944 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000264147275 473953787 /nfs/dbraw/zinc/95/37/87/473953787.db2.gz YEVDYHSWMARKDJ-JKSUJKDBSA-N 2 0 332.492 2.500 20 30 EFEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181691045 474056994 /nfs/dbraw/zinc/05/69/94/474056994.db2.gz SSJHIWWXAQPEBP-MSOLQXFVSA-N 2 0 344.503 2.513 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774238 474063060 /nfs/dbraw/zinc/06/30/60/474063060.db2.gz SQSHEYOAEUOYIN-DLBZAZTESA-N 2 0 343.471 2.740 20 30 EFEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247106500 474065103 /nfs/dbraw/zinc/06/51/03/474065103.db2.gz ORSNEZHISPINTL-ZWKOTPCHSA-N 2 0 346.519 2.668 20 30 EFEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000270569898 474172668 /nfs/dbraw/zinc/17/26/68/474172668.db2.gz MWLLFDCCSSBVMF-UHFFFAOYSA-N 2 0 341.459 2.566 20 30 EFEDRP Cc1ccc(NC(=[NH2+])NCc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000270610988 474191192 /nfs/dbraw/zinc/19/11/92/474191192.db2.gz YDUDAHZHOXNPOK-UHFFFAOYSA-N 2 0 341.459 2.566 20 30 EFEDRP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000266980019 474555197 /nfs/dbraw/zinc/55/51/97/474555197.db2.gz MAYAFNDLRVRVSD-LLVKDONJSA-N 2 0 328.382 2.592 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271488527 474569135 /nfs/dbraw/zinc/56/91/35/474569135.db2.gz KAUCGNOFNWURIF-NDXORKPFSA-N 2 0 342.483 2.727 20 30 EFEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000290384620 474569638 /nfs/dbraw/zinc/56/96/38/474569638.db2.gz OFPIAXIGUAKJCC-QFIPXVFZSA-N 2 0 334.463 2.914 20 30 EFEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291398517 474602738 /nfs/dbraw/zinc/60/27/38/474602738.db2.gz DOONKPNLDGEGEP-SFHVURJKSA-N 2 0 341.499 2.665 20 30 EFEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000267246413 474626895 /nfs/dbraw/zinc/62/68/95/474626895.db2.gz YMGVWAVAZJWQOZ-UHFFFAOYSA-N 2 0 329.469 2.892 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C(C)C ZINC000272859336 474627387 /nfs/dbraw/zinc/62/73/87/474627387.db2.gz VEBOUQHYSCMCTE-IEBWSBKVSA-N 2 0 348.535 2.635 20 30 EFEDRP C[N@@H+]1CCC[C@]2(CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933803 474722879 /nfs/dbraw/zinc/72/28/79/474722879.db2.gz JIKBPCNJBHENMZ-IBGZPJMESA-N 2 0 337.427 2.526 20 30 EFEDRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000278886372 474894546 /nfs/dbraw/zinc/89/45/46/474894546.db2.gz YGTWUSMGRTWWPQ-HXUWFJFHSA-N 2 0 328.504 2.873 20 30 EFEDRP COCC[NH+](CCOC)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000285635944 475035491 /nfs/dbraw/zinc/03/54/91/475035491.db2.gz YYTUGRACVHRIRP-KRWDZBQOSA-N 2 0 345.487 2.678 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000337460266 475038899 /nfs/dbraw/zinc/03/88/99/475038899.db2.gz ZMMBBRTUSRWPLX-CEXWTWQISA-N 2 0 348.535 2.611 20 30 EFEDRP C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000285769147 475041074 /nfs/dbraw/zinc/04/10/74/475041074.db2.gz SQYICWOXRNBWST-KRWDZBQOSA-N 2 0 326.488 2.849 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293606070 475043200 /nfs/dbraw/zinc/04/32/00/475043200.db2.gz JOAZZOPCVGCOPY-FQEVSTJZSA-N 2 0 326.488 2.954 20 30 EFEDRP CC[NH+](CC)CCOCC[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000294628940 475077012 /nfs/dbraw/zinc/07/70/12/475077012.db2.gz PETXJUFSBFSXFF-UHFFFAOYSA-N 2 0 347.503 2.777 20 30 EFEDRP C#CC[N@H+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944078 475093032 /nfs/dbraw/zinc/09/30/32/475093032.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 3 0 325.500 2.727 20 30 EFEDRP C#CC[N@H+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000294944083 475093390 /nfs/dbraw/zinc/09/33/90/475093390.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 3 0 325.500 2.727 20 30 EFEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000329686346 475113486 /nfs/dbraw/zinc/11/34/86/475113486.db2.gz AHBPTELBLDNCBX-UHFFFAOYSA-N 2 0 339.443 2.907 20 30 EFEDRP COc1cc(CN(C)C[C@@H](C)C#N)cc(CN(C)C[C@@H](C)C#N)c1 ZINC000292638168 475128736 /nfs/dbraw/zinc/12/87/36/475128736.db2.gz OECWKSLKOYBGFF-HOTGVXAUSA-N 2 0 328.460 2.878 20 30 EFEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1=O ZINC000281326634 475172157 /nfs/dbraw/zinc/17/21/57/475172157.db2.gz VLXKWRYSUAWSHC-FXAWDEMLSA-N 2 0 341.499 2.938 20 30 EFEDRP CC[NH+]1CCC(NC(=O)CN(C)Cc2c(C)nc3sccn23)CC1 ZINC000329994254 475180552 /nfs/dbraw/zinc/18/05/52/475180552.db2.gz MCAGLTRALBALTD-UHFFFAOYSA-N 2 0 349.504 2.577 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000347552116 475323752 /nfs/dbraw/zinc/32/37/52/475323752.db2.gz LBAQOWOQCAPWSN-IBGZPJMESA-N 2 0 327.472 2.718 20 30 EFEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348281647 475558313 /nfs/dbraw/zinc/55/83/13/475558313.db2.gz LCCALOZKSUPPIU-QAPCUYQASA-N 2 0 340.471 2.549 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000346546335 475647117 /nfs/dbraw/zinc/64/71/17/475647117.db2.gz GXUPXJZKPNQZHD-XLIONFOSSA-N 2 0 329.488 2.979 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358794398 475944175 /nfs/dbraw/zinc/94/41/75/475944175.db2.gz HGQPAHHCXWLHTC-KRWDZBQOSA-N 2 0 336.524 2.591 20 30 EFEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000355464151 475959386 /nfs/dbraw/zinc/95/93/86/475959386.db2.gz UMJJBHUZHZLSDY-UHFFFAOYSA-N 2 0 328.460 2.691 20 30 EFEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343721683 476105397 /nfs/dbraw/zinc/10/53/97/476105397.db2.gz CTTQJVFACLHYNN-IRXDYDNUSA-N 2 0 326.488 2.720 20 30 EFEDRP Cn1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000359998180 476280378 /nfs/dbraw/zinc/28/03/78/476280378.db2.gz WATCXMTUGLKQGR-UHFFFAOYSA-N 2 0 337.471 2.732 20 30 EFEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840787 476421320 /nfs/dbraw/zinc/42/13/20/476421320.db2.gz OYUTWHKZDNECEE-OXQOHEQNSA-N 2 0 326.488 2.551 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224392 476516162 /nfs/dbraw/zinc/51/61/62/476516162.db2.gz NXNYPAUROOKXKD-DOTOQJQBSA-N 2 0 328.460 2.691 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000354285693 476561540 /nfs/dbraw/zinc/56/15/40/476561540.db2.gz WPTIAZXEWRWLDO-IBGZPJMESA-N 2 0 329.488 2.664 20 30 EFEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354428552 476656296 /nfs/dbraw/zinc/65/62/96/476656296.db2.gz LGXGPZARNXZQAY-QGZVFWFLSA-N 2 0 342.487 2.595 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000422972901 476871918 /nfs/dbraw/zinc/87/19/18/476871918.db2.gz AVUJIUMBPKSWDX-RYRKJORJSA-N 2 0 330.451 2.773 20 30 EFEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2)c(F)c1 ZINC000422979257 476875787 /nfs/dbraw/zinc/87/57/87/476875787.db2.gz MJNDUPUXUSRONU-BDVYOWHSSA-N 2 0 330.451 2.773 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999544 476886680 /nfs/dbraw/zinc/88/66/80/476886680.db2.gz SPKRJHUTJRFDSK-WMZOPIPTSA-N 2 0 343.471 2.942 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415122269 476907930 /nfs/dbraw/zinc/90/79/30/476907930.db2.gz JRXARCUTZJBMTE-UYAOXDASSA-N 2 0 330.472 2.970 20 30 EFEDRP C[N@H+](CCC(=O)Nc1sccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767536 476995928 /nfs/dbraw/zinc/99/59/28/476995928.db2.gz FZLXJBBDKDKQFR-YIONKMFJSA-N 2 0 332.473 2.505 20 30 EFEDRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2)CC1 ZINC000424131711 477302910 /nfs/dbraw/zinc/30/29/10/477302910.db2.gz JQNZWAFOSHYXBF-OALUTQOASA-N 2 0 342.487 2.597 20 30 EFEDRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150412 477310505 /nfs/dbraw/zinc/31/05/05/477310505.db2.gz YNOSXVSNKNYOPS-QRQLOZEOSA-N 2 0 342.487 2.519 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424285595 477355289 /nfs/dbraw/zinc/35/52/89/477355289.db2.gz FZWMLMSBLDYOKO-INIZCTEOSA-N 2 0 329.488 2.938 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417539749 477455876 /nfs/dbraw/zinc/45/58/76/477455876.db2.gz ONAHZBXMPIGXIL-PKOBYXMFSA-N 2 0 348.535 2.591 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417541900 477456261 /nfs/dbraw/zinc/45/62/61/477456261.db2.gz SDAQDWYCHJEZFT-UHFFFAOYSA-N 2 0 336.524 2.639 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090631 477669035 /nfs/dbraw/zinc/66/90/35/477669035.db2.gz WYGUQCQYCZUMHK-YFFANZOGSA-N 2 0 342.487 2.962 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420328885 477699181 /nfs/dbraw/zinc/69/91/81/477699181.db2.gz NHIRRSAGIUTXMK-QZTJIDSGSA-N 2 0 329.488 2.795 20 30 EFEDRP C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000372420006 477796005 /nfs/dbraw/zinc/79/60/05/477796005.db2.gz FRJGXOYTHUFOHW-ICSRJNTNSA-N 2 0 341.499 2.631 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000420981209 477875606 /nfs/dbraw/zinc/87/56/06/477875606.db2.gz MTPGUUZUBQIWGR-UHFFFAOYSA-N 2 0 340.515 2.745 20 30 EFEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000559290101 477973939 /nfs/dbraw/zinc/97/39/39/477973939.db2.gz IDOVHKNMYLRSPY-IAGOWNOFSA-N 2 0 342.487 2.665 20 30 EFEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000560693620 478124759 /nfs/dbraw/zinc/12/47/59/478124759.db2.gz DRADEJFBEVZJRN-LJQANCHMSA-N 2 0 332.536 2.951 20 30 EFEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536663816 478267740 /nfs/dbraw/zinc/26/77/40/478267740.db2.gz WVELAOQSTPHJQV-HXUWFJFHSA-N 2 0 343.515 2.852 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000579826589 478348710 /nfs/dbraw/zinc/34/87/10/478348710.db2.gz HBLOFZGPKQZSBY-IAGOWNOFSA-N 2 0 348.878 2.614 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000579826591 478349045 /nfs/dbraw/zinc/34/90/45/478349045.db2.gz HBLOFZGPKQZSBY-SJORKVTESA-N 2 0 348.878 2.614 20 30 EFEDRP N#CCC[C@H](C#N)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000580828592 478369003 /nfs/dbraw/zinc/36/90/03/478369003.db2.gz CTQZZRJOPHGLAX-LJQANCHMSA-N 2 0 339.487 2.622 20 30 EFEDRP C=CCCOCCCCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000540498100 478478184 /nfs/dbraw/zinc/47/81/84/478478184.db2.gz OHDMQVSFVYAOCJ-UHFFFAOYSA-N 2 0 346.475 2.535 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)c(F)c1 ZINC000582175604 478529564 /nfs/dbraw/zinc/52/95/64/478529564.db2.gz LZDIXCLONSVJCG-JQHSSLGASA-N 2 0 330.451 2.916 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000491535591 478579115 /nfs/dbraw/zinc/57/91/15/478579115.db2.gz DAIOLVGXKNGIEU-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)CC[NH2+]CC1 ZINC000591570922 478583207 /nfs/dbraw/zinc/58/32/07/478583207.db2.gz BTYQNOGLQFZSSD-HUUCEWRRSA-N 2 0 329.444 2.530 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000591578275 478586137 /nfs/dbraw/zinc/58/61/37/478586137.db2.gz KLBGZKGWRSUQNM-UHFFFAOYSA-N 2 0 332.451 2.920 20 30 EFEDRP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000571947472 478714239 /nfs/dbraw/zinc/71/42/39/478714239.db2.gz WZUOGWOANZYLFE-UHFFFAOYSA-N 2 0 326.488 2.849 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592470954 478907534 /nfs/dbraw/zinc/90/75/34/478907534.db2.gz PKSLDGMBAFSOJN-FDIDQYAWSA-N 2 0 340.471 2.621 20 30 EFEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000601967076 479099446 /nfs/dbraw/zinc/09/94/46/479099446.db2.gz HRUKNLIEXHEVQL-BHIYHBOVSA-N 2 0 329.488 2.645 20 30 EFEDRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(C#N)cc1F ZINC000602020145 479141676 /nfs/dbraw/zinc/14/16/76/479141676.db2.gz JDDMSVKRIDERTQ-CYBMUJFWSA-N 2 0 325.391 2.675 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602022055 479143825 /nfs/dbraw/zinc/14/38/25/479143825.db2.gz SRRKLCXOEPKOCI-LJQANCHMSA-N 2 0 333.439 2.852 20 30 EFEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110704 479254420 /nfs/dbraw/zinc/25/44/20/479254420.db2.gz PFVDTQGSWHBPMR-PKOBYXMFSA-N 2 0 336.524 2.627 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000593324588 479295875 /nfs/dbraw/zinc/29/58/75/479295875.db2.gz XUULFBARZJGICY-AZUAARDMSA-N 2 0 326.488 2.630 20 30 EFEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390658 479366330 /nfs/dbraw/zinc/36/63/30/479366330.db2.gz NBMFZCOJJHHJFB-IBGZPJMESA-N 2 0 326.488 2.551 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000611392872 479366629 /nfs/dbraw/zinc/36/66/29/479366629.db2.gz RJAVYUVVVMRPBE-QUCCMNQESA-N 2 0 327.472 2.762 20 30 EFEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393348 479366947 /nfs/dbraw/zinc/36/69/47/479366947.db2.gz CYQJQZLEEQBEES-FQEVSTJZSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@H](CCC#N)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602509788 479374474 /nfs/dbraw/zinc/37/44/74/479374474.db2.gz STLIIZNFVFLFQO-LJQANCHMSA-N 2 0 328.504 2.724 20 30 EFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000602525965 479381636 /nfs/dbraw/zinc/38/16/36/479381636.db2.gz UNHHHERWJJDJIL-KRWDZBQOSA-N 2 0 345.487 2.816 20 30 EFEDRP C[C@H](CCC#N)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602660520 479455111 /nfs/dbraw/zinc/45/51/11/479455111.db2.gz DWMXHGLWDAWLDP-LJQANCHMSA-N 2 0 328.504 2.676 20 30 EFEDRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000602694800 479480569 /nfs/dbraw/zinc/48/05/69/479480569.db2.gz JWWCGTLYMVDDGB-IBGZPJMESA-N 2 0 327.472 2.761 20 30 EFEDRP CN1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000618561370 479493335 /nfs/dbraw/zinc/49/33/35/479493335.db2.gz BDOGWPDGCQXOCU-BRWVUGGUSA-N 2 0 332.517 2.709 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593918353 479508064 /nfs/dbraw/zinc/50/80/64/479508064.db2.gz VTVTYLGJQWYLIH-KRWDZBQOSA-N 2 0 346.500 2.834 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593918354 479508651 /nfs/dbraw/zinc/50/86/51/479508651.db2.gz VTVTYLGJQWYLIH-QGZVFWFLSA-N 2 0 346.500 2.834 20 30 EFEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614167233 480211866 /nfs/dbraw/zinc/21/18/66/480211866.db2.gz BGQVHBGBBKMYPG-FQEVSTJZSA-N 2 0 340.515 2.700 20 30 EFEDRP C=CCC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641759881 481055382 /nfs/dbraw/zinc/05/53/82/481055382.db2.gz JYDOVROUTDLPEF-GOSISDBHSA-N 2 0 331.504 2.634 20 30 EFEDRP C=CC[C@@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC000662739025 481954427 /nfs/dbraw/zinc/95/44/27/481954427.db2.gz BUIXVWVGXVLTRI-FQEVSTJZSA-N 2 0 340.471 2.840 20 30 EFEDRP CC(C)O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](OC(C)C)C2)C1 ZINC000649703246 482201261 /nfs/dbraw/zinc/20/12/61/482201261.db2.gz YATLFPLSORPCPA-WOJBJXKFSA-N 2 0 336.520 2.769 20 30 EFEDRP C=C(CC)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000358497827 534379949 /nfs/dbraw/zinc/37/99/49/534379949.db2.gz LEASTWOXZRIAGA-UHFFFAOYSA-N 2 0 343.515 2.913 20 30 EFEDRP C=CCc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000357050177 534413883 /nfs/dbraw/zinc/41/38/83/534413883.db2.gz LVOMKBAGMCNCHV-GOSISDBHSA-N 2 0 330.472 2.951 20 30 EFEDRP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181663019 522059556 /nfs/dbraw/zinc/05/95/56/522059556.db2.gz LCIDSZCHGQIQBD-QGZVFWFLSA-N 2 0 328.504 2.843 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NCc1ccccc1C[NH+]1CCCC1 ZINC000171408790 526385192 /nfs/dbraw/zinc/38/51/92/526385192.db2.gz XUIRWEGMCLOLMY-UHFFFAOYSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174156667 526626162 /nfs/dbraw/zinc/62/61/62/526626162.db2.gz PGCBWXPQKCQDEN-MRXNPFEDSA-N 2 0 341.455 2.692 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000159102685 527114454 /nfs/dbraw/zinc/11/44/54/527114454.db2.gz JSRLNHLPTWSHKP-QGZVFWFLSA-N 2 0 330.472 2.850 20 30 EFEDRP CC[NH+](CC)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181386745 528112633 /nfs/dbraw/zinc/11/26/33/528112633.db2.gz QSBGRXJEJINKFN-UHFFFAOYSA-N 2 0 328.504 2.844 20 30 EFEDRP CC(C)[NH+](CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C(C)C ZINC000304814590 535052871 /nfs/dbraw/zinc/05/28/71/535052871.db2.gz ZUXQBVIDTHMYMF-QGZVFWFLSA-N 2 0 332.492 2.923 20 30 EFEDRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000343421858 535155578 /nfs/dbraw/zinc/15/55/78/535155578.db2.gz UTIFAXYVXQAJNL-UHFFFAOYSA-N 2 0 340.515 2.743 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262562960 535168798 /nfs/dbraw/zinc/16/87/98/535168798.db2.gz XANSZSJKDGTFFJ-WBVHZDCISA-N 2 0 330.476 2.535 20 30 EFEDRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c2)CC1 ZINC000424150981 535281239 /nfs/dbraw/zinc/28/12/39/535281239.db2.gz GWQQFXKAVLPLSF-IBGZPJMESA-N 2 0 342.487 2.556 20 30 EFEDRP CCN(CC)C(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000264068303 535388274 /nfs/dbraw/zinc/38/82/74/535388274.db2.gz CDTQKCUZMSSQAB-UHFFFAOYSA-N 2 0 345.535 2.554 20 30 EFEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000344112388 535903500 /nfs/dbraw/zinc/90/35/00/535903500.db2.gz IUSFMIDCNCSPDJ-UHFFFAOYSA-N 2 0 329.469 2.892 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000771829047 581248231 /nfs/dbraw/zinc/24/82/31/581248231.db2.gz GHJYCASFQLVOIT-UHFFFAOYSA-N 2 0 338.430 2.739 20 30 EFEDRP C=CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000850368709 1250451234 /nfs/dbraw/zinc/45/12/34/1250451234.db2.gz OXZUVDJRMNCUTO-UHFFFAOYSA-N 2 0 329.488 2.653 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001752815993 1251471416 /nfs/dbraw/zinc/47/14/16/1251471416.db2.gz VQOXXSOIFXFWEH-LJQANCHMSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493460 1252059830 /nfs/dbraw/zinc/05/98/30/1252059830.db2.gz XCJFWZINJAKDAP-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089684484 1252167800 /nfs/dbraw/zinc/16/78/00/1252167800.db2.gz QCGCFVCERVSLIC-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001089687431 1252183788 /nfs/dbraw/zinc/18/37/88/1252183788.db2.gz JSIWVJZCOYDWDU-IRXDYDNUSA-N 2 0 344.503 2.547 20 30 EFEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735339 1252339260 /nfs/dbraw/zinc/33/92/60/1252339260.db2.gz IGTBGJMRRYSLEF-IBGZPJMESA-N 2 0 341.499 2.602 20 30 EFEDRP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332490 1253180100 /nfs/dbraw/zinc/18/01/00/1253180100.db2.gz COXITTHGNARKTM-FUHWJXTLSA-N 2 0 345.487 2.585 20 30 EFEDRP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332491 1253180639 /nfs/dbraw/zinc/18/06/39/1253180639.db2.gz COXITTHGNARKTM-SJLPKXTDSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945333735 1253183144 /nfs/dbraw/zinc/18/31/44/1253183144.db2.gz KIFFWXULDXNFKB-NVXWUHKLSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583493 1254468652 /nfs/dbraw/zinc/46/86/52/1254468652.db2.gz SITRJKCIHLCDKI-INIZCTEOSA-N 2 0 339.911 2.680 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996379743 1255261509 /nfs/dbraw/zinc/26/15/09/1255261509.db2.gz OIVHOVOZJRUKEG-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098819551 1255735682 /nfs/dbraw/zinc/73/56/82/1255735682.db2.gz ALDOVSNXNKORLD-QUCCMNQESA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1)C1CCCC1 ZINC001098820240 1255817596 /nfs/dbraw/zinc/81/75/96/1255817596.db2.gz HBPKKRDGEUCTJG-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439304 1255823864 /nfs/dbraw/zinc/82/38/64/1255823864.db2.gz VGVCXSWOYGGREP-WSTZPKSXSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CCC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821571 1255999309 /nfs/dbraw/zinc/99/93/09/1255999309.db2.gz PPIVSLXVXLHJFR-QUCCMNQESA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550217 1256100758 /nfs/dbraw/zinc/10/07/58/1256100758.db2.gz PXZYUGGMVRBNRE-QWFCFKBJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568243 1256156598 /nfs/dbraw/zinc/15/65/98/1256156598.db2.gz XMNCKHZWCLGMBA-UYAOXDASSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579738 1256191220 /nfs/dbraw/zinc/19/12/20/1256191220.db2.gz MNKDGANGTUWTNN-WSTZPKSXSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587404 1256221342 /nfs/dbraw/zinc/22/13/42/1256221342.db2.gz NQXPSBQFPLITEV-UYAOXDASSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635602 1256333275 /nfs/dbraw/zinc/33/32/75/1256333275.db2.gz SZRRQKVJYVUCRP-UYAOXDASSA-N 2 0 333.520 2.799 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652148 1256367136 /nfs/dbraw/zinc/36/71/36/1256367136.db2.gz DRRCZFDIEIRCKV-TZIWHRDSSA-N 2 0 345.531 2.637 20 30 EFEDRP C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000997127003 1257015751 /nfs/dbraw/zinc/01/57/51/1257015751.db2.gz IGRFQHVKIVITLE-NVXWUHKLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997132864 1257033896 /nfs/dbraw/zinc/03/38/96/1257033896.db2.gz QFBPJAGCOHTTOV-MJGOQNOKSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997138954 1257048864 /nfs/dbraw/zinc/04/88/64/1257048864.db2.gz PLPUOKOJQBNOTM-VQIMIIECSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997281194 1257343903 /nfs/dbraw/zinc/34/39/03/1257343903.db2.gz ZRHRRGSQBIENGJ-MJGOQNOKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910033 1257558208 /nfs/dbraw/zinc/55/82/08/1257558208.db2.gz ODRJXMCPLZIWRU-NMLBUPMWSA-N 2 0 345.531 2.607 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386127 1257560433 /nfs/dbraw/zinc/56/04/33/1257560433.db2.gz JRQQESQEZDYPAA-UYAOXDASSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997433780 1257578775 /nfs/dbraw/zinc/57/87/75/1257578775.db2.gz JKJBAKPNJSKNFV-QGZVFWFLSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCC(=C)C)CC2)CC1 ZINC000997433415 1257578806 /nfs/dbraw/zinc/57/88/06/1257578806.db2.gz GVKPQCNMZMXKAV-GOSISDBHSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910822 1257635046 /nfs/dbraw/zinc/63/50/46/1257635046.db2.gz VSMUDKOURSVONL-HAGHYFMRSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653198 1258176014 /nfs/dbraw/zinc/17/60/14/1258176014.db2.gz IKGIELOJGNVCNG-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997659336 1258188859 /nfs/dbraw/zinc/18/88/59/1258188859.db2.gz GUMCLDXBQGSKSE-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997874845 1258557665 /nfs/dbraw/zinc/55/76/65/1258557665.db2.gz SNRHJHZLIQQFPT-INIZCTEOSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997947166 1258819758 /nfs/dbraw/zinc/81/97/58/1258819758.db2.gz AIGNIMDCHZTZER-JKSUJKDBSA-N 2 0 327.900 2.536 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998006318 1258936067 /nfs/dbraw/zinc/93/60/67/1258936067.db2.gz RRDVMSRUJDLPTE-RBUKOAKNSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006221 1258936414 /nfs/dbraw/zinc/93/64/14/1258936414.db2.gz JHNIEBVEHWMENG-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006667 1258937243 /nfs/dbraw/zinc/93/72/43/1258937243.db2.gz LTTYMORXGRNPGH-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018287 1258967532 /nfs/dbraw/zinc/96/75/32/1258967532.db2.gz OKKWQAHNXOWMBO-GUDVDZBRSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020290 1258971124 /nfs/dbraw/zinc/97/11/24/1258971124.db2.gz CDWQENZQGHARQI-UXHICEINSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047569 1259022731 /nfs/dbraw/zinc/02/27/31/1259022731.db2.gz QOQAGRRCARPPEY-IRXDYDNUSA-N 2 0 344.503 2.712 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998062110 1259059253 /nfs/dbraw/zinc/05/92/53/1259059253.db2.gz CMLKMYLUCISXFK-SFHVURJKSA-N 2 0 338.455 2.674 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998110983 1259121671 /nfs/dbraw/zinc/12/16/71/1259121671.db2.gz PIEDUXZSEMYNRO-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171048 1259183754 /nfs/dbraw/zinc/18/37/54/1259183754.db2.gz JVJXFZKAPLTBON-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901548 1260072436 /nfs/dbraw/zinc/07/24/36/1260072436.db2.gz MXGKBFUCNUFUOI-HWOWSKLDSA-N 2 0 327.900 2.581 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273144919 1260363551 /nfs/dbraw/zinc/36/35/51/1260363551.db2.gz UJSISHUSCBNZCA-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540072 1260404507 /nfs/dbraw/zinc/40/45/07/1260404507.db2.gz DQFNSABSBWBGGA-NSHGMRRFSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684895 1260426247 /nfs/dbraw/zinc/42/62/47/1260426247.db2.gz YDBNNHLBNCAYTO-OALUTQOASA-N 2 0 327.472 2.613 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999276493 1260466666 /nfs/dbraw/zinc/46/66/66/1260466666.db2.gz XQJIQIWELYHNFE-AWEZNQCLSA-N 2 0 341.908 2.756 20 30 EFEDRP C=CCN1CC2(CCC1=O)CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273145516 1260658806 /nfs/dbraw/zinc/65/88/06/1260658806.db2.gz XAXCZFJNUZCPSJ-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999794372 1260903132 /nfs/dbraw/zinc/90/31/32/1260903132.db2.gz UTWVSZUXJBSAGK-QGZVFWFLSA-N 2 0 349.906 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000999871650 1260961897 /nfs/dbraw/zinc/96/18/97/1260961897.db2.gz WYBJROCJMKBKSO-UHFFFAOYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888308 1261236487 /nfs/dbraw/zinc/23/64/87/1261236487.db2.gz VECQHTMXDWKEJZ-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC001168667478 1261383561 /nfs/dbraw/zinc/38/35/61/1261383561.db2.gz VOAXGFJMRNSDDX-LJQANCHMSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902617 1261672274 /nfs/dbraw/zinc/67/22/74/1261672274.db2.gz RKTHJPTZGAPIGF-LWYYNNOASA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946905029 1261726111 /nfs/dbraw/zinc/72/61/11/1261726111.db2.gz ZFISIPZXBIQQBQ-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078683634 1262142813 /nfs/dbraw/zinc/14/28/13/1262142813.db2.gz UIVIZICFPNPKLI-JKSUJKDBSA-N 2 0 344.846 2.717 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670030 1262154591 /nfs/dbraw/zinc/15/45/91/1262154591.db2.gz CTRVUGJNRBUYMU-HOTGVXAUSA-N 2 0 344.846 2.717 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078687800 1262208395 /nfs/dbraw/zinc/20/83/95/1262208395.db2.gz FSYOQRVDDUZQPY-RBUKOAKNSA-N 2 0 341.499 2.607 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001486201162 1262785281 /nfs/dbraw/zinc/78/52/81/1262785281.db2.gz QYLCKQAIALBNRZ-HZPDHXFCSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513487 1263210144 /nfs/dbraw/zinc/21/01/44/1263210144.db2.gz PTEVWBOIESLYGP-ZIFCJYIRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406813 1263915717 /nfs/dbraw/zinc/91/57/17/1263915717.db2.gz ZNDJHLOYGLYSNS-NZSAHSFTSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701887 1264246219 /nfs/dbraw/zinc/24/62/19/1264246219.db2.gz WTDDQTDFNKAQGF-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084767945 1264347743 /nfs/dbraw/zinc/34/77/43/1264347743.db2.gz PMMICBCPIIJHRA-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084768909 1264368110 /nfs/dbraw/zinc/36/81/10/1264368110.db2.gz JCXWITDZZRHLPQ-YFVAEKQCSA-N 2 0 341.499 2.572 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852379 1264532521 /nfs/dbraw/zinc/53/25/21/1264532521.db2.gz WMIFYQZEZBGZLS-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849909 1264536617 /nfs/dbraw/zinc/53/66/17/1264536617.db2.gz ZIFXBXDCAAGFHU-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853429 1264540631 /nfs/dbraw/zinc/54/06/31/1264540631.db2.gz PHNLAEFUPWKKQY-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084957947 1264765089 /nfs/dbraw/zinc/76/50/89/1264765089.db2.gz FZFIBYDZGQGGFS-RLLQIKCJSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997985 1264875701 /nfs/dbraw/zinc/87/57/01/1264875701.db2.gz LOAAAYYQCCIPRY-YZGWKJHDSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014131 1264925611 /nfs/dbraw/zinc/92/56/11/1264925611.db2.gz FSEHVCOPHPHEOK-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072588 1265076870 /nfs/dbraw/zinc/07/68/70/1265076870.db2.gz IKSAATKDYQGBER-AQNXPRMDSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)CN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737152 1265114415 /nfs/dbraw/zinc/11/44/15/1265114415.db2.gz HYPQSFKGDFXCHI-MRXNPFEDSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101340 1265145322 /nfs/dbraw/zinc/14/53/22/1265145322.db2.gz FZOFMICBRAJJGN-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CC[NH+](C)CC1 ZINC001273038512 1266517015 /nfs/dbraw/zinc/51/70/15/1266517015.db2.gz DLYFFEOIXXGYOY-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591117 1266531238 /nfs/dbraw/zinc/53/12/38/1266531238.db2.gz OHAMGGQQSBVBPV-IYWMVGAKSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946592708 1266587186 /nfs/dbraw/zinc/58/71/86/1266587186.db2.gz VHEUZQNMSRKYSK-KDURUIRLSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c(C)cnc4c3)CC[C@@H]2C1 ZINC000946592288 1266601997 /nfs/dbraw/zinc/60/19/97/1266601997.db2.gz GLTUHAYWNBWAMV-HDICACEKSA-N 2 0 338.455 2.613 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592331 1266602385 /nfs/dbraw/zinc/60/23/85/1266602385.db2.gz HZAKQZSLKQFKIU-IYWMVGAKSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001004423961 1266966920 /nfs/dbraw/zinc/96/69/20/1266966920.db2.gz DSNRUTKTDABYNC-KRWDZBQOSA-N 2 0 330.476 2.621 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437026 1266980269 /nfs/dbraw/zinc/98/02/69/1266980269.db2.gz IPJYZZTWPLWNGS-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437024 1266980845 /nfs/dbraw/zinc/98/08/45/1266980845.db2.gz IPJYZZTWPLWNGS-UXHICEINSA-N 2 0 345.531 2.607 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001004429752 1266988497 /nfs/dbraw/zinc/98/84/97/1266988497.db2.gz OOEYOEAYIMZGNS-VQTJNVASSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004431421 1266992378 /nfs/dbraw/zinc/99/23/78/1266992378.db2.gz XLWSASOHSOANFS-WOJBJXKFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437071 1266994370 /nfs/dbraw/zinc/99/43/70/1266994370.db2.gz JCLGANLONUCIRC-PMACEKPBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004453917 1267051156 /nfs/dbraw/zinc/05/11/56/1267051156.db2.gz XUAUZVHXXCDVLI-XUVXKRRUSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004472170 1267118387 /nfs/dbraw/zinc/11/83/87/1267118387.db2.gz DMLXAMSQOMPBPM-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616176 1267128222 /nfs/dbraw/zinc/12/82/22/1267128222.db2.gz XWLDNNOYVYLFFB-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085334346 1267184023 /nfs/dbraw/zinc/18/40/23/1267184023.db2.gz HFAYKJGTQNQPMX-WOJBJXKFSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523332 1267215840 /nfs/dbraw/zinc/21/58/40/1267215840.db2.gz OYBOGNCXFMJOAD-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623541 1267217959 /nfs/dbraw/zinc/21/79/59/1267217959.db2.gz LVGUEPLUARFNMD-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004547020 1267268027 /nfs/dbraw/zinc/26/80/27/1267268027.db2.gz KOXWBAHRKYCJJL-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001171069856 1278318535 /nfs/dbraw/zinc/31/85/35/1278318535.db2.gz XQLJVOYCWSXZGL-OAHLLOKOSA-N 2 0 335.517 2.711 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004595158 1267361240 /nfs/dbraw/zinc/36/12/40/1267361240.db2.gz FWLPBFSWDODZIN-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004609021 1267393859 /nfs/dbraw/zinc/39/38/59/1267393859.db2.gz DDTRJTIDEYTAMG-IBGZPJMESA-N 2 0 344.503 2.632 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617152 1267410314 /nfs/dbraw/zinc/41/03/14/1267410314.db2.gz PBNULOVFSGEWOO-KRWDZBQOSA-N 2 0 339.911 2.538 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618965 1267413055 /nfs/dbraw/zinc/41/30/55/1267413055.db2.gz IPXLKODCAWOBKW-HXUWFJFHSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642403 1267448015 /nfs/dbraw/zinc/44/80/15/1267448015.db2.gz IDTHSQATYLMXTQ-YRPNKDGESA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642964 1267450314 /nfs/dbraw/zinc/45/03/14/1267450314.db2.gz XOPFVGLNYUEVSC-WCIQWLHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001085432778 1267459077 /nfs/dbraw/zinc/45/90/77/1267459077.db2.gz PLRPJUSIXTYXGT-BZUAXINKSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC[C@@H]2C1 ZINC000946776154 1268475596 /nfs/dbraw/zinc/47/55/96/1268475596.db2.gz FGJOGTYETJNIIS-IXDOHACOSA-N 2 0 342.487 2.576 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779098 1268505951 /nfs/dbraw/zinc/50/59/51/1268505951.db2.gz GHIRZRBQKFDUBO-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803622 1268738605 /nfs/dbraw/zinc/73/86/05/1268738605.db2.gz OFIXZCXMXHIQOD-KURKYZTESA-N 2 0 330.476 2.581 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808668 1268777202 /nfs/dbraw/zinc/77/72/02/1268777202.db2.gz QYTHJZGCYSQPRS-SLFFLAALSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033424488 1269130273 /nfs/dbraw/zinc/13/02/73/1269130273.db2.gz ZWLRWQPHYQXXML-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006276917 1269457319 /nfs/dbraw/zinc/45/73/19/1269457319.db2.gz YOFGWEKCOLLMFU-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001005391776 1270312667 /nfs/dbraw/zinc/31/26/67/1270312667.db2.gz UPKJFAZRWGSORQ-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033878530 1270436620 /nfs/dbraw/zinc/43/66/20/1270436620.db2.gz LDYDPJKUUKISKP-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033878528 1270436743 /nfs/dbraw/zinc/43/67/43/1270436743.db2.gz LDYDPJKUUKISKP-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086225692 1270568588 /nfs/dbraw/zinc/56/85/88/1270568588.db2.gz GFWNWMIIFPUAJQ-WOVMCDHWSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033930767 1270595054 /nfs/dbraw/zinc/59/50/54/1270595054.db2.gz AIVUPIIPUNJCAP-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001006292904 1270717799 /nfs/dbraw/zinc/71/77/99/1270717799.db2.gz VREXKOWSZVMWOS-HKUYNNGSSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086278227 1270803729 /nfs/dbraw/zinc/80/37/29/1270803729.db2.gz MUZMJGISFIEHPS-WOVMCDHWSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045825 1270956707 /nfs/dbraw/zinc/95/67/07/1270956707.db2.gz NKEFDANPQZWQNL-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005502422 1271029093 /nfs/dbraw/zinc/02/90/93/1271029093.db2.gz FFHPNRAYRAHCQZ-LJQANCHMSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210130 1271363260 /nfs/dbraw/zinc/36/32/60/1271363260.db2.gz FTGBHQRSBJSJRF-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249615 1271423555 /nfs/dbraw/zinc/42/35/55/1271423555.db2.gz LZTBIWQXNIZWEN-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034249603 1271423592 /nfs/dbraw/zinc/42/35/92/1271423592.db2.gz LSPCUTGCUPPEHY-PMACEKPBSA-N 2 0 343.515 2.555 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034237663 1271435042 /nfs/dbraw/zinc/43/50/42/1271435042.db2.gz AOANGUBDAZSLTD-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309918 1271624393 /nfs/dbraw/zinc/62/43/93/1271624393.db2.gz QRMDSZWZTBEQES-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086478770 1271697986 /nfs/dbraw/zinc/69/79/86/1271697986.db2.gz ZGWWZUDWKCJXIB-SAABIXHNSA-N 2 0 349.906 2.641 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366652 1271786304 /nfs/dbraw/zinc/78/63/04/1271786304.db2.gz BZMZLGQBEOUSCP-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366639 1271787124 /nfs/dbraw/zinc/78/71/24/1271787124.db2.gz BZKVCJGBRKOVEN-AZUAARDMSA-N 2 0 345.531 2.778 20 30 EFEDRP CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)[NH+](C)C ZINC001411216475 1272030001 /nfs/dbraw/zinc/03/00/01/1272030001.db2.gz LMQYGLUKOWNGOU-ZWKOTPCHSA-N 2 0 344.503 2.519 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542916 1272255469 /nfs/dbraw/zinc/25/54/69/1272255469.db2.gz XTPJWCOOTUFGFS-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357124 1272300593 /nfs/dbraw/zinc/30/05/93/1272300593.db2.gz YEKCKFAIXVOVLN-IBGZPJMESA-N 2 0 341.540 2.506 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001034645204 1272434191 /nfs/dbraw/zinc/43/41/91/1272434191.db2.gz RVNXWWDGFGMBSS-KZNAEPCWSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001034645202 1272434269 /nfs/dbraw/zinc/43/42/69/1272434269.db2.gz RVNXWWDGFGMBSS-BZSNNMDCSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034661205 1272468631 /nfs/dbraw/zinc/46/86/31/1272468631.db2.gz LCLINMWRYRQMQK-ULQDDVLXSA-N 2 0 341.927 2.734 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCN(CC)CC3)C2)CC1 ZINC001169244883 1272765938 /nfs/dbraw/zinc/76/59/38/1272765938.db2.gz XUCIHMDDKZHMRH-UHFFFAOYSA-N 2 0 349.519 2.971 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001034776889 1272930118 /nfs/dbraw/zinc/93/01/18/1272930118.db2.gz KVWOYKZBTDXMNG-LUKYLMHMSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711270 1273407123 /nfs/dbraw/zinc/40/71/23/1273407123.db2.gz CBZKQISTABSEOH-OTWHNJEPSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108734091 1273412504 /nfs/dbraw/zinc/41/25/04/1273412504.db2.gz NIQTVIPHZDWXOR-SCTDSRPQSA-N 2 0 333.520 2.796 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108733865 1273421510 /nfs/dbraw/zinc/42/15/10/1273421510.db2.gz JFLKFCVEFJZAIZ-NSHGMRRFSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733880 1273421552 /nfs/dbraw/zinc/42/15/52/1273421552.db2.gz JJBXRXZNQOXNNB-BJLQDIEVSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734711 1273424902 /nfs/dbraw/zinc/42/49/02/1273424902.db2.gz XHCIFQOSNZODPF-KSZLIROESA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108739110 1273429511 /nfs/dbraw/zinc/42/95/11/1273429511.db2.gz QRULEHRSYRZRLW-BZSNNMDCSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108785448 1273471430 /nfs/dbraw/zinc/47/14/30/1273471430.db2.gz FNDIFABRSZXPDK-FHWLQOOXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828569 1273520751 /nfs/dbraw/zinc/52/07/51/1273520751.db2.gz SXEQCBOQJCDODY-ULQDDVLXSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828525 1273538919 /nfs/dbraw/zinc/53/89/19/1273538919.db2.gz SBXNSHNFDITWKK-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184384 1273750290 /nfs/dbraw/zinc/75/02/90/1273750290.db2.gz JPEGALGBACNQMY-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184374 1273751628 /nfs/dbraw/zinc/75/16/28/1273751628.db2.gz JHIMFVXDCLZJRX-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035197444 1273761557 /nfs/dbraw/zinc/76/15/57/1273761557.db2.gz XFGGYNKYAKVFRR-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH]ccc-3n1)CC2 ZINC001035198046 1273765013 /nfs/dbraw/zinc/76/50/13/1273765013.db2.gz BKJZBMQLPLMCOD-UHFFFAOYSA-N 2 0 336.439 2.514 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035198969 1273765389 /nfs/dbraw/zinc/76/53/89/1273765389.db2.gz CJQAQHDIZASKIG-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233530 1273885183 /nfs/dbraw/zinc/88/51/83/1273885183.db2.gz HIAGGZSZOSPPGZ-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035243581 1273912995 /nfs/dbraw/zinc/91/29/95/1273912995.db2.gz AKMCMYKLROEFSA-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1c[nH+]ccc1N(C)C)CC2 ZINC001035244800 1273916234 /nfs/dbraw/zinc/91/62/34/1273916234.db2.gz CQYRFQWMGJPRIY-UHFFFAOYSA-N 2 0 342.487 2.652 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244523 1273916958 /nfs/dbraw/zinc/91/69/58/1273916958.db2.gz QEHBIMFUQAJAHK-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035259854 1273953508 /nfs/dbraw/zinc/95/35/08/1273953508.db2.gz GUMBYYUSKJCHSZ-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001035259855 1273956093 /nfs/dbraw/zinc/95/60/93/1273956093.db2.gz GUMBYYUSKJCHSZ-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035717306 1274401394 /nfs/dbraw/zinc/40/13/94/1274401394.db2.gz WIGBLIFHOOCDLK-UHFFFAOYSA-N 2 0 333.501 2.534 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000804128170 1274404829 /nfs/dbraw/zinc/40/48/29/1274404829.db2.gz UDHMLNFUBACKNU-QGZVFWFLSA-N 2 0 337.895 2.957 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035720926 1274407497 /nfs/dbraw/zinc/40/74/97/1274407497.db2.gz OTYVJBYFQOVMAR-SFHVURJKSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560662 1274419201 /nfs/dbraw/zinc/41/92/01/1274419201.db2.gz LSPRJEJCKFXAQH-SQNIBIBYSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741676 1274434644 /nfs/dbraw/zinc/43/46/44/1274434644.db2.gz QLIYAJKLJACNKP-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741574 1274434775 /nfs/dbraw/zinc/43/47/75/1274434775.db2.gz NNELMWBRMDNLIC-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773294 1274497815 /nfs/dbraw/zinc/49/78/15/1274497815.db2.gz VTFSOOVLROHLOW-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773370 1274498587 /nfs/dbraw/zinc/49/85/87/1274498587.db2.gz XRRNKMXYCSGEIU-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035817199 1274511150 /nfs/dbraw/zinc/51/11/50/1274511150.db2.gz BMVJTWCDWRNASP-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035815124 1274548403 /nfs/dbraw/zinc/54/84/03/1274548403.db2.gz YPWGGSUZMSCEQT-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719685 1274572792 /nfs/dbraw/zinc/57/27/92/1274572792.db2.gz KWFPKCHBNDIVSA-BDXSIMOUSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171118202 1278898049 /nfs/dbraw/zinc/89/80/49/1278898049.db2.gz DIAFUJDDAMIZIG-JKSUJKDBSA-N 2 0 329.916 2.878 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547725 1275114167 /nfs/dbraw/zinc/11/41/67/1275114167.db2.gz MBDBQGFLZPYSCD-NSHGMRRFSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001036150986 1275123439 /nfs/dbraw/zinc/12/34/39/1275123439.db2.gz GSBCAEXKOJGVPZ-SWLSCSKDSA-N 2 0 339.867 2.534 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C2 ZINC001112557398 1275148140 /nfs/dbraw/zinc/14/81/40/1275148140.db2.gz DTCBJLDWSRVTGD-BJLQDIEVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001112555539 1275152173 /nfs/dbraw/zinc/15/21/73/1275152173.db2.gz XWPVPBHZCMFZBI-FPOVZHCZSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564162 1275192500 /nfs/dbraw/zinc/19/25/00/1275192500.db2.gz HFLOKJHPSMHTEM-WFXMLNOXSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578294 1275284837 /nfs/dbraw/zinc/28/48/37/1275284837.db2.gz HWIMVWMMUOVMDL-DYXWJJEUSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001036219502 1275287828 /nfs/dbraw/zinc/28/78/28/1275287828.db2.gz PYXDTHZAOOWDAU-RDTXWAMCSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001273143132 1275383890 /nfs/dbraw/zinc/38/38/90/1275383890.db2.gz CEWHOWQFCDQHJI-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC001036304874 1275388494 /nfs/dbraw/zinc/38/84/94/1275388494.db2.gz RINWGCOXARFSHI-KSSFIOAISA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086562826 1276071362 /nfs/dbraw/zinc/07/13/62/1276071362.db2.gz KIZGUDLOGHFLQM-WKILWMFISA-N 2 0 333.476 2.796 20 30 EFEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001273146464 1276326512 /nfs/dbraw/zinc/32/65/12/1276326512.db2.gz MWLNEXJLYXVHPI-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965609 1276352393 /nfs/dbraw/zinc/35/23/93/1276352393.db2.gz LIKZWIOAVCVXJA-HKUYNNGSSA-N 2 0 333.520 2.892 20 30 EFEDRP N#CCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919993 1276378556 /nfs/dbraw/zinc/37/85/56/1276378556.db2.gz YCLIZKMDQCXFNS-CTNGQTDRSA-N 2 0 349.434 2.934 20 30 EFEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873286 1276563985 /nfs/dbraw/zinc/56/39/85/1276563985.db2.gz LZVVKUXSXCIYHL-FQEVSTJZSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174929323 1287235059 /nfs/dbraw/zinc/23/50/59/1287235059.db2.gz QWSFDQDXUVIKOZ-AWEZNQCLSA-N 2 0 341.883 2.972 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859674 1276790794 /nfs/dbraw/zinc/79/07/94/1276790794.db2.gz ZUKKTVORAZPVOT-YSTOQKLRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC000946861261 1276851539 /nfs/dbraw/zinc/85/15/39/1276851539.db2.gz CNPCEFGUXMBWKF-CALCHBBNSA-N 2 0 342.487 2.508 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086579185 1276952353 /nfs/dbraw/zinc/95/23/53/1276952353.db2.gz QDDYSAGFVGYZOI-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001113146651 1277087650 /nfs/dbraw/zinc/08/76/50/1277087650.db2.gz LKHKPIWPJWBRQL-GOSISDBHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005988965 1277307543 /nfs/dbraw/zinc/30/75/43/1277307543.db2.gz ZBQHIKTWEXSRST-LJQANCHMSA-N 2 0 339.499 2.698 20 30 EFEDRP CC[NH+](CC)CCN(CC[NH3+])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367537 1279042233 /nfs/dbraw/zinc/04/22/33/1279042233.db2.gz JFQQAYBWSZDOAA-UHFFFAOYSA-N 2 0 342.531 2.993 20 30 EFEDRP C(#CC[N@@H+]1CC[C@@H](c2ccccn2)C1)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000792880302 1279232788 /nfs/dbraw/zinc/23/27/88/1279232788.db2.gz CVDBTABBCGOWHA-WOJBJXKFSA-N 2 0 346.478 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068230 1279505362 /nfs/dbraw/zinc/50/53/62/1279505362.db2.gz GAZFDHMUWWDXRM-VMBOVVBDSA-N 2 0 339.911 2.630 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001171194671 1279742227 /nfs/dbraw/zinc/74/22/27/1279742227.db2.gz LSZDYBKRXPVTAZ-QGZVFWFLSA-N 2 0 334.467 2.920 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001144568004 1279850639 /nfs/dbraw/zinc/85/06/39/1279850639.db2.gz HOTCCMLDYRGAHW-UHFFFAOYSA-N 2 0 326.484 2.992 20 30 EFEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001091199245 1280084776 /nfs/dbraw/zinc/08/47/76/1280084776.db2.gz GBOZXDOJHNHMJK-FAFZWHIHSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115083 1280195650 /nfs/dbraw/zinc/19/56/50/1280195650.db2.gz NTFDSEYCFFATEG-QYZOEREBSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115374 1280208700 /nfs/dbraw/zinc/20/87/00/1280208700.db2.gz VMKKABRTMIBLQZ-QYZOEREBSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236047 1280291868 /nfs/dbraw/zinc/29/18/68/1280291868.db2.gz KMDZLXXSALCDHA-SJORKVTESA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203249696 1280833066 /nfs/dbraw/zinc/83/30/66/1280833066.db2.gz NZYNKGVGJXRIRU-DLBZAZTESA-N 2 0 333.520 2.844 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584821 1280940668 /nfs/dbraw/zinc/94/06/68/1280940668.db2.gz VFSJAAVGGVVYEN-MSOLQXFVSA-N 2 0 345.531 2.705 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613635 1280952542 /nfs/dbraw/zinc/95/25/42/1280952542.db2.gz ULZKVJKLFJUTST-SJORKVTESA-N 2 0 335.536 2.641 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CC ZINC001171308307 1281193296 /nfs/dbraw/zinc/19/32/96/1281193296.db2.gz QNMBJUNBWDZBAS-MGBKSAOESA-N 2 0 333.520 2.705 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171308522 1281193351 /nfs/dbraw/zinc/19/33/51/1281193351.db2.gz TYQYFZUMKISFRT-OALUTQOASA-N 2 0 335.536 2.785 20 30 EFEDRP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147572700 1281209241 /nfs/dbraw/zinc/20/92/41/1281209241.db2.gz KKAWXRLUPVQADS-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001147717562 1281245196 /nfs/dbraw/zinc/24/51/96/1281245196.db2.gz ZPSUHYRRLLNKQO-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724644 1281247977 /nfs/dbraw/zinc/24/79/77/1281247977.db2.gz LOSLFXOSXNTHEF-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170784269 1287485431 /nfs/dbraw/zinc/48/54/31/1287485431.db2.gz HRYZUHVDNMWXCB-OALUTQOASA-N 2 0 347.547 2.929 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170784267 1287485627 /nfs/dbraw/zinc/48/56/27/1287485627.db2.gz HRYZUHVDNMWXCB-MOPGFXCFSA-N 2 0 347.547 2.929 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001147829897 1281308432 /nfs/dbraw/zinc/30/84/32/1281308432.db2.gz MKJBVYQCHJATFK-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666568 1281317730 /nfs/dbraw/zinc/31/77/30/1281317730.db2.gz BYHNPVLIFMBOJT-HBFSDRIKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666566 1281318288 /nfs/dbraw/zinc/31/82/88/1281318288.db2.gz BYHNPVLIFMBOJT-GGPKGHCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147984843 1281391967 /nfs/dbraw/zinc/39/19/67/1281391967.db2.gz AVJCXZFCGMWCIU-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284843 1281492708 /nfs/dbraw/zinc/49/27/08/1281492708.db2.gz HJJITXDIOAAOPG-MSOLQXFVSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001148285416 1281494970 /nfs/dbraw/zinc/49/49/70/1281494970.db2.gz RACLUCUDAWXKEL-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604613 1281648470 /nfs/dbraw/zinc/64/84/70/1281648470.db2.gz IVMOQRYOGNZUME-SFHVURJKSA-N 2 0 335.536 2.833 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611649 1281651842 /nfs/dbraw/zinc/65/18/42/1281651842.db2.gz HSAXCBYMHRRRNI-LJQANCHMSA-N 2 0 341.499 2.790 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833758 1281760436 /nfs/dbraw/zinc/76/04/36/1281760436.db2.gz ILSQOJLAVOHIPC-RTBURBONSA-N 2 0 347.547 2.996 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921487 1281931697 /nfs/dbraw/zinc/93/16/97/1281931697.db2.gz QQSUHXNFVDKWCQ-RTBURBONSA-N 2 0 345.531 2.586 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921484 1281932689 /nfs/dbraw/zinc/93/26/89/1281932689.db2.gz QQSUHXNFVDKWCQ-MOPGFXCFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924302 1281939071 /nfs/dbraw/zinc/93/90/71/1281939071.db2.gz OUCTYDNRRDGCHS-RCCFBDPRSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926767 1281948366 /nfs/dbraw/zinc/94/83/66/1281948366.db2.gz JIGHEFKHFSJRHH-OALUTQOASA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941169 1281968249 /nfs/dbraw/zinc/96/82/49/1281968249.db2.gz LGNDCZNCPTZSKM-GOSISDBHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942108 1281971873 /nfs/dbraw/zinc/97/18/73/1281971873.db2.gz JBDXLBAVVYKYJG-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942392 1281972480 /nfs/dbraw/zinc/97/24/80/1281972480.db2.gz PQUBENDNOBEBQI-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943251 1281975163 /nfs/dbraw/zinc/97/51/63/1281975163.db2.gz PJSLTDRVDMFJQE-MSOLQXFVSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928050 1281990080 /nfs/dbraw/zinc/99/00/80/1281990080.db2.gz UOIJZLNLDYAKSA-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952831 1282016220 /nfs/dbraw/zinc/01/62/20/1282016220.db2.gz RLFJHKVBADIHLY-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001086953641 1282019403 /nfs/dbraw/zinc/01/94/03/1282019403.db2.gz OOQSUKHWHAGNCV-SFHVURJKSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957148 1282028813 /nfs/dbraw/zinc/02/88/13/1282028813.db2.gz GEPOPTLDMUKCLB-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001175766839 1287546898 /nfs/dbraw/zinc/54/68/98/1287546898.db2.gz AZGYIRXAKJPCNT-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856212 1282191360 /nfs/dbraw/zinc/19/13/60/1282191360.db2.gz LAYQYPFZCXIHGE-XLIONFOSSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071282 1282369557 /nfs/dbraw/zinc/36/95/57/1282369557.db2.gz OFNMYQBRUCXFAL-SBHAEUEKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081052 1287577192 /nfs/dbraw/zinc/57/71/92/1287577192.db2.gz GHUOATWSHYSPPP-HUUCEWRRSA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092297312 1282546425 /nfs/dbraw/zinc/54/64/25/1282546425.db2.gz TXPLKHULCSIIOE-CTNGQTDRSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302861 1282549302 /nfs/dbraw/zinc/54/93/02/1282549302.db2.gz AVZZTJJNOYRODV-SBHAEUEKSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671775 1282935984 /nfs/dbraw/zinc/93/59/84/1282935984.db2.gz PAOZXHKDFCUAGS-GUDVDZBRSA-N 2 0 335.536 2.615 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092677050 1282943201 /nfs/dbraw/zinc/94/32/01/1282943201.db2.gz VHHTZZFGKMZIOB-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190867 1287607882 /nfs/dbraw/zinc/60/78/82/1287607882.db2.gz VONQMFYQKFQBQO-QYZOEREBSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828994 1283050089 /nfs/dbraw/zinc/05/00/89/1283050089.db2.gz YCQRTNGKNFHNHT-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132156735 1283060135 /nfs/dbraw/zinc/06/01/35/1283060135.db2.gz IILUEBQAAGBGGA-DOTOQJQBSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141526 1283068829 /nfs/dbraw/zinc/06/88/29/1283068829.db2.gz RJXUJBLIPOIKKP-ROUUACIJSA-N 2 0 344.503 2.843 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132173347 1283086246 /nfs/dbraw/zinc/08/62/46/1283086246.db2.gz LEWVCGYGMSWENB-WBVHZDCISA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001092967966 1283140739 /nfs/dbraw/zinc/14/07/39/1283140739.db2.gz LFKMWSRNUZBTAG-YLJYHZDGSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093025054 1283166084 /nfs/dbraw/zinc/16/60/84/1283166084.db2.gz OUVBPZJOHMKEFN-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731149 1283289989 /nfs/dbraw/zinc/28/99/89/1283289989.db2.gz OZGOODZRKRRSIE-RDJZCZTQSA-N 2 0 347.528 2.922 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759322 1283462771 /nfs/dbraw/zinc/46/27/71/1283462771.db2.gz JWTCEYQZTDKFFE-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176024166 1287661029 /nfs/dbraw/zinc/66/10/29/1287661029.db2.gz MHYSOHQAQNJQNI-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793720 1283724415 /nfs/dbraw/zinc/72/44/15/1283724415.db2.gz KKYNRRVTLHWVAR-HOTGVXAUSA-N 2 0 339.911 2.536 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093370912 1283806052 /nfs/dbraw/zinc/80/60/52/1283806052.db2.gz GYWZKUAUIPSRPI-SFHVURJKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371194 1283806457 /nfs/dbraw/zinc/80/64/57/1283806457.db2.gz LUUGOMDEGHQJFQ-MOPGFXCFSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001093373919 1283818437 /nfs/dbraw/zinc/81/84/37/1283818437.db2.gz UZVRRUORKWJNBN-MOPGFXCFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001093376551 1283825557 /nfs/dbraw/zinc/82/55/57/1283825557.db2.gz ADFGISJSJUWFPG-FXAWDEMLSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001093376563 1283827073 /nfs/dbraw/zinc/82/70/73/1283827073.db2.gz ADFGISJSJUWFPG-YLJYHZDGSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@@H]21 ZINC001036835063 1284147697 /nfs/dbraw/zinc/14/76/97/1284147697.db2.gz UDFMGQZUJYFGGP-MSOLQXFVSA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036858894 1284335564 /nfs/dbraw/zinc/33/55/64/1284335564.db2.gz GZNJZVQKVIUSIF-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859154 1284336767 /nfs/dbraw/zinc/33/67/67/1284336767.db2.gz LALOSVSZXKMXMZ-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132832494 1284361930 /nfs/dbraw/zinc/36/19/30/1284361930.db2.gz XNZXUXANBXZSOI-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112442 1287714098 /nfs/dbraw/zinc/71/40/98/1287714098.db2.gz SDRCQUFPXWFORV-KRWDZBQOSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132922809 1284470196 /nfs/dbraw/zinc/47/01/96/1284470196.db2.gz AEEONOVKQZBMHZ-ZWKOTPCHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132923252 1284471734 /nfs/dbraw/zinc/47/17/34/1284471734.db2.gz FVFRYZFTOXQEGD-RBUKOAKNSA-N 2 0 347.547 2.903 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001176112768 1287715705 /nfs/dbraw/zinc/71/57/05/1287715705.db2.gz ZHZSVNOFQCGMJM-RTBURBONSA-N 2 0 335.536 2.929 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120217 1287716371 /nfs/dbraw/zinc/71/63/71/1287716371.db2.gz KZTXJVQANBHKOF-HKUYNNGSSA-N 2 0 329.488 2.577 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120146 1287717620 /nfs/dbraw/zinc/71/76/20/1287717620.db2.gz JRIZFNRSPPLZIB-ICSRJNTNSA-N 2 0 343.515 2.967 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973917 1284533276 /nfs/dbraw/zinc/53/32/76/1284533276.db2.gz SVIXMBGAKBRICV-WMZOPIPTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132955669 1284538042 /nfs/dbraw/zinc/53/80/42/1284538042.db2.gz UFNAUJDTJPCISJ-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133015478 1284622928 /nfs/dbraw/zinc/62/29/28/1284622928.db2.gz FLJRQHOJTQICDZ-MOPGFXCFSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133010951 1284652094 /nfs/dbraw/zinc/65/20/94/1284652094.db2.gz DPIFROMKWSLZSG-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133012441 1284655740 /nfs/dbraw/zinc/65/57/40/1284655740.db2.gz QZWAICLMEDPFQZ-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133063703 1284729474 /nfs/dbraw/zinc/72/94/74/1284729474.db2.gz GFPNBGBTLUJOQI-WMZOPIPTSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192046 1287734222 /nfs/dbraw/zinc/73/42/22/1287734222.db2.gz CVSZPKVMNVRGQW-INIZCTEOSA-N 2 0 332.492 2.992 20 30 EFEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192464 1287734440 /nfs/dbraw/zinc/73/44/40/1287734440.db2.gz KUJIEEUEGDDPAT-MRXNPFEDSA-N 2 0 332.492 2.992 20 30 EFEDRP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176156365 1287739991 /nfs/dbraw/zinc/73/99/91/1287739991.db2.gz IKCZBMLLVMZJOR-GOSISDBHSA-N 2 0 341.540 2.576 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162523 1284917183 /nfs/dbraw/zinc/91/71/83/1284917183.db2.gz NHUVJFGVQICGPT-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001133185670 1284952076 /nfs/dbraw/zinc/95/20/76/1284952076.db2.gz HBFQPCBMEPYFDZ-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213347 1285001431 /nfs/dbraw/zinc/00/14/31/1285001431.db2.gz LQBKDGRQTOSSED-MJGOQNOKSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213345 1285001708 /nfs/dbraw/zinc/00/17/08/1285001708.db2.gz LQBKDGRQTOSSED-HKUYNNGSSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417194 1285043836 /nfs/dbraw/zinc/04/38/36/1285043836.db2.gz MEXFQBIWFPFBAU-SFHLNBCPSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133250084 1285053911 /nfs/dbraw/zinc/05/39/11/1285053911.db2.gz PNYYLGBEWBZNQA-FXAWDEMLSA-N 2 0 347.547 2.759 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133237420 1285061538 /nfs/dbraw/zinc/06/15/38/1285061538.db2.gz CSOLVCMRVXVTLY-WOJBJXKFSA-N 2 0 349.563 2.986 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133314199 1285196515 /nfs/dbraw/zinc/19/65/15/1285196515.db2.gz MGCRILQPUJQIPL-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133334000 1285210263 /nfs/dbraw/zinc/21/02/63/1285210263.db2.gz PPGDHEOKRCQYJF-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133337236 1285214836 /nfs/dbraw/zinc/21/48/36/1285214836.db2.gz KNMAYDXLHWDUFL-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133337235 1285215230 /nfs/dbraw/zinc/21/52/30/1285215230.db2.gz KNMAYDXLHWDUFL-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133338237 1285217712 /nfs/dbraw/zinc/21/77/12/1285217712.db2.gz UHFSPPPNJJBVGY-WBVHZDCISA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001133399395 1285324152 /nfs/dbraw/zinc/32/41/52/1285324152.db2.gz LZVWPERXLURFCW-SFHVURJKSA-N 2 0 349.906 2.929 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094549265 1285355870 /nfs/dbraw/zinc/35/58/70/1285355870.db2.gz DOVLCXNUMOLJCP-UYAOXDASSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C)CC1 ZINC001133403919 1285356569 /nfs/dbraw/zinc/35/65/69/1285356569.db2.gz PHUXFPQTSBFQEP-UHFFFAOYSA-N 2 0 349.906 2.786 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C(C)C ZINC001133410397 1285369742 /nfs/dbraw/zinc/36/97/42/1285369742.db2.gz CSPYZHXHUNWLJR-UHFFFAOYSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)C(C)C ZINC001133410699 1285372415 /nfs/dbraw/zinc/37/24/15/1285372415.db2.gz VXUSFXAXPVQTBQ-UHFFFAOYSA-N 2 0 337.895 2.784 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902615 1285382293 /nfs/dbraw/zinc/38/22/93/1285382293.db2.gz NAUKXXXOKZTSEQ-PMACEKPBSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902618 1285382893 /nfs/dbraw/zinc/38/28/93/1285382893.db2.gz NAUKXXXOKZTSEQ-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903101 1285384219 /nfs/dbraw/zinc/38/42/19/1285384219.db2.gz VOPCOCFVGGXIQZ-QUCCMNQESA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036903099 1285384771 /nfs/dbraw/zinc/38/47/71/1285384771.db2.gz VOPCOCFVGGXIQZ-AZUAARDMSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585402 1285418393 /nfs/dbraw/zinc/41/83/93/1285418393.db2.gz VDCWZLKDKGYRBK-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001171508874 1285615327 /nfs/dbraw/zinc/61/53/27/1285615327.db2.gz JFXWSJBXIPLOGO-MRXNPFEDSA-N 2 0 341.927 2.880 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171630244 1285663072 /nfs/dbraw/zinc/66/30/72/1285663072.db2.gz ZJVREADYSWVJNW-OAHLLOKOSA-N 2 0 326.444 2.544 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001179026213 1289022178 /nfs/dbraw/zinc/02/21/78/1289022178.db2.gz RCXRPHQZDKOLQW-UHFFFAOYSA-N 2 0 334.851 2.967 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618903 1285681040 /nfs/dbraw/zinc/68/10/40/1285681040.db2.gz NXNBEAKMPLOXTG-QGZVFWFLSA-N 2 0 335.536 2.927 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669557 1285704855 /nfs/dbraw/zinc/70/48/55/1285704855.db2.gz ZNYNMSROLRNFSY-HNNXBMFYSA-N 2 0 327.900 2.632 20 30 EFEDRP COCCC[NH+]1CCC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001172243990 1286075883 /nfs/dbraw/zinc/07/58/83/1286075883.db2.gz KJVGCTKIEYZGRH-UHFFFAOYSA-N 2 0 343.393 2.912 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001172299172 1286111811 /nfs/dbraw/zinc/11/18/11/1286111811.db2.gz IBYKGGHFRWSSKY-KRWDZBQOSA-N 2 0 334.467 2.920 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179145861 1289056325 /nfs/dbraw/zinc/05/63/25/1289056325.db2.gz BQCGYZNBQLYERV-MPGHIAIKSA-N 2 0 326.444 2.882 20 30 EFEDRP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001172482885 1286144317 /nfs/dbraw/zinc/14/43/17/1286144317.db2.gz ARKWNRBZIKHHNH-MISYRCLQSA-N 2 0 332.536 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086716639 1286281128 /nfs/dbraw/zinc/28/11/28/1286281128.db2.gz KGHOZHHDTWDKIF-YESZJQIVSA-N 2 0 341.927 2.591 20 30 EFEDRP COC(=O)[C@@H]1CCC[C@H](N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001172787322 1286281166 /nfs/dbraw/zinc/28/11/66/1286281166.db2.gz UFTNQDYNLUWBTR-MSOLQXFVSA-N 2 0 331.460 2.775 20 30 EFEDRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976940 1286363578 /nfs/dbraw/zinc/36/35/78/1286363578.db2.gz XQAOCRJPCHMYOX-GJZGRUSLSA-N 2 0 338.496 2.598 20 30 EFEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C[NH3+])C[C@H]1C#N ZINC001172981709 1286365256 /nfs/dbraw/zinc/36/52/56/1286365256.db2.gz NTVLKADNFQYBRJ-SJORKVTESA-N 2 0 344.459 2.527 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001095061308 1286470969 /nfs/dbraw/zinc/47/09/69/1286470969.db2.gz SZCAGYIGTQMMPW-UHOSZYNNSA-N 2 0 327.472 2.517 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001179234383 1289079414 /nfs/dbraw/zinc/07/94/14/1289079414.db2.gz MJGKQJPKHIQPQS-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP CCOC(=O)C[C@@H]1CC[C@@H](N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)C1 ZINC001173635416 1286732459 /nfs/dbraw/zinc/73/24/59/1286732459.db2.gz AERVGIMWWRQJQT-CRAIPNDOSA-N 2 0 331.460 2.775 20 30 EFEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCN(CC(F)(F)F)CC1 ZINC001173668175 1286745188 /nfs/dbraw/zinc/74/51/88/1286745188.db2.gz VGRWQKJFIVGILV-UHFFFAOYSA-N 2 0 342.409 2.680 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179400364 1289122479 /nfs/dbraw/zinc/12/24/79/1289122479.db2.gz MLTLPDGTJXQQDL-UHFFFAOYSA-N 2 0 348.329 2.503 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773690 1287171265 /nfs/dbraw/zinc/17/12/65/1287171265.db2.gz QLKQSZXOTSNQSV-HZPDHXFCSA-N 2 0 344.503 2.661 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773692 1287171355 /nfs/dbraw/zinc/17/13/55/1287171355.db2.gz QLKQSZXOTSNQSV-JKSUJKDBSA-N 2 0 344.503 2.661 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774255 1287171898 /nfs/dbraw/zinc/17/18/98/1287171898.db2.gz WWPJSWQRVWOBFT-CVEARBPZSA-N 2 0 344.503 2.661 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176284774 1287923594 /nfs/dbraw/zinc/92/35/94/1287923594.db2.gz KASNGEHGKVWSKG-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CC)CC1 ZINC001176737058 1288087462 /nfs/dbraw/zinc/08/74/62/1288087462.db2.gz GMBYKEAEKLQFDK-GHOSXJJBSA-N 2 0 347.547 2.953 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086739954 1288094520 /nfs/dbraw/zinc/09/45/20/1288094520.db2.gz BDEFKYUFTCAICV-BBWFWOEESA-N 2 0 341.927 2.734 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176752933 1288119694 /nfs/dbraw/zinc/11/96/94/1288119694.db2.gz BFOJHGXUCUXSAZ-RTBURBONSA-N 2 0 335.536 2.785 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176754825 1288120099 /nfs/dbraw/zinc/12/00/99/1288120099.db2.gz ZDFDWFZCZYINHT-OALUTQOASA-N 2 0 335.536 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728395 1312671396 /nfs/dbraw/zinc/67/13/96/1312671396.db2.gz QRMVMVQSQJXSLX-HZPDHXFCSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317887 1288386201 /nfs/dbraw/zinc/38/62/01/1288386201.db2.gz KTMPGWFECNNSGS-UHFFFAOYSA-N 2 0 327.856 2.583 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001177319311 1288387126 /nfs/dbraw/zinc/38/71/26/1288387126.db2.gz HJWAUQNJEZWXGB-FQEVSTJZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001177319312 1288387599 /nfs/dbraw/zinc/38/75/99/1288387599.db2.gz HJWAUQNJEZWXGB-HXUWFJFHSA-N 2 0 347.547 2.903 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001177341732 1288400481 /nfs/dbraw/zinc/40/04/81/1288400481.db2.gz BHOHOUPWYREGDO-IBGZPJMESA-N 2 0 335.536 2.594 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177348163 1288413259 /nfs/dbraw/zinc/41/32/59/1288413259.db2.gz AVAYUGUFZITVED-WOJBJXKFSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001177408499 1288420515 /nfs/dbraw/zinc/42/05/15/1288420515.db2.gz BHOHOUPWYREGDO-LJQANCHMSA-N 2 0 335.536 2.594 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001177415548 1288423760 /nfs/dbraw/zinc/42/37/60/1288423760.db2.gz BWOOHZQGBPBXFQ-SFHVURJKSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)c1c[nH+]ccc1N(C)C ZINC001177463279 1288429863 /nfs/dbraw/zinc/42/98/63/1288429863.db2.gz XEWRNUAUPMIXLT-UHFFFAOYSA-N 2 0 344.503 2.946 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001177437133 1288441039 /nfs/dbraw/zinc/44/10/39/1288441039.db2.gz MYPNLAVWYDOYOW-INIZCTEOSA-N 2 0 332.492 2.773 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001177484592 1288445854 /nfs/dbraw/zinc/44/58/54/1288445854.db2.gz GPUBFYKKGMTEFT-RTBURBONSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001177485260 1288446386 /nfs/dbraw/zinc/44/63/86/1288446386.db2.gz UNYMSOXAFMEGHO-UHFFFAOYSA-N 2 0 347.547 2.884 20 30 EFEDRP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477793 1288464365 /nfs/dbraw/zinc/46/43/65/1288464365.db2.gz MIINUDXIPHHMGI-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165736112 1312672797 /nfs/dbraw/zinc/67/27/97/1312672797.db2.gz HRVLZOQUKKYMHE-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cn1 ZINC001135915844 1288594716 /nfs/dbraw/zinc/59/47/16/1288594716.db2.gz CTXAKQLPHNMBAR-KGLIPLIRSA-N 2 0 347.850 2.506 20 30 EFEDRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135966195 1288689190 /nfs/dbraw/zinc/68/91/90/1288689190.db2.gz KLUPKNPZPWMHFA-SJORKVTESA-N 2 0 344.503 2.663 20 30 EFEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135960637 1288701371 /nfs/dbraw/zinc/70/13/71/1288701371.db2.gz FQEDLLNLUBNVCL-RBUKOAKNSA-N 2 0 343.515 2.643 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001178490416 1288802080 /nfs/dbraw/zinc/80/20/80/1288802080.db2.gz NBFJUGVEUZQNEX-LJQANCHMSA-N 2 0 347.547 2.931 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)CCC=C ZINC001178722874 1288868056 /nfs/dbraw/zinc/86/80/56/1288868056.db2.gz RWRBJAXDYQOLAY-OALUTQOASA-N 2 0 333.520 2.705 20 30 EFEDRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001178816189 1288946158 /nfs/dbraw/zinc/94/61/58/1288946158.db2.gz WAYMKDXPEDWJOT-LJQANCHMSA-N 2 0 344.503 2.665 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001178902720 1288975190 /nfs/dbraw/zinc/97/51/90/1288975190.db2.gz DJDDSZVIPVMVIV-UHFFFAOYSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179720115 1289244381 /nfs/dbraw/zinc/24/43/81/1289244381.db2.gz YSSISSMPOMXEMW-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001179991832 1289356794 /nfs/dbraw/zinc/35/67/94/1289356794.db2.gz AUEBZORZDXUOIL-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926778 1312705457 /nfs/dbraw/zinc/70/54/57/1312705457.db2.gz CLFKBQQWGIKHIF-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165927123 1312706226 /nfs/dbraw/zinc/70/62/26/1312706226.db2.gz RJXGJDVDDBXWLO-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCC(=C)C)CC1 ZINC001180360281 1289495082 /nfs/dbraw/zinc/49/50/82/1289495082.db2.gz BQIOYNSVEGBQRR-UHFFFAOYSA-N 2 0 333.520 2.564 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[NH+]1CCCCC1 ZINC001180360282 1289495368 /nfs/dbraw/zinc/49/53/68/1289495368.db2.gz BRINLUYPLUEDOZ-UHFFFAOYSA-N 2 0 329.916 2.881 20 30 EFEDRP N#Cc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232477698 1312713052 /nfs/dbraw/zinc/71/30/52/1312713052.db2.gz FFQGKGIRVOTVTQ-UHFFFAOYSA-N 2 0 347.466 2.836 20 30 EFEDRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(OCC#N)cc1 ZINC000873246155 1289680693 /nfs/dbraw/zinc/68/06/93/1289680693.db2.gz SJJJOCZGANZNHX-OAHLLOKOSA-N 2 0 337.427 2.567 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290982 1289706374 /nfs/dbraw/zinc/70/63/74/1289706374.db2.gz HMYTYJHCVZQJMP-PKOBYXMFSA-N 2 0 325.456 2.684 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181442115 1289808677 /nfs/dbraw/zinc/80/86/77/1289808677.db2.gz XUWIGFWOWSUGEI-QWFCFKBJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCOc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204302336 1289899510 /nfs/dbraw/zinc/89/95/10/1289899510.db2.gz IATSIJBNCPTBAU-UHFFFAOYSA-N 2 0 343.515 2.711 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720702 1289914972 /nfs/dbraw/zinc/91/49/72/1289914972.db2.gz NBHTYAHPHLYTDR-QWFCFKBJSA-N 2 0 335.536 2.615 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)CCC=C)C1 ZINC001181763217 1289932926 /nfs/dbraw/zinc/93/29/26/1289932926.db2.gz CQEDYGAEOOVNIS-WERVVEIQSA-N 2 0 345.531 2.513 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc[nH+]cc4)C[C@H]3CC2)cc1C#N ZINC001277693748 1312750067 /nfs/dbraw/zinc/75/00/67/1312750067.db2.gz KWHMUCZBZHBOBW-HDICACEKSA-N 2 0 335.455 2.640 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001182018391 1290061493 /nfs/dbraw/zinc/06/14/93/1290061493.db2.gz IKUXFUJAUFULGC-DNVCBOLYSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182116270 1290077281 /nfs/dbraw/zinc/07/72/81/1290077281.db2.gz LSNFJXIIEJOJHX-OXQOHEQNSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182402310 1290181983 /nfs/dbraw/zinc/18/19/83/1290181983.db2.gz ULUMKSZDHGZRIN-DNVCBOLYSA-N 2 0 333.476 2.605 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166380772 1312769386 /nfs/dbraw/zinc/76/93/86/1312769386.db2.gz JWCKNXUBDIMOGC-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166389121 1312769541 /nfs/dbraw/zinc/76/95/41/1312769541.db2.gz BJWMVZGDNVZLSD-GOSISDBHSA-N 2 0 333.520 2.703 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166391275 1312770157 /nfs/dbraw/zinc/77/01/57/1312770157.db2.gz QXPKOKIECBTBPW-GOSISDBHSA-N 2 0 333.520 2.703 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCCC)C2)CC1 ZINC001183496906 1290357089 /nfs/dbraw/zinc/35/70/89/1290357089.db2.gz QGTDNOSWCVSMRR-WIYYLYMNSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001183563279 1290362901 /nfs/dbraw/zinc/36/29/01/1290362901.db2.gz PMAMGJKQDZDVPN-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001184723637 1290503827 /nfs/dbraw/zinc/50/38/27/1290503827.db2.gz JIWNOJUCITYRRK-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001184736427 1290508469 /nfs/dbraw/zinc/50/84/69/1290508469.db2.gz UIUOZTABHUDJBQ-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185681211 1290734664 /nfs/dbraw/zinc/73/46/64/1290734664.db2.gz JYKNDXCDKHCNHW-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185727770 1290752444 /nfs/dbraw/zinc/75/24/44/1290752444.db2.gz BZTQALCOWSTYPX-WBVHZDCISA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001185741059 1290754347 /nfs/dbraw/zinc/75/43/47/1290754347.db2.gz GUWCVZHROBSIRL-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001185770430 1290759691 /nfs/dbraw/zinc/75/96/91/1290759691.db2.gz HTTDRQCKGWCPMU-DLBZAZTESA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169020 1291112024 /nfs/dbraw/zinc/11/20/24/1291112024.db2.gz NUNYMAJOLUABRA-ROUUACIJSA-N 2 0 338.455 2.931 20 30 EFEDRP CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233082995 1312852406 /nfs/dbraw/zinc/85/24/06/1312852406.db2.gz OCNQVGGIEYCNEN-HXUWFJFHSA-N 2 0 327.472 2.942 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)[C@@H]2C1 ZINC001189276197 1291662938 /nfs/dbraw/zinc/66/29/38/1291662938.db2.gz HTAUEXNXZCQZCI-FGTMMUONSA-N 2 0 344.503 2.894 20 30 EFEDRP CCCCCCC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166924339 1312867951 /nfs/dbraw/zinc/86/79/51/1312867951.db2.gz KHUYNLPBTPZSQA-GOSISDBHSA-N 2 0 341.540 2.554 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189426287 1291721873 /nfs/dbraw/zinc/72/18/73/1291721873.db2.gz UKIJTZYDRIPCRL-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957545080 1291739126 /nfs/dbraw/zinc/73/91/26/1291739126.db2.gz GPOQPTNBPFJLAI-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550125 1291747782 /nfs/dbraw/zinc/74/77/82/1291747782.db2.gz KNYBCADEXGYJHT-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC000957559135 1291764535 /nfs/dbraw/zinc/76/45/35/1291764535.db2.gz CVXULDXCMUEXDE-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC000957568619 1291780204 /nfs/dbraw/zinc/78/02/04/1291780204.db2.gz NFXQZFQZEVOENV-GOSISDBHSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)CC1 ZINC000957573416 1291785938 /nfs/dbraw/zinc/78/59/38/1291785938.db2.gz XEXHHYFVMHSQAR-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N(C)CC[NH+](CC)CC ZINC001277780036 1312881942 /nfs/dbraw/zinc/88/19/42/1312881942.db2.gz ZIBCMSXQPJMIDW-YDZRNGNQSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593429 1291832422 /nfs/dbraw/zinc/83/24/22/1291832422.db2.gz XNLYEFIGWHZBMZ-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)CC1 ZINC000957617491 1291891015 /nfs/dbraw/zinc/89/10/15/1291891015.db2.gz NMVMZLXVCTZTMM-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957626123 1291911900 /nfs/dbraw/zinc/91/19/00/1291911900.db2.gz FPEKDHMYNGZEAV-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633732 1291928992 /nfs/dbraw/zinc/92/89/92/1291928992.db2.gz MKEDLWLFJUWEOO-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000957635954 1291934784 /nfs/dbraw/zinc/93/47/84/1291934784.db2.gz PLUIDLAUPOYMFG-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001016630946 1312891307 /nfs/dbraw/zinc/89/13/07/1312891307.db2.gz LRFGDLQFIMMQON-RCCFBDPRSA-N 2 0 333.520 2.654 20 30 EFEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221458 1292050359 /nfs/dbraw/zinc/05/03/59/1292050359.db2.gz AQVVFKYFYUYZMT-RTBURBONSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247077 1292077832 /nfs/dbraw/zinc/07/78/32/1292077832.db2.gz KJSQGCZVSYIXGY-CEXWTWQISA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325120 1292117378 /nfs/dbraw/zinc/11/73/78/1292117378.db2.gz RXWQSEAFISKMIX-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325101 1292117546 /nfs/dbraw/zinc/11/75/46/1292117546.db2.gz REAKXJZPNBOKNI-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016654654 1312906498 /nfs/dbraw/zinc/90/64/98/1312906498.db2.gz IQCICFFQGUQYIQ-ROUUACIJSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190480575 1292177135 /nfs/dbraw/zinc/17/71/35/1292177135.db2.gz CYFUGVYZCXOWDG-FGTMMUONSA-N 2 0 330.476 2.551 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479049 1312908297 /nfs/dbraw/zinc/90/82/97/1312908297.db2.gz XHONWSADRQKUNU-QZTJIDSGSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656569 1292270819 /nfs/dbraw/zinc/27/08/19/1292270819.db2.gz VDRUTWPWRXBEDV-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656568 1292271046 /nfs/dbraw/zinc/27/10/46/1292271046.db2.gz VDRUTWPWRXBEDV-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656566 1292271408 /nfs/dbraw/zinc/27/14/08/1292271408.db2.gz VDRUTWPWRXBEDV-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001191010831 1292423397 /nfs/dbraw/zinc/42/33/97/1292423397.db2.gz QSRYIZWKAWNOQJ-ZWKOTPCHSA-N 2 0 346.519 2.949 20 30 EFEDRP CCCCCCCNC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001191102113 1292465322 /nfs/dbraw/zinc/46/53/22/1292465322.db2.gz ZPCGMXXWWAOWDH-UHFFFAOYSA-N 2 0 338.540 2.626 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191987002 1292729150 /nfs/dbraw/zinc/72/91/50/1292729150.db2.gz CAZNIPDJUMXVCT-DOTOQJQBSA-N 2 0 333.476 2.842 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191987006 1292729413 /nfs/dbraw/zinc/72/94/13/1292729413.db2.gz CAZNIPDJUMXVCT-RDJZCZTQSA-N 2 0 333.476 2.842 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049515937 1312952661 /nfs/dbraw/zinc/95/26/61/1312952661.db2.gz WWDUMLNSRPLUPT-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016739447 1312952997 /nfs/dbraw/zinc/95/29/97/1312952997.db2.gz ZTGOEAULMFCTQT-INIZCTEOSA-N 2 0 344.846 2.671 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203557812 1312955762 /nfs/dbraw/zinc/95/57/62/1312955762.db2.gz PVTGGQYRGDMCNX-QZTJIDSGSA-N 2 0 333.520 2.700 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049519701 1312959007 /nfs/dbraw/zinc/95/90/07/1312959007.db2.gz AQIVFLGILBCQOJ-GBESFXJTSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049524473 1312965823 /nfs/dbraw/zinc/96/58/23/1312965823.db2.gz MDHXFYZALMGLCB-GUDVDZBRSA-N 2 0 333.520 2.891 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203606756 1312969668 /nfs/dbraw/zinc/96/96/68/1312969668.db2.gz QOYLXNNCEAAROW-RTBURBONSA-N 2 0 347.547 2.929 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616290 1312972043 /nfs/dbraw/zinc/97/20/43/1312972043.db2.gz YANCSIOATATHNB-ROUUACIJSA-N 2 0 342.487 2.744 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844763 1293079854 /nfs/dbraw/zinc/07/98/54/1293079854.db2.gz ATHVKDDTZHATOI-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192904607 1293093743 /nfs/dbraw/zinc/09/37/43/1293093743.db2.gz BCMNCJGTJDHYSH-MRXNPFEDSA-N 2 0 329.916 2.784 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049536434 1312979262 /nfs/dbraw/zinc/97/92/62/1312979262.db2.gz NQJJVIBJMQXIIR-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788498 1312980202 /nfs/dbraw/zinc/98/02/02/1312980202.db2.gz ZGVGROGULYQXJH-OALUTQOASA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788750 1312981060 /nfs/dbraw/zinc/98/10/60/1312981060.db2.gz CNFFQSXIDDINJW-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383305 1293284584 /nfs/dbraw/zinc/28/45/84/1293284584.db2.gz RTVMCWYUSIRQAB-YLJYHZDGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399045 1293287922 /nfs/dbraw/zinc/28/79/22/1293287922.db2.gz LLKQJOXENVLRNW-PZJWPPBQSA-N 2 0 343.515 2.962 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399044 1293288001 /nfs/dbraw/zinc/28/80/01/1293288001.db2.gz LLKQJOXENVLRNW-FPOVZHCZSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408892 1293296293 /nfs/dbraw/zinc/29/62/93/1293296293.db2.gz RWEDVTOAQUTDMR-CTNGQTDRSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408895 1293296389 /nfs/dbraw/zinc/29/63/89/1293296389.db2.gz RWEDVTOAQUTDMR-TZIWHRDSSA-N 2 0 343.515 2.962 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546213 1312993504 /nfs/dbraw/zinc/99/35/04/1312993504.db2.gz PNNXJGZRKIYTNV-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245973 1293568465 /nfs/dbraw/zinc/56/84/65/1293568465.db2.gz HUVAGHHXKZWAQQ-SFHVURJKSA-N 2 0 329.488 2.861 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H](C)CC(C)C)C2)CC1 ZINC001194247581 1293569406 /nfs/dbraw/zinc/56/94/06/1293569406.db2.gz XZZKGBOFHYPQCE-AZUAARDMSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203773353 1313011357 /nfs/dbraw/zinc/01/13/57/1313011357.db2.gz VWDLZJOBQQIVOF-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772763 1313011415 /nfs/dbraw/zinc/01/14/15/1313011415.db2.gz SUZCAEVXCIAEMG-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203773354 1313011846 /nfs/dbraw/zinc/01/18/46/1313011846.db2.gz VWDLZJOBQQIVOF-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001016861009 1313015303 /nfs/dbraw/zinc/01/53/03/1313015303.db2.gz MJFPZOJOMWMCJN-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049563789 1313023012 /nfs/dbraw/zinc/02/30/12/1313023012.db2.gz DKKXUZHDSCGXKG-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916232 1313041563 /nfs/dbraw/zinc/04/15/63/1313041563.db2.gz MABQLVRCABOCML-IBGZPJMESA-N 2 0 345.531 2.655 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195901006 1294062714 /nfs/dbraw/zinc/06/27/14/1294062714.db2.gz UAJROMPCUKNVMX-QGZVFWFLSA-N 2 0 332.492 2.897 20 30 EFEDRP C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711848 1294129460 /nfs/dbraw/zinc/12/94/60/1294129460.db2.gz KVICXQDSVVBYRM-FQEVSTJZSA-N 2 0 327.472 2.505 20 30 EFEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001196309942 1294186668 /nfs/dbraw/zinc/18/66/68/1294186668.db2.gz KCAAFDAVNCICGV-SFHVURJKSA-N 2 0 344.503 2.726 20 30 EFEDRP C=C(Cl)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589697 1313058809 /nfs/dbraw/zinc/05/88/09/1313058809.db2.gz AWCPEWUGSPXKSJ-SJORKVTESA-N 2 0 344.846 2.766 20 30 EFEDRP C=CCCC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001197158167 1294470442 /nfs/dbraw/zinc/47/04/42/1294470442.db2.gz JXXKVIZDQBIXGX-IBGZPJMESA-N 2 0 339.499 2.699 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N2CCSCC2)cc1 ZINC000303774999 1294577761 /nfs/dbraw/zinc/57/77/61/1294577761.db2.gz GLTAIHCRQIKLEG-MRXNPFEDSA-N 2 0 346.544 2.925 20 30 EFEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCC1 ZINC000303778396 1294580463 /nfs/dbraw/zinc/58/04/63/1294580463.db2.gz JSPIOSHQTJLDMK-MRXNPFEDSA-N 2 0 346.475 2.695 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](CC(C)C)[NH+]2CCCC2)c1 ZINC000303789929 1294580904 /nfs/dbraw/zinc/58/09/04/1294580904.db2.gz VWMQNAQSGOMIJI-HNNXBMFYSA-N 2 0 348.491 2.941 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2cc(OC)ccc2c1 ZINC000303791176 1294582974 /nfs/dbraw/zinc/58/29/74/1294582974.db2.gz XCMSGHHCQCJKCU-SFHVURJKSA-N 2 0 340.471 2.737 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CC[NH+](CC)CC2)cc1 ZINC000303874792 1294593820 /nfs/dbraw/zinc/59/38/20/1294593820.db2.gz DBSSXLWKNNCWDW-INIZCTEOSA-N 2 0 331.508 2.564 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2CC[NH+](C)CC2)c1 ZINC000303872346 1294593836 /nfs/dbraw/zinc/59/38/36/1294593836.db2.gz GIEOJQJVGLRZTD-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C[C@H](C)O1 ZINC000303879977 1294594217 /nfs/dbraw/zinc/59/42/17/1294594217.db2.gz GVIQWDZTCIFENW-CALCHBBNSA-N 2 0 344.503 2.596 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000303881117 1294596263 /nfs/dbraw/zinc/59/62/63/1294596263.db2.gz KQSIBAOXMKCHDD-DLBZAZTESA-N 2 0 345.535 2.810 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000303893167 1294599146 /nfs/dbraw/zinc/59/91/46/1294599146.db2.gz RSTRNUQXPKXJJN-OAHLLOKOSA-N 2 0 346.475 2.697 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC000303898714 1294599670 /nfs/dbraw/zinc/59/96/70/1294599670.db2.gz VQOYFMBXCIMDSS-IFXJQAMLSA-N 2 0 348.491 2.941 20 30 EFEDRP CN(CCC#N)c1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001276359099 1294609770 /nfs/dbraw/zinc/60/97/70/1294609770.db2.gz GEAHBPRJCYRWQP-UHFFFAOYSA-N 2 0 326.488 2.954 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000303969714 1294611439 /nfs/dbraw/zinc/61/14/39/1294611439.db2.gz CAAJFBSLAMEKBH-UHFFFAOYSA-N 2 0 346.519 2.894 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000303978194 1294613763 /nfs/dbraw/zinc/61/37/63/1294613763.db2.gz MCDUUXNOHUJUTE-UHFFFAOYSA-N 2 0 346.519 2.749 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615563 1313089242 /nfs/dbraw/zinc/08/92/42/1313089242.db2.gz LKZSVLCILFZCQK-XUVXKRRUSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615587 1313089741 /nfs/dbraw/zinc/08/97/41/1313089741.db2.gz LVBHONLXDKCDFK-OTWHNJEPSA-N 2 0 331.504 2.502 20 30 EFEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276457173 1313127174 /nfs/dbraw/zinc/12/71/74/1313127174.db2.gz IPQUAJOGFCIJKL-SWLLKCQXSA-N 2 0 337.552 2.850 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1OC ZINC001198759962 1295236690 /nfs/dbraw/zinc/23/66/90/1295236690.db2.gz NZPVRZQBPKXPAH-QGZVFWFLSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1OC ZINC001198759975 1295237354 /nfs/dbraw/zinc/23/73/54/1295237354.db2.gz OFJILMOQRPPJTH-GOSISDBHSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198776769 1295247767 /nfs/dbraw/zinc/24/77/67/1295247767.db2.gz UFWUFGUJFKOEPF-ZWKOTPCHSA-N 2 0 345.487 2.503 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000104162907 1295732149 /nfs/dbraw/zinc/73/21/49/1295732149.db2.gz DRJKITIZBCEIFB-MRXNPFEDSA-N 2 0 346.544 2.782 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000104162909 1295732591 /nfs/dbraw/zinc/73/25/91/1295732591.db2.gz DRJKITIZBCEIFB-INIZCTEOSA-N 2 0 346.544 2.782 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000104181516 1295733614 /nfs/dbraw/zinc/73/36/14/1295733614.db2.gz IBIBJCNPELEGSG-OAHLLOKOSA-N 2 0 346.475 2.695 20 30 EFEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])NCC2CCC2)CCOCC1)c1ccccc1 ZINC000304759625 1295751282 /nfs/dbraw/zinc/75/12/82/1295751282.db2.gz RJFYBXGJJQVYMO-INIZCTEOSA-N 2 0 344.503 2.591 20 30 EFEDRP C[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C[NH+]1CCOCC1 ZINC000304762932 1295755347 /nfs/dbraw/zinc/75/53/47/1295755347.db2.gz WFNCEZVSHHGOIS-GOSISDBHSA-N 2 0 344.503 2.909 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC1(C)CC[NH2+]CC1)CC2 ZINC001204847736 1313202611 /nfs/dbraw/zinc/20/26/11/1313202611.db2.gz FSHFSRKFWUAYFO-UHFFFAOYSA-N 2 0 349.519 2.877 20 30 EFEDRP CCCCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275131813 1296234694 /nfs/dbraw/zinc/23/46/94/1296234694.db2.gz JLFSGYFFBURVQF-MOPGFXCFSA-N 2 0 325.541 2.684 20 30 EFEDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001275969042 1296464773 /nfs/dbraw/zinc/46/47/73/1296464773.db2.gz XWBGNZFVCFJSMT-UHFFFAOYSA-N 2 0 340.515 2.798 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001201052598 1296565846 /nfs/dbraw/zinc/56/58/46/1296565846.db2.gz GPSYZOHDHRFQTO-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767104 1313277160 /nfs/dbraw/zinc/27/71/60/1313277160.db2.gz NNVXLKFUZKMTCF-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001205415966 1313284834 /nfs/dbraw/zinc/28/48/34/1313284834.db2.gz RWSLBPJJSCJDCN-FUHWJXTLSA-N 2 0 341.515 2.849 20 30 EFEDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(C#N)c3)(C1)CCC2 ZINC001276242286 1296672646 /nfs/dbraw/zinc/67/26/46/1296672646.db2.gz JJMADHDNQODSCU-VQTJNVASSA-N 2 0 344.478 2.784 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000960270675 1296678911 /nfs/dbraw/zinc/67/89/11/1296678911.db2.gz HWLMHMGAPYWRRF-MISYRCLQSA-N 2 0 341.499 2.522 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205445886 1313290368 /nfs/dbraw/zinc/29/03/68/1313290368.db2.gz PCKVQONFMKBOBF-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960303228 1296720680 /nfs/dbraw/zinc/72/06/80/1296720680.db2.gz DCUYSBFTYOJVAM-UYAOXDASSA-N 2 0 341.499 2.666 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000960309552 1296724404 /nfs/dbraw/zinc/72/44/04/1296724404.db2.gz AWMHDZWRFUEUAI-HSALFYBXSA-N 2 0 341.499 2.807 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000960334504 1296758510 /nfs/dbraw/zinc/75/85/10/1296758510.db2.gz RMFJOPIFYHJNAA-NHCUHLMSSA-N 2 0 349.478 2.920 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000960333766 1296758846 /nfs/dbraw/zinc/75/88/46/1296758846.db2.gz MDXNGYCSBHJRJB-NHCUHLMSSA-N 2 0 349.478 2.920 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001201379102 1296770293 /nfs/dbraw/zinc/77/02/93/1296770293.db2.gz WCNHQNIELKFQDK-QGZVFWFLSA-N 2 0 344.503 2.843 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789040 1313302669 /nfs/dbraw/zinc/30/26/69/1313302669.db2.gz UYNDZQKGWYTGRZ-OALUTQOASA-N 2 0 327.472 2.613 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201411038 1296783577 /nfs/dbraw/zinc/78/35/77/1296783577.db2.gz NDOPRWBAWIIGRS-ROUUACIJSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001201462078 1296827381 /nfs/dbraw/zinc/82/73/81/1296827381.db2.gz JGKZNZYDKPYPND-OAHLLOKOSA-N 2 0 326.444 2.883 20 30 EFEDRP N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205571598 1313314757 /nfs/dbraw/zinc/31/47/57/1313314757.db2.gz VUXPDIOLHCYEFB-HNNXBMFYSA-N 2 0 340.240 2.974 20 30 EFEDRP N#Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1Br ZINC001205581509 1313317061 /nfs/dbraw/zinc/31/70/61/1313317061.db2.gz UWQXVVBTQRIJNO-HNNXBMFYSA-N 2 0 340.240 2.974 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594035 1313319774 /nfs/dbraw/zinc/31/97/74/1313319774.db2.gz IUCCUCCSTLBHLN-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625555 1313325948 /nfs/dbraw/zinc/32/59/48/1313325948.db2.gz VZWOHKRNPSVMLP-UHFFFAOYSA-N 2 0 332.835 2.529 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3onc(C(C)(C)C)c3C#N)cc[nH+]2)CC1 ZINC001201656801 1297003269 /nfs/dbraw/zinc/00/32/69/1297003269.db2.gz ZYJDEJJRSRICBD-UHFFFAOYSA-N 2 0 340.431 2.734 20 30 EFEDRP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277947985 1313333218 /nfs/dbraw/zinc/33/32/18/1313333218.db2.gz CUWJKSJOUZNPBI-UHFFFAOYSA-N 2 0 329.492 2.885 20 30 EFEDRP N#CCCCC[N@H+]1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001277949587 1313337640 /nfs/dbraw/zinc/33/76/40/1313337640.db2.gz YDJOCWUYRBOXBB-LJQANCHMSA-N 2 0 328.460 2.769 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049820901 1313342692 /nfs/dbraw/zinc/34/26/92/1313342692.db2.gz PKJIAOHPGHAKPJ-MOPGFXCFSA-N 2 0 333.520 2.748 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)cc(C#N)cc1F ZINC001235656361 1313368130 /nfs/dbraw/zinc/36/81/30/1313368130.db2.gz BHHGPOKRMUYEHP-UHFFFAOYSA-N 2 0 338.446 2.542 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839182 1313368695 /nfs/dbraw/zinc/36/86/95/1313368695.db2.gz BVGCELJMDDDTHF-UXHICEINSA-N 2 0 345.531 2.750 20 30 EFEDRP C#CCOc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1OC ZINC001235701940 1313380151 /nfs/dbraw/zinc/38/01/51/1313380151.db2.gz OTZJIAINROCPOK-UHFFFAOYSA-N 2 0 342.483 2.919 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206056707 1313398308 /nfs/dbraw/zinc/39/83/08/1313398308.db2.gz HBXYEDGTXMLFNC-UHFFFAOYSA-N 2 0 339.867 2.536 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206274247 1313429462 /nfs/dbraw/zinc/42/94/62/1313429462.db2.gz FWUJRVDECKOICH-SFHVURJKSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206287587 1313432277 /nfs/dbraw/zinc/43/22/77/1313432277.db2.gz FGKJHMJBUHRMRR-KRWDZBQOSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001206308028 1313433767 /nfs/dbraw/zinc/43/37/67/1313433767.db2.gz VHAQLRPFKSIIKM-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236076558 1313438503 /nfs/dbraw/zinc/43/85/03/1313438503.db2.gz BOARYJZUZZHPLL-HSZRJFAPSA-N 2 0 345.490 2.694 20 30 EFEDRP N#Cc1cccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c1 ZINC001236145286 1313446748 /nfs/dbraw/zinc/44/67/48/1313446748.db2.gz VCDVZSAAHLDAAS-UHFFFAOYSA-N 2 0 332.451 2.526 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655802 1313457671 /nfs/dbraw/zinc/45/76/71/1313457671.db2.gz KSTCLFBWLWBTCO-HDICACEKSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547028 1313473441 /nfs/dbraw/zinc/47/34/41/1313473441.db2.gz BSXVWGBEDIQJIH-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320562 1313468944 /nfs/dbraw/zinc/46/89/44/1313468944.db2.gz QJTKYYPRGMQFBD-OKILXGFUSA-N 2 0 334.261 2.752 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548483 1313474340 /nfs/dbraw/zinc/47/43/40/1313474340.db2.gz PXYXBUBGURWEMC-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913876 1313476241 /nfs/dbraw/zinc/47/62/41/1313476241.db2.gz JJACOIWBSRKABL-AQNXPRMDSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCCCCCC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400785 1313476559 /nfs/dbraw/zinc/47/65/59/1313476559.db2.gz ZFBFBLOEMARPAL-UHFFFAOYSA-N 2 0 337.552 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961184741 1298267218 /nfs/dbraw/zinc/26/72/18/1298267218.db2.gz OEPUKUDTZHAHDG-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188629 1298273014 /nfs/dbraw/zinc/27/30/14/1298273014.db2.gz VVZRZVCWLZZMND-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230169 1298373565 /nfs/dbraw/zinc/37/35/65/1298373565.db2.gz KPDZTPLTQAFKIB-RTBURBONSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259618 1298431131 /nfs/dbraw/zinc/43/11/31/1298431131.db2.gz ISFUWHYTDIBVRU-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292980 1298510297 /nfs/dbraw/zinc/51/02/97/1298510297.db2.gz LLJMWWGZDLAFFF-RBUKOAKNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000961365489 1298622032 /nfs/dbraw/zinc/62/20/32/1298622032.db2.gz DTNNGDBWZSJPDJ-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961372214 1298633582 /nfs/dbraw/zinc/63/35/82/1298633582.db2.gz JWJGUVREMGITMM-MISYRCLQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961372909 1298635226 /nfs/dbraw/zinc/63/52/26/1298635226.db2.gz FABTYHWPJJKRQP-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961376250 1298644059 /nfs/dbraw/zinc/64/40/59/1298644059.db2.gz RFTVCZNRADCMJT-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961402381 1298694153 /nfs/dbraw/zinc/69/41/53/1298694153.db2.gz RGYYSWSYKMSEBN-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961404134 1298697186 /nfs/dbraw/zinc/69/71/86/1298697186.db2.gz XNZMUJYKAXSIGW-WOJBJXKFSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961406996 1298702197 /nfs/dbraw/zinc/70/21/97/1298702197.db2.gz UKCJDJZZYXMSMP-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961412631 1298708340 /nfs/dbraw/zinc/70/83/40/1298708340.db2.gz UCPHZSAGVCOZFE-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432182 1298739369 /nfs/dbraw/zinc/73/93/69/1298739369.db2.gz PAJAMSLGEWDXFK-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000305775739 1298817400 /nfs/dbraw/zinc/81/74/00/1298817400.db2.gz NVUCDEAQXPPGHY-UHFFFAOYSA-N 2 0 346.519 2.654 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC#N)C3)c(F)c2)CC1 ZINC001236939651 1313557737 /nfs/dbraw/zinc/55/77/37/1313557737.db2.gz UAXBORJNHRYXGQ-MRXNPFEDSA-N 2 0 330.451 2.703 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC=C)C2)CC1 ZINC001490458393 1298935540 /nfs/dbraw/zinc/93/55/40/1298935540.db2.gz OTCDWCMFWXXIQU-FQEVSTJZSA-N 2 0 345.531 2.659 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+][C@H](C)CCC=C)CC2)CC1 ZINC001206949086 1313567218 /nfs/dbraw/zinc/56/72/18/1313567218.db2.gz PMEDEPDTAADEAC-GOSISDBHSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952277 1313568622 /nfs/dbraw/zinc/56/86/22/1313568622.db2.gz HSEBXQOMLKMADV-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952630 1313569096 /nfs/dbraw/zinc/56/90/96/1313569096.db2.gz XUEQNDJUTUAXNR-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952547 1313569292 /nfs/dbraw/zinc/56/92/92/1313569292.db2.gz UFPRENSBGBIDIB-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952631 1313569452 /nfs/dbraw/zinc/56/94/52/1313569452.db2.gz XUEQNDJUTUAXNR-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](CCC2CC2)C3)cc1C#N ZINC001276513254 1313631015 /nfs/dbraw/zinc/63/10/15/1313631015.db2.gz KUIOAHXPJLPZIR-HXUWFJFHSA-N 2 0 326.488 2.985 20 30 EFEDRP C=CCN(CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC001207203520 1313636680 /nfs/dbraw/zinc/63/66/80/1313636680.db2.gz HAZMPANYUZBOMS-UHFFFAOYSA-N 2 0 337.508 2.827 20 30 EFEDRP Cn1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2cc(C#N)ccc21 ZINC001237466960 1313651502 /nfs/dbraw/zinc/65/15/02/1313651502.db2.gz PKXPDFOTSGWZGO-UHFFFAOYSA-N 2 0 331.423 2.767 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(C#N)c(F)cc1F ZINC001237535131 1313661896 /nfs/dbraw/zinc/66/18/96/1313661896.db2.gz UEAXQUNSBKOKNL-UHFFFAOYSA-N 2 0 338.446 2.542 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207480150 1313696234 /nfs/dbraw/zinc/69/62/34/1313696234.db2.gz UZDRWYCTACYMKD-FQEVSTJZSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207482569 1313697753 /nfs/dbraw/zinc/69/77/53/1313697753.db2.gz OCNHFVGTAPNBSB-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314265 1300576986 /nfs/dbraw/zinc/57/69/86/1300576986.db2.gz KGHMRRFEPKNNSM-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348612 1300658706 /nfs/dbraw/zinc/65/87/06/1300658706.db2.gz ZOMNVAAKJDOAJW-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348614 1300659325 /nfs/dbraw/zinc/65/93/25/1300659325.db2.gz ZOMNVAAKJDOAJW-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358566 1300680709 /nfs/dbraw/zinc/68/07/09/1300680709.db2.gz UKFQXXJXZCFTHA-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358975 1300682423 /nfs/dbraw/zinc/68/24/23/1300682423.db2.gz ZOFMYQXQMADGCQ-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364389 1300694861 /nfs/dbraw/zinc/69/48/61/1300694861.db2.gz BYGHOSPXUZHCEX-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963383997 1300741401 /nfs/dbraw/zinc/74/14/01/1300741401.db2.gz PUNBBDGINUEKMZ-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389809 1300750968 /nfs/dbraw/zinc/75/09/68/1300750968.db2.gz GUNOABFWFDVJNO-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429141 1300834635 /nfs/dbraw/zinc/83/46/35/1300834635.db2.gz OOINNFYIRYFHQA-WOJBJXKFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000963729187 1301259628 /nfs/dbraw/zinc/25/96/28/1301259628.db2.gz YIODUXXYVRVTSD-ACBHZAAOSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000963808455 1301334515 /nfs/dbraw/zinc/33/45/15/1301334515.db2.gz HQBCBDIXQGVTLF-GUYFDXGHSA-N 2 0 345.531 2.844 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000963927244 1301485101 /nfs/dbraw/zinc/48/51/01/1301485101.db2.gz OQAVJVXYWGEZAL-LMBQMVEXSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000963927243 1301485258 /nfs/dbraw/zinc/48/52/58/1301485258.db2.gz OQAVJVXYWGEZAL-HVEGKCCWSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000964206761 1301695685 /nfs/dbraw/zinc/69/56/85/1301695685.db2.gz HIUQFPSINAWXJR-UHFFFAOYSA-N 2 0 330.476 2.697 20 30 EFEDRP Cn1cc(CN2CC[C@]3(C2)CCC[N@H+](CCCCF)C3)cc1C#N ZINC001278205411 1313786663 /nfs/dbraw/zinc/78/66/63/1313786663.db2.gz KWDNGKHLJRMHFD-LJQANCHMSA-N 2 0 332.467 2.934 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000964643324 1302122777 /nfs/dbraw/zinc/12/27/77/1302122777.db2.gz JAKOOQYVFZFAQL-HNSLBZJHSA-N 2 0 345.531 2.987 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000964645669 1302127016 /nfs/dbraw/zinc/12/70/16/1302127016.db2.gz YOAJLLJURWLALF-UFQJCFOOSA-N 2 0 333.520 2.702 20 30 EFEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063016 1313838614 /nfs/dbraw/zinc/83/86/14/1313838614.db2.gz JEACYJNHQVSIBQ-OALUTQOASA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208106269 1313847951 /nfs/dbraw/zinc/84/79/51/1313847951.db2.gz ASZZNMMJYMXBMD-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1(C)CC[NH+](C)CC1)CCO2 ZINC001208107121 1313848215 /nfs/dbraw/zinc/84/82/15/1313848215.db2.gz KLTIJQVDKNZISY-AZUAARDMSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001208186784 1313864264 /nfs/dbraw/zinc/86/42/64/1313864264.db2.gz YDIABTVQVHSSQP-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001208186785 1313864675 /nfs/dbraw/zinc/86/46/75/1313864675.db2.gz YDIABTVQVHSSQP-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208331038 1313901439 /nfs/dbraw/zinc/90/14/39/1313901439.db2.gz JSCPRKPGTUEFIY-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219249 1313914942 /nfs/dbraw/zinc/91/49/42/1313914942.db2.gz YFOYTXIBSHJJER-YRXWBPOGSA-N 2 0 331.504 2.691 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097220629 1313915175 /nfs/dbraw/zinc/91/51/75/1313915175.db2.gz WLKUNTIDYMFWKO-MKXGPGLRSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001037849171 1303616300 /nfs/dbraw/zinc/61/63/00/1303616300.db2.gz KFMYKTFQEFJEMT-GDBMZVCRSA-N 2 0 335.517 2.826 20 30 EFEDRP CCCCCCCCCCCCNC(=S)NCCNCC[NH3+] ZINC001239389525 1313931987 /nfs/dbraw/zinc/93/19/87/1313931987.db2.gz YBUIFEHVZPIGAM-UHFFFAOYSA-N 2 0 330.586 2.920 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001037877915 1304054947 /nfs/dbraw/zinc/05/49/47/1304054947.db2.gz FHZFOQFPCSVFAU-HZPDHXFCSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1CC ZINC001037883433 1304166385 /nfs/dbraw/zinc/16/63/85/1304166385.db2.gz BYGXWGXSVPSNBO-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1CC ZINC001037887424 1304254765 /nfs/dbraw/zinc/25/47/65/1304254765.db2.gz DUTIFPGQWDFFBA-MAUKXSAKSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1CC ZINC001037887426 1304255046 /nfs/dbraw/zinc/25/50/46/1304255046.db2.gz DUTIFPGQWDFFBA-YJBOKZPZSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904506 1304419750 /nfs/dbraw/zinc/41/97/50/1304419750.db2.gz QEDVUDKECPVQFX-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904507 1304419831 /nfs/dbraw/zinc/41/98/31/1304419831.db2.gz QEDVUDKECPVQFX-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208716048 1314001080 /nfs/dbraw/zinc/00/10/80/1314001080.db2.gz BOJOPTATZOCOHY-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264990 1304776311 /nfs/dbraw/zinc/77/63/11/1304776311.db2.gz RQLLMORHCFPPNX-MAUKXSAKSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208760166 1314010400 /nfs/dbraw/zinc/01/04/00/1314010400.db2.gz XJZYUVKJOBGZNC-MRXNPFEDSA-N 2 0 341.927 2.974 20 30 EFEDRP C[NH+]1CCC(Oc2ccnc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2)CC1 ZINC001240346156 1314022856 /nfs/dbraw/zinc/02/28/56/1314022856.db2.gz FQKDNPRZEMDNCC-UHFFFAOYSA-N 2 0 348.450 2.780 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425220 1304978637 /nfs/dbraw/zinc/97/86/37/1304978637.db2.gz YOPMAZXWBFWMCE-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1C(C)C ZINC001114903935 1305010224 /nfs/dbraw/zinc/01/02/24/1305010224.db2.gz LLMZIXLAYWFFHR-DZFIZOCASA-N 2 0 344.503 2.799 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001037946900 1305148220 /nfs/dbraw/zinc/14/82/20/1305148220.db2.gz JPVMPEYJWZIDIR-AZUAARDMSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725428 1305367205 /nfs/dbraw/zinc/36/72/05/1305367205.db2.gz SCIWNSLESBWUNB-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCN(CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C)C(=O)OCC ZINC001209020290 1314071863 /nfs/dbraw/zinc/07/18/63/1314071863.db2.gz FXYCUHWZCAICCC-ZWKOTPCHSA-N 2 0 337.508 2.970 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327804 1306137797 /nfs/dbraw/zinc/13/77/97/1306137797.db2.gz SJMIWHVUKPYYTG-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968525367 1306430942 /nfs/dbraw/zinc/43/09/42/1306430942.db2.gz QGCKNFMVBGVJTQ-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681096 1306562914 /nfs/dbraw/zinc/56/29/14/1306562914.db2.gz GRTNYVYBJUKNDI-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044658957 1306696491 /nfs/dbraw/zinc/69/64/91/1306696491.db2.gz MXAAHUVHTNYTMY-DZGCQCFKSA-N 2 0 332.835 2.670 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114926998 1306717504 /nfs/dbraw/zinc/71/75/04/1306717504.db2.gz GCBABZOFHOIPMU-RUYXUALKSA-N 2 0 335.536 2.735 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860052 1306730997 /nfs/dbraw/zinc/73/09/97/1306730997.db2.gz XIQTVVMCMGRPHG-AZUAARDMSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882309 1306754330 /nfs/dbraw/zinc/75/43/30/1306754330.db2.gz LJBGKCRBCPIQAJ-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887383 1306760381 /nfs/dbraw/zinc/76/03/81/1306760381.db2.gz CBHMJSWLDVDBEP-WOJBJXKFSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887863 1306761216 /nfs/dbraw/zinc/76/12/16/1306761216.db2.gz NZPRWNGKMXDYBL-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888746 1306763402 /nfs/dbraw/zinc/76/34/02/1306763402.db2.gz ZACCGSLFZFAIBH-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044745275 1306768214 /nfs/dbraw/zinc/76/82/14/1306768214.db2.gz STHOHMBPJWLNRE-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936703 1306816540 /nfs/dbraw/zinc/81/65/40/1306816540.db2.gz OGQQHJPKQDEULT-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058815 1306932084 /nfs/dbraw/zinc/93/20/84/1306932084.db2.gz AHIXHADOOGRINL-RTBURBONSA-N 2 0 333.520 2.633 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241899528 1314162457 /nfs/dbraw/zinc/16/24/57/1314162457.db2.gz HQPJMYZZAIJEFZ-FQEVSTJZSA-N 2 0 349.482 2.876 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020705 1307266457 /nfs/dbraw/zinc/26/64/57/1307266457.db2.gz QEPDLJNVBHSKHB-AABGKKOBSA-N 2 0 341.499 2.702 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001045437994 1307338340 /nfs/dbraw/zinc/33/83/40/1307338340.db2.gz IJEPDBOXYSWYQR-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345491 1307381966 /nfs/dbraw/zinc/38/19/66/1307381966.db2.gz RHLAACIBGDFQMS-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209640407 1314206466 /nfs/dbraw/zinc/20/64/66/1314206466.db2.gz BXXFSUACQFIEPF-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065302 1307793381 /nfs/dbraw/zinc/79/33/81/1307793381.db2.gz HYZINIJCTGVDKS-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209652169 1314210732 /nfs/dbraw/zinc/21/07/32/1314210732.db2.gz XVADZPSYKFYAPA-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939043 1307942209 /nfs/dbraw/zinc/94/22/09/1307942209.db2.gz SXOLLDHGTVEJNJ-SFHLNBCPSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938831 1307942311 /nfs/dbraw/zinc/94/23/11/1307942311.db2.gz MCFBYPDSKJCTPC-ZVDOUQERSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045942465 1307954145 /nfs/dbraw/zinc/95/41/45/1307954145.db2.gz YBKAMRIFOSZTKM-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942717 1307955029 /nfs/dbraw/zinc/95/50/29/1307955029.db2.gz XVGFEMLRTYCYRA-PZJWPPBQSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045942716 1307955678 /nfs/dbraw/zinc/95/56/78/1307955678.db2.gz XVGFEMLRTYCYRA-FPOVZHCZSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943892 1307959256 /nfs/dbraw/zinc/95/92/56/1307959256.db2.gz QVNYANRVSNOEJN-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945725 1307965411 /nfs/dbraw/zinc/96/54/11/1307965411.db2.gz YEOALKYVRNNVIY-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945723 1307965420 /nfs/dbraw/zinc/96/54/20/1307965420.db2.gz YDUZJHGHHOSHRA-ICSRJNTNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950513 1307979444 /nfs/dbraw/zinc/97/94/44/1307979444.db2.gz DRMMVKOROXNABN-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951062 1307980669 /nfs/dbraw/zinc/98/06/69/1307980669.db2.gz SPFQWHXCSHVVOR-HXUWFJFHSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953329 1307987197 /nfs/dbraw/zinc/98/71/97/1307987197.db2.gz YENGFOLUWHUPGM-FPOVZHCZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962716 1308013157 /nfs/dbraw/zinc/01/31/57/1308013157.db2.gz QTENFPGZUAXIOV-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045965047 1308017997 /nfs/dbraw/zinc/01/79/97/1308017997.db2.gz BRONPGHNGMABIL-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966392 1308022920 /nfs/dbraw/zinc/02/29/20/1308022920.db2.gz VGJQSUIENDUKKY-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970212 1308034752 /nfs/dbraw/zinc/03/47/52/1308034752.db2.gz CSNJENXVLXIORF-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045980096 1308065572 /nfs/dbraw/zinc/06/55/72/1308065572.db2.gz QSMZXWIUNZLJQP-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045981795 1308071998 /nfs/dbraw/zinc/07/19/98/1308071998.db2.gz GIMQAKFKGGSTRW-FQEVSTJZSA-N 2 0 344.503 2.931 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045985953 1308086124 /nfs/dbraw/zinc/08/61/24/1308086124.db2.gz FLZTYJRTIOEKAC-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986431 1308086402 /nfs/dbraw/zinc/08/64/02/1308086402.db2.gz QPVFMGMHEZWJHE-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319509 1308536950 /nfs/dbraw/zinc/53/69/50/1308536950.db2.gz SZKRGCFDNMSOAB-FXAWDEMLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619692 1308940685 /nfs/dbraw/zinc/94/06/85/1308940685.db2.gz YPSPGXUAMKBXDB-HXUWFJFHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701374 1314310739 /nfs/dbraw/zinc/31/07/39/1314310739.db2.gz FCLQZHFENHKVEX-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708490 1314314612 /nfs/dbraw/zinc/31/46/12/1314314612.db2.gz BNZROORUYJIIQV-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046938098 1309717656 /nfs/dbraw/zinc/71/76/56/1309717656.db2.gz OKYXADSFBCYTSE-CVEARBPZSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001046977834 1309825068 /nfs/dbraw/zinc/82/50/68/1309825068.db2.gz MRVFJKGZQQLLIK-HZPDHXFCSA-N 2 0 343.462 2.509 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001046995365 1309881771 /nfs/dbraw/zinc/88/17/71/1309881771.db2.gz OQWJOUBXGWZTSK-JKSUJKDBSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763683 1314357789 /nfs/dbraw/zinc/35/77/89/1314357789.db2.gz IXAAPHUBHRUURV-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633433 1314364524 /nfs/dbraw/zinc/36/45/24/1314364524.db2.gz CAPKOFKERMNXTR-RTBURBONSA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690467 1314373447 /nfs/dbraw/zinc/37/34/47/1314373447.db2.gz LSJIIJRBCMNVOQ-JKSUJKDBSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225408 1310351365 /nfs/dbraw/zinc/35/13/65/1310351365.db2.gz DIQLOBUXPQPSFV-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047241080 1310390899 /nfs/dbraw/zinc/39/08/99/1310390899.db2.gz KOVLONYJUMJDSK-MISYRCLQSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047241416 1310392102 /nfs/dbraw/zinc/39/21/02/1310392102.db2.gz CCTNWMOCJZXRFT-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047242420 1310394482 /nfs/dbraw/zinc/39/44/82/1310394482.db2.gz FCWJCCMBPKKZHC-MOPGFXCFSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047242872 1310396054 /nfs/dbraw/zinc/39/60/54/1310396054.db2.gz GYXDGZNUBSDDDZ-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047244668 1310401275 /nfs/dbraw/zinc/40/12/75/1310401275.db2.gz UIMJHWGPXNHSGX-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047244665 1310401996 /nfs/dbraw/zinc/40/19/96/1310401996.db2.gz UIMJHWGPXNHSGX-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245141 1310403215 /nfs/dbraw/zinc/40/32/15/1310403215.db2.gz XTSOWSCFQUZRJM-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252808 1310422006 /nfs/dbraw/zinc/42/20/06/1310422006.db2.gz KAWHKUNIISBNQO-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001047254430 1310425832 /nfs/dbraw/zinc/42/58/32/1310425832.db2.gz PKTAEDHOEQDXER-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047256382 1310430687 /nfs/dbraw/zinc/43/06/87/1310430687.db2.gz JXLSHYCXLZGQEW-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC1 ZINC001047264587 1310454493 /nfs/dbraw/zinc/45/44/93/1310454493.db2.gz PQTNJDAXHKVVTK-CTNGQTDRSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047265056 1310456909 /nfs/dbraw/zinc/45/69/09/1310456909.db2.gz WAIHQOXFADQBPU-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266216 1310460583 /nfs/dbraw/zinc/46/05/83/1310460583.db2.gz TUCWCMIHYDVHSR-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632637 1314404052 /nfs/dbraw/zinc/40/40/52/1314404052.db2.gz TZTSNDXLACNKPJ-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001221663806 1311009449 /nfs/dbraw/zinc/00/94/49/1311009449.db2.gz ORNMUICQESKASY-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730439 1311020365 /nfs/dbraw/zinc/02/03/65/1311020365.db2.gz HSGIEJKKAMUSIX-RCCFBDPRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221765470 1311028169 /nfs/dbraw/zinc/02/81/69/1311028169.db2.gz HBJLIRWHRCSIHP-VNTMZGSJSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817585 1311037296 /nfs/dbraw/zinc/03/72/96/1311037296.db2.gz ZBXRMFMMNRFKAS-RCCFBDPRSA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815111 1311037341 /nfs/dbraw/zinc/03/73/41/1311037341.db2.gz UVLHMUVSADJLND-KZNAEPCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815112 1311037923 /nfs/dbraw/zinc/03/79/23/1311037923.db2.gz UVLHMUVSADJLND-RCCFBDPRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848720 1311042534 /nfs/dbraw/zinc/04/25/34/1311042534.db2.gz CCSDLTPZACHXBR-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945205 1311058746 /nfs/dbraw/zinc/05/87/46/1311058746.db2.gz ISYJEJXHRDFBNP-IPMKNSEASA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045282 1311073352 /nfs/dbraw/zinc/07/33/52/1311073352.db2.gz GNDSDBAVCSGKOE-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046526 1311073718 /nfs/dbraw/zinc/07/37/18/1311073718.db2.gz JAKGSDQCARVJPC-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547363 1311101002 /nfs/dbraw/zinc/10/10/02/1311101002.db2.gz DLXXOOPAUWBPFN-NMLBUPMWSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099547215 1311101097 /nfs/dbraw/zinc/10/10/97/1311101097.db2.gz BBHVCOQSDQXVST-NMLBUPMWSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH2+]CCN1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573729 1311154763 /nfs/dbraw/zinc/15/47/63/1311154763.db2.gz CJVJESLFQAIYKZ-FQEVSTJZSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001101551662 1311249308 /nfs/dbraw/zinc/24/93/08/1311249308.db2.gz VKRRYCOHNTUXQF-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101589292 1311251674 /nfs/dbraw/zinc/25/16/74/1311251674.db2.gz GJQLSMQTFQFNAI-KRWDZBQOSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001101591933 1311252903 /nfs/dbraw/zinc/25/29/03/1311252903.db2.gz DCBZCDMLYOQZHD-UHFFFAOYSA-N 2 0 332.492 2.691 20 30 EFEDRP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001102112896 1311283885 /nfs/dbraw/zinc/28/38/85/1311283885.db2.gz LNYVDBLBFUTMRB-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223705152 1311294818 /nfs/dbraw/zinc/29/48/18/1311294818.db2.gz BFGSMIFMOPUKFH-CEXWTWQISA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001223719961 1311296322 /nfs/dbraw/zinc/29/63/22/1311296322.db2.gz NKIGPUJFBQGNND-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912757 1311320393 /nfs/dbraw/zinc/32/03/93/1311320393.db2.gz ZOOVSYBFEWMNRZ-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224228174 1311363251 /nfs/dbraw/zinc/36/32/51/1311363251.db2.gz VZUJHWUNOXFJED-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724020 1311373784 /nfs/dbraw/zinc/37/37/84/1311373784.db2.gz VHZTZUNYKXOKJZ-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546290 1311405374 /nfs/dbraw/zinc/40/53/74/1311405374.db2.gz JCIMQHZYXFKHHQ-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866162 1311405548 /nfs/dbraw/zinc/40/55/48/1311405548.db2.gz MKINQIVZLCHDES-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224560593 1311407640 /nfs/dbraw/zinc/40/76/40/1311407640.db2.gz WMJGPBMVOKRIHF-IBGZPJMESA-N 2 0 339.499 2.603 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)C[C@H](C)CC)CC1 ZINC001158914687 1311415847 /nfs/dbraw/zinc/41/58/47/1311415847.db2.gz RZUBEZVVLMKBLW-UYAOXDASSA-N 2 0 347.547 2.691 20 30 EFEDRP C[N+](C)(C)C[C@@H](CC#N)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224829593 1311440202 /nfs/dbraw/zinc/44/02/02/1311440202.db2.gz LBAJRGPAWISFKX-WOJBJXKFSA-N 2 0 330.496 2.904 20 30 EFEDRP N#Cc1ccc(CNc2cccc(N3CCC([NH3+])CC3)[nH+]2)cc1F ZINC001159087189 1311448154 /nfs/dbraw/zinc/44/81/54/1311448154.db2.gz WEDZGLPHDXXWFW-UHFFFAOYSA-N 2 0 325.391 2.632 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001224957303 1311454871 /nfs/dbraw/zinc/45/48/71/1311454871.db2.gz FVDAVGRVSFWMSJ-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154591 1311484109 /nfs/dbraw/zinc/48/41/09/1311484109.db2.gz CBTYFDFHMBVEKM-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001225154972 1311484198 /nfs/dbraw/zinc/48/41/98/1311484198.db2.gz LBVSTZUICBAJOL-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP CN(C)Cc1ncccc1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225279575 1311499979 /nfs/dbraw/zinc/49/99/79/1311499979.db2.gz YOHOSEQUGCSOOF-SFHVURJKSA-N 2 0 336.439 2.668 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571616 1311545681 /nfs/dbraw/zinc/54/56/81/1311545681.db2.gz PYGFYKMFIUHAGX-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313909 1311613703 /nfs/dbraw/zinc/61/37/03/1311613703.db2.gz RBFZWMABBXSRIA-YDZRNGNQSA-N 2 0 333.520 2.939 20 30 EFEDRP N#Cc1cc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001159978210 1311622221 /nfs/dbraw/zinc/62/22/21/1311622221.db2.gz LHMKYAWZCOEWBO-GOSISDBHSA-N 2 0 347.466 2.916 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160130974 1311650050 /nfs/dbraw/zinc/65/00/50/1311650050.db2.gz AVBJWFYFKQZDBF-VQTJNVASSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175470 1311660008 /nfs/dbraw/zinc/66/00/08/1311660008.db2.gz SZYMWPNDTKHJKF-ZHALLVOQSA-N 2 0 333.520 2.820 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C[NH+](CC)CC ZINC001226554285 1311687604 /nfs/dbraw/zinc/68/76/04/1311687604.db2.gz NUXLUSCCYMVITH-BRWVUGGUSA-N 2 0 327.488 2.650 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360682 1311697396 /nfs/dbraw/zinc/69/73/96/1311697396.db2.gz URYUJZKNNSSNCZ-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379161 1311700121 /nfs/dbraw/zinc/70/01/21/1311700121.db2.gz CZMJFPFPVJZQEI-QGZVFWFLSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277150586 1311712885 /nfs/dbraw/zinc/71/28/85/1311712885.db2.gz BBAGYUFEQSEYRD-YLJYHZDGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001160525028 1311728697 /nfs/dbraw/zinc/72/86/97/1311728697.db2.gz XXXWWPDLOMQHFV-SFHVURJKSA-N 2 0 342.487 2.550 20 30 EFEDRP C=CCCCCCC[NH+]1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277160706 1311733367 /nfs/dbraw/zinc/73/33/67/1311733367.db2.gz VRCAPCZNJPAGJY-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559375 1311736537 /nfs/dbraw/zinc/73/65/37/1311736537.db2.gz HIKAVVHUSZEODK-UHFFFAOYSA-N 2 0 345.531 2.801 20 30 EFEDRP N#Cc1ccc(-c2ccncc2)nc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160949756 1311819952 /nfs/dbraw/zinc/81/99/52/1311819952.db2.gz CRRFCQJHNZWTLV-UHFFFAOYSA-N 2 0 340.390 2.855 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001227597177 1311826881 /nfs/dbraw/zinc/82/68/81/1311826881.db2.gz VFZMAFKREPWNKD-UHFFFAOYSA-N 2 0 335.517 2.970 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227618719 1311831400 /nfs/dbraw/zinc/83/14/00/1311831400.db2.gz IJQXRBNBHCWRRQ-WBVHZDCISA-N 2 0 327.488 2.602 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227704411 1311842094 /nfs/dbraw/zinc/84/20/94/1311842094.db2.gz YLTAYFSSWSHQDJ-GUDVDZBRSA-N 2 0 333.520 2.844 20 30 EFEDRP CCc1cc(C#N)ccc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277239771 1311854053 /nfs/dbraw/zinc/85/40/53/1311854053.db2.gz XDMZQUJITXODPM-UHFFFAOYSA-N 2 0 340.515 2.580 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525045 1311860258 /nfs/dbraw/zinc/86/02/58/1311860258.db2.gz ICVHYMYQMLEIDQ-SWBPCFCJSA-N 2 0 345.531 2.796 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527787 1311863863 /nfs/dbraw/zinc/86/38/63/1311863863.db2.gz UOVPUDBYNVUWQY-RDGPPVDQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001048529568 1311866964 /nfs/dbraw/zinc/86/69/64/1311866964.db2.gz RCCCCQSUFFYINI-XCDZQEORSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391494 1311877777 /nfs/dbraw/zinc/87/77/77/1311877777.db2.gz SCEAGFDEQSYQFX-UHFFFAOYSA-N 2 0 333.520 2.823 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444255 1311891137 /nfs/dbraw/zinc/89/11/37/1311891137.db2.gz AODRMYNOSGPCSO-RTBURBONSA-N 2 0 331.504 2.718 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1occc1C[NH+](C)C)C2 ZINC001048556492 1311900668 /nfs/dbraw/zinc/90/06/68/1311900668.db2.gz JBQJCYICOWKWFB-VBUUOAMHSA-N 2 0 345.487 2.890 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574178 1311922038 /nfs/dbraw/zinc/92/20/38/1311922038.db2.gz RPZWCBLTWDWTFW-KNJMJIDISA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001048581709 1311930919 /nfs/dbraw/zinc/93/09/19/1311930919.db2.gz NROUFXBGOZVJJT-FNLKRUPLSA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048589967 1311940899 /nfs/dbraw/zinc/94/08/99/1311940899.db2.gz FIHLFNSBAMPJHV-FCGDIQPGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001048590640 1311941980 /nfs/dbraw/zinc/94/19/80/1311941980.db2.gz SVNCWVFCBDIEBV-GGPHIMKMSA-N 2 0 341.499 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705169 1311955348 /nfs/dbraw/zinc/95/53/48/1311955348.db2.gz MSVCSDWIBWVSSU-RTBURBONSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001228610841 1311969745 /nfs/dbraw/zinc/96/97/45/1311969745.db2.gz NSQYTRXDFWKKCQ-WOJBJXKFSA-N 2 0 343.515 2.997 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161952332 1312011513 /nfs/dbraw/zinc/01/15/13/1312011513.db2.gz GPAILPUFEAJGJT-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000902737364 1312063795 /nfs/dbraw/zinc/06/37/95/1312063795.db2.gz WADBOJHAEXNGDC-HXUWFJFHSA-N 2 0 349.482 2.946 20 30 EFEDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902790831 1312110464 /nfs/dbraw/zinc/11/04/64/1312110464.db2.gz RKDJHOTZBDYSDP-YLJYHZDGSA-N 2 0 328.504 2.873 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001229632587 1312121927 /nfs/dbraw/zinc/12/19/27/1312121927.db2.gz DYKABUYNUKDUOX-SBHAEUEKSA-N 2 0 341.499 2.504 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]2C1 ZINC001048820614 1312165317 /nfs/dbraw/zinc/16/53/17/1312165317.db2.gz MEOPSKZKVIEOLL-GBESFXJTSA-N 2 0 345.531 2.607 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(C#N)c1 ZINC000902880458 1312175676 /nfs/dbraw/zinc/17/56/76/1312175676.db2.gz ITPZRZBGBMDGEK-SLFFLAALSA-N 2 0 327.472 2.977 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001162807065 1312180002 /nfs/dbraw/zinc/18/00/02/1312180002.db2.gz UNHRRUHHSJREME-FQEVSTJZSA-N 2 0 343.515 2.706 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001162849936 1312189370 /nfs/dbraw/zinc/18/93/70/1312189370.db2.gz OHNIDVBUCUMGFX-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906718 1312200609 /nfs/dbraw/zinc/20/06/09/1312200609.db2.gz OWZZMMRZUXXDER-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048860853 1312203006 /nfs/dbraw/zinc/20/30/06/1312203006.db2.gz FDAQKZMDYJUSTO-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCCCC)CC1 ZINC001230251789 1312210839 /nfs/dbraw/zinc/21/08/39/1312210839.db2.gz JOLJMJLXTZBGIU-WOJBJXKFSA-N 2 0 347.547 2.929 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001230286842 1312216099 /nfs/dbraw/zinc/21/60/99/1312216099.db2.gz UAMIWJYCVSYKDS-BRWVUGGUSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001162982800 1312218557 /nfs/dbraw/zinc/21/85/57/1312218557.db2.gz PLNMBJQLBDMCMP-HXUWFJFHSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162986960 1312219574 /nfs/dbraw/zinc/21/95/74/1312219574.db2.gz FOWXFEMQHRSKGP-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162987665 1312219619 /nfs/dbraw/zinc/21/96/19/1312219619.db2.gz SVTRKHGQGRUKHK-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCCCCC)CC2)CC1 ZINC001230355036 1312228011 /nfs/dbraw/zinc/22/80/11/1312228011.db2.gz QMCKKIIALLBMTI-UHFFFAOYSA-N 2 0 347.547 2.883 20 30 EFEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncccc1C#C[Si](C)(C)C ZINC001163128624 1312246673 /nfs/dbraw/zinc/24/66/73/1312246673.db2.gz NQJAOKHLPSAFOX-UHFFFAOYSA-N 2 0 331.540 2.589 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910721 1312249677 /nfs/dbraw/zinc/24/96/77/1312249677.db2.gz GKRHVCSTOKUWPA-HDICACEKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001230564509 1312266279 /nfs/dbraw/zinc/26/62/79/1312266279.db2.gz UKYYEFHZJSCDOZ-RLLQIKCJSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230574909 1312270637 /nfs/dbraw/zinc/27/06/37/1312270637.db2.gz IPBLUYCOBVQJAN-SFHVURJKSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591716 1312276273 /nfs/dbraw/zinc/27/62/73/1312276273.db2.gz HKUJCBKFZOVIBE-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592015 1312276917 /nfs/dbraw/zinc/27/69/17/1312276917.db2.gz POOHJIKUBZLJBR-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598732 1312279092 /nfs/dbraw/zinc/27/90/92/1312279092.db2.gz XTLGMMQWVLQLIO-VQTJNVASSA-N 2 0 347.547 2.833 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598689 1312279326 /nfs/dbraw/zinc/27/93/26/1312279326.db2.gz WXJVVZYICTYFNV-UXHICEINSA-N 2 0 347.547 2.833 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610635 1312281961 /nfs/dbraw/zinc/28/19/61/1312281961.db2.gz FPYMELNDSLMVKR-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230613024 1312284042 /nfs/dbraw/zinc/28/40/42/1312284042.db2.gz JZFMEXGBWDPVOJ-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230618733 1312285491 /nfs/dbraw/zinc/28/54/91/1312285491.db2.gz RBWNTOPMQKOLNN-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003104 1312348730 /nfs/dbraw/zinc/34/87/30/1312348730.db2.gz CBTJFUBETDUEGS-NSHGMRRFSA-N 2 0 345.531 2.750 20 30 EFEDRP [NH2+]=C(Nc1ccc(N2CC[NH2+]CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC001163679701 1312362515 /nfs/dbraw/zinc/36/25/15/1312362515.db2.gz FDKNCUVBJYQIKW-UHFFFAOYSA-N 2 0 349.360 2.547 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531466 1312534227 /nfs/dbraw/zinc/53/42/27/1312534227.db2.gz JQJULHPJDOQNSI-QZTJIDSGSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164536820 1312535678 /nfs/dbraw/zinc/53/56/78/1312535678.db2.gz QXOVPVBQZNCTFX-QGZVFWFLSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165313907 1312607374 /nfs/dbraw/zinc/60/73/74/1312607374.db2.gz FARUKABGAJQIHK-DLBZAZTESA-N 2 0 341.515 2.897 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235603 1312610830 /nfs/dbraw/zinc/61/08/30/1312610830.db2.gz PGOZNNLDGFKOGN-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]2C1 ZINC001049243754 1312621274 /nfs/dbraw/zinc/62/12/74/1312621274.db2.gz CPZUCYAJPJTTKE-CALCHBBNSA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472079 1312634863 /nfs/dbraw/zinc/63/48/63/1312634863.db2.gz GIEHSPRNRFPFIV-SFHVURJKSA-N 2 0 335.536 2.807 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165473234 1312635191 /nfs/dbraw/zinc/63/51/91/1312635191.db2.gz XZUINGLTRQJVIX-SFHVURJKSA-N 2 0 335.536 2.807 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211240442 1314461933 /nfs/dbraw/zinc/46/19/33/1314461933.db2.gz LNMVHDDUTHIYFT-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211291603 1314470332 /nfs/dbraw/zinc/47/03/32/1314470332.db2.gz ALESMUFFAJIHCW-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001245981007 1314559025 /nfs/dbraw/zinc/55/90/25/1314559025.db2.gz PJNFXDHZMBQHHR-ROUUACIJSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1COC2(C[NH2+]C2)C1 ZINC001245988358 1314560902 /nfs/dbraw/zinc/56/09/02/1314560902.db2.gz VLCXKJMMLXDBQG-MSOLQXFVSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246001857 1314563961 /nfs/dbraw/zinc/56/39/61/1314563961.db2.gz PDPTTWQNWSMZPB-QYZOEREBSA-N 2 0 328.541 2.971 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246020357 1314566534 /nfs/dbraw/zinc/56/65/34/1314566534.db2.gz OOGCPJKXXSILJR-ROUUACIJSA-N 2 0 343.556 2.711 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246050487 1314574367 /nfs/dbraw/zinc/57/43/67/1314574367.db2.gz WXVXQFUUACSAIZ-PMACEKPBSA-N 2 0 339.568 2.985 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027828 1314598057 /nfs/dbraw/zinc/59/80/57/1314598057.db2.gz HRTZISNJLYXZFQ-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028344 1314599247 /nfs/dbraw/zinc/59/92/47/1314599247.db2.gz LEVFQFPPFZEBMQ-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001278436766 1314599345 /nfs/dbraw/zinc/59/93/45/1314599345.db2.gz UQUXANUXERBETK-SZPZYZBQSA-N 2 0 348.494 2.708 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030717 1314605743 /nfs/dbraw/zinc/60/57/43/1314605743.db2.gz GUVBCMBANFIBJO-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036959 1314616082 /nfs/dbraw/zinc/61/60/82/1314616082.db2.gz SHWGSXYPDUPFBK-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043757 1314626407 /nfs/dbraw/zinc/62/64/07/1314626407.db2.gz YYRKJTGSVWDELT-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C[C@@H]1C[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444878 1314630164 /nfs/dbraw/zinc/63/01/64/1314630164.db2.gz ZIOJRCLQVXXERG-XLNTUCKNSA-N 3 0 326.488 2.771 20 30 EFEDRP C[C@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443375 1314630304 /nfs/dbraw/zinc/63/03/04/1314630304.db2.gz SJMGWABCKWSIDV-MVJPYGJCSA-N 3 0 326.488 2.771 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049881 1314635624 /nfs/dbraw/zinc/63/56/24/1314635624.db2.gz ATIRLOFGQLXCRK-RTBURBONSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC001246527131 1314642062 /nfs/dbraw/zinc/64/20/62/1314642062.db2.gz SJMVDCRGZWWMSX-IAGOWNOFSA-N 2 0 335.492 2.628 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)C1 ZINC001246551999 1314646921 /nfs/dbraw/zinc/64/69/21/1314646921.db2.gz UBUVYUZRMXIQDN-WSTZPKSXSA-N 2 0 349.519 2.874 20 30 EFEDRP CCCCCCCCC[C@@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246823681 1314690517 /nfs/dbraw/zinc/69/05/17/1314690517.db2.gz VZYRHWDFMVYGOL-LJQANCHMSA-N 2 0 326.573 2.600 20 30 EFEDRP N#Cc1ccc(N2CC[NH+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC2)c(F)c1 ZINC001246863845 1314698781 /nfs/dbraw/zinc/69/87/81/1314698781.db2.gz LZFVANDICAPLKG-FXAWDEMLSA-N 2 0 342.462 2.742 20 30 EFEDRP C=C1C[C@@H]2CC([N@H+]3CCC4(C[NH2+]C4)[C@@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001247009193 1314730149 /nfs/dbraw/zinc/73/01/49/1314730149.db2.gz PMNNBWWNKCMCOR-UJJTZGENSA-N 2 0 332.488 2.596 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108281 1314732854 /nfs/dbraw/zinc/73/28/54/1314732854.db2.gz RSZWCDNKNIALRX-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108096 1314733108 /nfs/dbraw/zinc/73/31/08/1314733108.db2.gz PEFWGEQJNMXHHI-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108282 1314733217 /nfs/dbraw/zinc/73/32/17/1314733217.db2.gz RSZWCDNKNIALRX-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855823 1314748199 /nfs/dbraw/zinc/74/81/99/1314748199.db2.gz ORDGFKDWNUKXEH-QRQLOZEOSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001215027371 1314771999 /nfs/dbraw/zinc/77/19/99/1314771999.db2.gz QJLHOASMHZGFFD-RDTXWAMCSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539953 1314847808 /nfs/dbraw/zinc/84/78/08/1314847808.db2.gz FFIKMWQFXOISNB-MDZRGWNJSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215929309 1314892414 /nfs/dbraw/zinc/89/24/14/1314892414.db2.gz DYLRXPLHAAVQHM-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413902 1314950935 /nfs/dbraw/zinc/95/09/35/1314950935.db2.gz WRLCBNXXQVYMNQ-SJLPKXTDSA-N 2 0 344.503 2.944 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCCCC=C)C2)CC1 ZINC001216837487 1315013970 /nfs/dbraw/zinc/01/39/70/1315013970.db2.gz FVTPPKIGFYFQCX-UYAOXDASSA-N 2 0 345.531 2.515 20 30 EFEDRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249107273 1315019533 /nfs/dbraw/zinc/01/95/33/1315019533.db2.gz UICIGRMJILCMTB-UHFFFAOYSA-N 2 0 325.460 2.758 20 30 EFEDRP C[C@H]([NH3+])c1cccc(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)c1 ZINC001218553789 1315215088 /nfs/dbraw/zinc/21/50/88/1315215088.db2.gz ROEXWVVOCGYFHP-JTQLQIEISA-N 2 0 326.425 2.537 20 30 EFEDRP C[NH+]1CCN(c2ccc3[nH]c(CCc4cccc(C#N)c4)[nH+]c3c2)CC1 ZINC001250581658 1315227259 /nfs/dbraw/zinc/22/72/59/1315227259.db2.gz KBPLFBDVNJPRHN-UHFFFAOYSA-N 2 0 345.450 2.972 20 30 EFEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996771 1315270731 /nfs/dbraw/zinc/27/07/31/1315270731.db2.gz OEOOVMWGUQVDEN-PKOBYXMFSA-N 2 0 334.423 2.664 20 30 EFEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001219272054 1315296216 /nfs/dbraw/zinc/29/62/16/1315296216.db2.gz ZZDDUKXIUDMFRQ-IBGZPJMESA-N 2 0 336.439 2.881 20 30 EFEDRP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219482883 1315317334 /nfs/dbraw/zinc/31/73/34/1315317334.db2.gz LRRAPKVFQWMDBV-CQSZACIVSA-N 2 0 337.927 2.574 20 30 EFEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532628 1315320999 /nfs/dbraw/zinc/32/09/99/1315320999.db2.gz BKHJUOGKHWLKPM-GRDNDAEWSA-N 2 0 329.444 2.537 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129236 1315337047 /nfs/dbraw/zinc/33/70/47/1315337047.db2.gz MYRODSLPEVPJRV-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054128910 1315337756 /nfs/dbraw/zinc/33/77/56/1315337756.db2.gz GMWKEPKWLSDQBV-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054128911 1315337784 /nfs/dbraw/zinc/33/77/84/1315337784.db2.gz GMWKEPKWLSDQBV-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142458 1315359441 /nfs/dbraw/zinc/35/94/41/1315359441.db2.gz CGKSBAUABKMOGS-FPOVZHCZSA-N 2 0 347.547 2.855 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144589 1315362732 /nfs/dbraw/zinc/36/27/32/1315362732.db2.gz AAIFWAWEBGYUCZ-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144587 1315363049 /nfs/dbraw/zinc/36/30/49/1315363049.db2.gz AAIFWAWEBGYUCZ-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054144588 1315363113 /nfs/dbraw/zinc/36/31/13/1315363113.db2.gz AAIFWAWEBGYUCZ-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054152821 1315377310 /nfs/dbraw/zinc/37/73/10/1315377310.db2.gz HNOOIBFMZZUQIJ-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158622 1315385776 /nfs/dbraw/zinc/38/57/76/1315385776.db2.gz NTVUKXOZRSKNMI-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054158695 1315386171 /nfs/dbraw/zinc/38/61/71/1315386171.db2.gz ACSWNYPNHUCRLY-LJQANCHMSA-N 2 0 331.504 2.505 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169919 1315403999 /nfs/dbraw/zinc/40/39/99/1315403999.db2.gz AOJPTOWMWGEWPE-TZIWHRDSSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174234 1315409729 /nfs/dbraw/zinc/40/97/29/1315409729.db2.gz KOCYHRYVZSDRCA-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP CCCCCCCC[C@@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252128149 1315416457 /nfs/dbraw/zinc/41/64/57/1315416457.db2.gz JEBIABSWSCKAJV-GOSISDBHSA-N 2 0 344.540 2.915 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252134141 1315417869 /nfs/dbraw/zinc/41/78/69/1315417869.db2.gz NPTSSNJYFTWWME-LJQANCHMSA-N 2 0 327.557 2.714 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054185161 1315426162 /nfs/dbraw/zinc/42/61/62/1315426162.db2.gz VDUWPUCHOYVHOS-ZJOUEHCJSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054185604 1315427168 /nfs/dbraw/zinc/42/71/68/1315427168.db2.gz GBLKFKDFNOCCCK-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197344 1315440903 /nfs/dbraw/zinc/44/09/03/1315440903.db2.gz WJUWNCLFCJRGKW-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054197796 1315442155 /nfs/dbraw/zinc/44/21/55/1315442155.db2.gz ISFWJCHAJTUHSN-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075020 1315449303 /nfs/dbraw/zinc/44/93/03/1315449303.db2.gz XCPMRVLTRQXYBG-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474220 1315453868 /nfs/dbraw/zinc/45/38/68/1315453868.db2.gz WTIUPJRDXZAUDC-LEWJYISDSA-N 2 0 344.499 2.538 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001220868804 1315457957 /nfs/dbraw/zinc/45/79/57/1315457957.db2.gz VBDOFEHKTZPUCC-IPMKNSEASA-N 2 0 327.472 2.636 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC001220868865 1315458156 /nfs/dbraw/zinc/45/81/56/1315458156.db2.gz XQWFKPCYJITCJE-RBUKOAKNSA-N 2 0 343.515 2.621 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001220868269 1315458660 /nfs/dbraw/zinc/45/86/60/1315458660.db2.gz FTBHUILWZFPWTE-FQEVSTJZSA-N 2 0 341.499 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219889 1315476712 /nfs/dbraw/zinc/47/67/12/1315476712.db2.gz YYZFUVIRGBCGAB-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222882 1315479799 /nfs/dbraw/zinc/47/97/99/1315479799.db2.gz KVQYWAHXAQCGGV-NRFANRHFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227256 1315486913 /nfs/dbraw/zinc/48/69/13/1315486913.db2.gz FZLDUEVDVFAOTO-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128328 1315509534 /nfs/dbraw/zinc/50/95/34/1315509534.db2.gz WKYXVBXYJFAGJC-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001054243632 1315512766 /nfs/dbraw/zinc/51/27/66/1315512766.db2.gz KLLIVYJRZPZFBM-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245477 1315516147 /nfs/dbraw/zinc/51/61/47/1315516147.db2.gz TURIUNOXCWDUIW-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039134472 1315517831 /nfs/dbraw/zinc/51/78/31/1315517831.db2.gz QKNZPFVOEMOHEP-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134710 1315519464 /nfs/dbraw/zinc/51/94/64/1315519464.db2.gz UNPKJGUQIBOGGU-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138360 1315524953 /nfs/dbraw/zinc/52/49/53/1315524953.db2.gz OVOZLQVCDSLDEC-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001039143972 1315535826 /nfs/dbraw/zinc/53/58/26/1315535826.db2.gz DXPYVXLOSWXGOJ-QGZVFWFLSA-N 2 0 338.455 2.694 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252982703 1315546354 /nfs/dbraw/zinc/54/63/54/1315546354.db2.gz LHWHZSVAJDQYMI-IBGZPJMESA-N 2 0 327.557 2.715 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001039159103 1315554925 /nfs/dbraw/zinc/55/49/25/1315554925.db2.gz CTIZRTMGKARFON-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163587 1315561464 /nfs/dbraw/zinc/56/14/64/1315561464.db2.gz CWOFCVAGJFURRY-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165064 1315563949 /nfs/dbraw/zinc/56/39/49/1315563949.db2.gz NIISCAYSUAYGSG-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167197 1315569079 /nfs/dbraw/zinc/56/90/79/1315569079.db2.gz ODGZQUJYGWSNQA-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCCCCC[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001253238526 1315583493 /nfs/dbraw/zinc/58/34/93/1315583493.db2.gz FQGPNMIASWHWDD-FQEVSTJZSA-N 2 0 337.552 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182426 1315589531 /nfs/dbraw/zinc/58/95/31/1315589531.db2.gz NPLHGAXLZFDDTC-FQEVSTJZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182427 1315589723 /nfs/dbraw/zinc/58/97/23/1315589723.db2.gz NPLHGAXLZFDDTC-HXUWFJFHSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C[C@H](O)C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001253588164 1315616896 /nfs/dbraw/zinc/61/68/96/1315616896.db2.gz TUYKUUYNAUDBBB-IBGZPJMESA-N 2 0 344.499 2.679 20 30 EFEDRP C=C[C@@H](O)C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001253588165 1315617000 /nfs/dbraw/zinc/61/70/00/1315617000.db2.gz TUYKUUYNAUDBBB-LJQANCHMSA-N 2 0 344.499 2.679 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039213460 1315629827 /nfs/dbraw/zinc/62/98/27/1315629827.db2.gz KDGBGCDMLCTJKN-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214744 1315631693 /nfs/dbraw/zinc/63/16/93/1315631693.db2.gz QAVJONSSJCMNQG-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214742 1315631879 /nfs/dbraw/zinc/63/18/79/1315631879.db2.gz QAVJONSSJCMNQG-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228547 1315651018 /nfs/dbraw/zinc/65/10/18/1315651018.db2.gz JFYFUJLXNHRWSG-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233888 1315657156 /nfs/dbraw/zinc/65/71/56/1315657156.db2.gz FUQNMWUTYAZKPN-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237338 1315663511 /nfs/dbraw/zinc/66/35/11/1315663511.db2.gz HLIKIJYYUPREJI-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP CC1(C#N)CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254040449 1315668351 /nfs/dbraw/zinc/66/83/51/1315668351.db2.gz UFELEXBNEQTCEI-UHFFFAOYSA-N 2 0 327.472 2.639 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241555 1315668885 /nfs/dbraw/zinc/66/88/85/1315668885.db2.gz CLOPBCZJWMWFFD-UXHICEINSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CC1([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC001254055724 1315669593 /nfs/dbraw/zinc/66/95/93/1315669593.db2.gz ZRXGIJWVBRJCON-UHFFFAOYSA-N 2 0 326.484 2.939 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039287710 1315702757 /nfs/dbraw/zinc/70/27/57/1315702757.db2.gz LSMBKZVJQFHEOZ-XVLXNVKGSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039288707 1315702976 /nfs/dbraw/zinc/70/29/76/1315702976.db2.gz SCYXEWHDXYDUGL-AYHJJNSGSA-N 2 0 331.504 2.693 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039289136 1315703211 /nfs/dbraw/zinc/70/32/11/1315703211.db2.gz NPSLBOJONLWBID-QZNYNHHHSA-N 2 0 343.515 2.528 20 30 EFEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001001405798 1315729360 /nfs/dbraw/zinc/72/93/60/1315729360.db2.gz UMKXPWWAZPSQBW-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165182 1315746726 /nfs/dbraw/zinc/74/67/26/1315746726.db2.gz XCSOSRHIDKWMBV-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375097 1315747840 /nfs/dbraw/zinc/74/78/40/1315747840.db2.gz RHXPRXZCIBLTTA-RLLQIKCJSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718386 1315805260 /nfs/dbraw/zinc/80/52/60/1315805260.db2.gz VBKQHLKKPJRBMY-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C(=O)NCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255387200 1315814558 /nfs/dbraw/zinc/81/45/58/1315814558.db2.gz QUNTUAYELKDOKS-LJQANCHMSA-N 2 0 329.488 2.713 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039473839 1315817052 /nfs/dbraw/zinc/81/70/52/1315817052.db2.gz FGMODSYVOUDNRP-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP CN1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255477908 1315828604 /nfs/dbraw/zinc/82/86/04/1315828604.db2.gz QINYLYQXDSRMEO-UFYCRDLUSA-N 2 0 326.488 2.724 20 30 EFEDRP C=C(C)CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3C)cccc2C1 ZINC001051283997 1315842395 /nfs/dbraw/zinc/84/23/95/1315842395.db2.gz VMKLZZVXWHUVTF-HXUWFJFHSA-N 2 0 341.499 2.721 20 30 EFEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCCC[N@H+]3CC)cccc2C1 ZINC001051306681 1315846532 /nfs/dbraw/zinc/84/65/32/1315846532.db2.gz LOLGVMDIHSVGQC-HXUWFJFHSA-N 2 0 341.499 2.721 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255678455 1315857219 /nfs/dbraw/zinc/85/72/19/1315857219.db2.gz GPTOQUIKQLTZEF-WSCSCYJOSA-N 2 0 334.504 2.828 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001256209459 1315918088 /nfs/dbraw/zinc/91/80/88/1315918088.db2.gz WKVARXIRGGSYRM-UHFFFAOYSA-N 2 0 329.444 2.504 20 30 EFEDRP N#Cc1ccc2c(c1)C[N@H+](C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC001256690898 1315983219 /nfs/dbraw/zinc/98/32/19/1315983219.db2.gz MJGQWJIYISWUAD-UHFFFAOYSA-N 2 0 325.456 2.560 20 30 EFEDRP Cc1ccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(C#N)c1 ZINC001278961156 1315985063 /nfs/dbraw/zinc/98/50/63/1315985063.db2.gz JRNIZCNVWYQZMD-UHFFFAOYSA-N 2 0 349.482 2.661 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014118 1316110293 /nfs/dbraw/zinc/11/02/93/1316110293.db2.gz CJOXUBICOOJFDK-VQTJNVASSA-N 2 0 336.520 2.933 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207371 1316143303 /nfs/dbraw/zinc/14/33/03/1316143303.db2.gz FGJKBTDZTOMSNX-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040209630 1316144880 /nfs/dbraw/zinc/14/48/80/1316144880.db2.gz LLYDSOOPBJPGEY-QWFCFKBJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211186 1316146020 /nfs/dbraw/zinc/14/60/20/1316146020.db2.gz XSHWWPJAQHYBAC-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242516 1316161899 /nfs/dbraw/zinc/16/18/99/1316161899.db2.gz YQFUDPCOASZIGG-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258727059 1316173543 /nfs/dbraw/zinc/17/35/43/1316173543.db2.gz BGDDXYVUIZZZMS-INIZCTEOSA-N 2 0 332.492 2.644 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258727986 1316173651 /nfs/dbraw/zinc/17/36/51/1316173651.db2.gz KFNYOVXOKFVAKC-XUVXKRRUSA-N 2 0 335.536 2.602 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258772799 1316176315 /nfs/dbraw/zinc/17/63/15/1316176315.db2.gz YMMYRQZRRDUWHX-HXUWFJFHSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276609 1316179607 /nfs/dbraw/zinc/17/96/07/1316179607.db2.gz NXENVYXGZASKRP-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347645 1316214040 /nfs/dbraw/zinc/21/40/40/1316214040.db2.gz LRKLBLRCVLLGMM-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040357137 1316220100 /nfs/dbraw/zinc/22/01/00/1316220100.db2.gz NQPNUVSBDKYCFD-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396108 1316241833 /nfs/dbraw/zinc/24/18/33/1316241833.db2.gz SBIKUEQPNNWSNY-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430813 1316260391 /nfs/dbraw/zinc/26/03/91/1316260391.db2.gz CQZAVPKJJKRCDZ-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432171 1316262127 /nfs/dbraw/zinc/26/21/27/1316262127.db2.gz MKTQCGJFXSFIMR-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432993 1316262936 /nfs/dbraw/zinc/26/29/36/1316262936.db2.gz QVKICAIDKCMJTM-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464490 1316280318 /nfs/dbraw/zinc/28/03/18/1316280318.db2.gz NFVRFYAYAFZVKT-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545436 1316316700 /nfs/dbraw/zinc/31/67/00/1316316700.db2.gz QBUVWVIWBKFBES-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545959 1316317391 /nfs/dbraw/zinc/31/73/91/1316317391.db2.gz ZMSZRIRGRFYPDM-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726022 1316360833 /nfs/dbraw/zinc/36/08/33/1316360833.db2.gz IOAQDEUIQQWJPW-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040816567 1316380890 /nfs/dbraw/zinc/38/08/90/1316380890.db2.gz AZVYMFCXRDMWQL-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040915051 1316403834 /nfs/dbraw/zinc/40/38/34/1316403834.db2.gz UXQDRSMUQNNTHB-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041301707 1316507055 /nfs/dbraw/zinc/50/70/55/1316507055.db2.gz PPEHVFKCFGKVCL-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358030 1316526967 /nfs/dbraw/zinc/52/69/67/1316526967.db2.gz KPCQSGFYBGWEOK-PZJWPPBQSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041430168 1316550420 /nfs/dbraw/zinc/55/04/20/1316550420.db2.gz AXHWEKUTMLWXEA-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586778 1316609124 /nfs/dbraw/zinc/60/91/24/1316609124.db2.gz MANWBEPQMYBWFG-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591185 1316611381 /nfs/dbraw/zinc/61/13/81/1316611381.db2.gz XSFNKJSSFPRDHX-CTNGQTDRSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041605859 1316617443 /nfs/dbraw/zinc/61/74/43/1316617443.db2.gz NLOBMYWTGQULMD-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742350 1316676636 /nfs/dbraw/zinc/67/66/36/1316676636.db2.gz AZQCMLAVSBBRDL-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041744074 1316677910 /nfs/dbraw/zinc/67/79/10/1316677910.db2.gz UPOYWABLZKPEGM-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767603 1316688497 /nfs/dbraw/zinc/68/84/97/1316688497.db2.gz JOMCKBWUMQYNHV-HXUWFJFHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782549 1316696199 /nfs/dbraw/zinc/69/61/99/1316696199.db2.gz AHEIERSTKIVWRY-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845969 1316731904 /nfs/dbraw/zinc/73/19/04/1316731904.db2.gz UJCINGFWJOIURU-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845942 1316732369 /nfs/dbraw/zinc/73/23/69/1316732369.db2.gz SRECMZYJRPSNLK-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062760 1316852665 /nfs/dbraw/zinc/85/26/65/1316852665.db2.gz OPPSJOKOMUDXAF-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062759 1316852862 /nfs/dbraw/zinc/85/28/62/1316852862.db2.gz OPPSJOKOMUDXAF-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042114835 1316888109 /nfs/dbraw/zinc/88/81/09/1316888109.db2.gz OZOMROIZRYMPGX-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125239 1316896399 /nfs/dbraw/zinc/89/63/99/1316896399.db2.gz QIJQHKDKEBNLRY-MJGOQNOKSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288702 1317097248 /nfs/dbraw/zinc/09/72/48/1317097248.db2.gz UVBUVSOZWHPIJE-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297923 1317111792 /nfs/dbraw/zinc/11/17/92/1317111792.db2.gz XXFSSVYUDPYEPI-QUCCMNQESA-N 2 0 347.547 2.996 20 30 EFEDRP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)cc1 ZINC001279145099 1317198315 /nfs/dbraw/zinc/19/83/15/1317198315.db2.gz HOKRMMVEFHNYEO-RTWAWAEBSA-N 2 0 349.482 2.980 20 30 EFEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)cc1 ZINC001279145416 1317198368 /nfs/dbraw/zinc/19/83/68/1317198368.db2.gz NEDSPAAYQKFYQX-OYRHEFFESA-N 2 0 349.482 2.599 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)C[C@H]3CC2)cc1C#N ZINC001279178478 1317204143 /nfs/dbraw/zinc/20/41/43/1317204143.db2.gz ZAEAANCQPKHGNX-BGYRXZFFSA-N 2 0 349.482 2.636 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368147 1317222442 /nfs/dbraw/zinc/22/24/42/1317222442.db2.gz ONRRUFFYFTYXON-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP Cc1ccncc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279351836 1317241682 /nfs/dbraw/zinc/24/16/82/1317241682.db2.gz LEENSJVHWNUTCN-UHFFFAOYSA-N 2 0 349.482 2.698 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001319132480 1328785824 /nfs/dbraw/zinc/78/58/24/1328785824.db2.gz NHVVDDRBBHUMLT-UYAOXDASSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001326480774 1329759651 /nfs/dbraw/zinc/75/96/51/1329759651.db2.gz NMCYAEAHRPZQLA-QFBILLFUSA-N 2 0 329.488 2.563 20 30 EFEDRP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001326480776 1329759735 /nfs/dbraw/zinc/75/97/35/1329759735.db2.gz NMCYAEAHRPZQLA-VQIMIIECSA-N 2 0 329.488 2.563 20 30 EFEDRP C[C@H](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001326596006 1330324437 /nfs/dbraw/zinc/32/44/37/1330324437.db2.gz GWDMQNBXWKXUQF-MRXNPFEDSA-N 2 0 328.460 2.741 20 30 EFEDRP C[C@@H](CC[NH2+]CCC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001326596005 1330324465 /nfs/dbraw/zinc/32/44/65/1330324465.db2.gz GWDMQNBXWKXUQF-INIZCTEOSA-N 2 0 328.460 2.741 20 30 EFEDRP CCC[N@@H+]1CC[C@H](CNC(NC[C@@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001335860925 1331410735 /nfs/dbraw/zinc/41/07/35/1331410735.db2.gz XXESVWORFFBWIX-SJORKVTESA-N 2 0 338.540 2.621 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089762 1332138024 /nfs/dbraw/zinc/13/80/24/1332138024.db2.gz HFKVJLQLDAMCBM-MOPGFXCFSA-N 2 0 329.488 2.651 20 30 EFEDRP C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001343927008 1332391632 /nfs/dbraw/zinc/39/16/32/1332391632.db2.gz FTCVJYADDQHILN-MRXNPFEDSA-N 2 0 346.523 2.541 20 30 EFEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756055 1333446085 /nfs/dbraw/zinc/44/60/85/1333446085.db2.gz DACMHSWRCYCVRW-HXUWFJFHSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001100679610 1334558974 /nfs/dbraw/zinc/55/89/74/1334558974.db2.gz FAGHWEAVHHQLFP-LADRWXRNSA-N 2 0 339.499 2.650 20 30 EFEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001100679976 1334559882 /nfs/dbraw/zinc/55/98/82/1334559882.db2.gz YSESEQHQKGAKAV-LADRWXRNSA-N 2 0 339.499 2.650 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001100681275 1334563533 /nfs/dbraw/zinc/56/35/33/1334563533.db2.gz FFUDLGZRBOCMQX-UHFFFAOYSA-N 2 0 343.515 2.612 20 30 EFEDRP C[NH+]=C(NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)NC1CC1 ZINC000849026805 1335045604 /nfs/dbraw/zinc/04/56/04/1335045604.db2.gz VYFBKJXPUUVYDE-HZPDHXFCSA-N 2 0 328.504 2.992 20 30 EFEDRP C[NH+]1CCC(CC[NH+]=C(NC[C@@H]2CCCCO2)NC(C)(C)C)CC1 ZINC001356509271 1335046009 /nfs/dbraw/zinc/04/60/09/1335046009.db2.gz NZYXAIJSMDMXJO-KRWDZBQOSA-N 2 0 338.540 2.621 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000849076057 1335070102 /nfs/dbraw/zinc/07/01/02/1335070102.db2.gz UKPYAKYIDQHMJH-FQEVSTJZSA-N 2 0 340.471 2.857 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001357458662 1335308484 /nfs/dbraw/zinc/30/84/84/1335308484.db2.gz ZDSNVCSKUDQHFW-HSALFYBXSA-N 2 0 343.515 2.869 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CCc2c[nH]cn2)CCCC[C@H]1C ZINC001373907842 1341198776 /nfs/dbraw/zinc/19/87/76/1341198776.db2.gz YGDRHMNHDIKGHR-CXAGYDPISA-N 2 0 338.883 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001375292897 1342600489 /nfs/dbraw/zinc/60/04/89/1342600489.db2.gz YWADZBRALDQTGO-HOTGVXAUSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001375926257 1343174863 /nfs/dbraw/zinc/17/48/63/1343174863.db2.gz JTKFNRXFGAEKAM-HNNXBMFYSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001375934881 1343183193 /nfs/dbraw/zinc/18/31/93/1343183193.db2.gz OXKVYXRDBYKYHY-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001377768063 1344415976 /nfs/dbraw/zinc/41/59/76/1344415976.db2.gz WCKDPAPTNPDSFS-KRWDZBQOSA-N 2 0 349.906 2.895 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001377916659 1344580659 /nfs/dbraw/zinc/58/06/59/1344580659.db2.gz ZZPODFPVNUYSAI-UHFFFAOYSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001393857356 1357216190 /nfs/dbraw/zinc/21/61/90/1357216190.db2.gz ZDWQPOBFBRCXGF-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001379155355 1345631338 /nfs/dbraw/zinc/63/13/38/1345631338.db2.gz VJTQODZLLDEVNM-IRXDYDNUSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001379552895 1345851658 /nfs/dbraw/zinc/85/16/58/1345851658.db2.gz MJGKQJPKHIQPQS-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001380670195 1347802569 /nfs/dbraw/zinc/80/25/69/1347802569.db2.gz SMXJCXAYTOZSLH-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001380670189 1347802742 /nfs/dbraw/zinc/80/27/42/1347802742.db2.gz SMXJCXAYTOZSLH-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001380672842 1347804067 /nfs/dbraw/zinc/80/40/67/1347804067.db2.gz FCWJBKUCPQUTFQ-MAUKXSAKSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001380786673 1347877795 /nfs/dbraw/zinc/87/77/95/1347877795.db2.gz ZWEYHXWSFQVTRR-WMLDXEAASA-N 2 0 335.879 2.800 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382539207 1349006023 /nfs/dbraw/zinc/00/60/23/1349006023.db2.gz HUVLOHMKRQCGFS-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001390152025 1353865332 /nfs/dbraw/zinc/86/53/32/1353865332.db2.gz ZOMULKNXRCRACZ-AWEZNQCLSA-N 2 0 332.835 2.671 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001390616219 1354212179 /nfs/dbraw/zinc/21/21/79/1354212179.db2.gz QAKNJFAFYRCXSX-HUUCEWRRSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676402 1387279200 /nfs/dbraw/zinc/27/92/00/1387279200.db2.gz XFVZUJSAZSEZGJ-CVEARBPZSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676408 1387279334 /nfs/dbraw/zinc/27/93/34/1387279334.db2.gz XFVZUJSAZSEZGJ-HZPDHXFCSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197648 1355853739 /nfs/dbraw/zinc/85/37/39/1355853739.db2.gz RDRJTBUEJNQYHF-GDBMZVCRSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001392736113 1356294883 /nfs/dbraw/zinc/29/48/83/1356294883.db2.gz LUFNZENVUHDFRR-IAGOWNOFSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001398742829 1360756871 /nfs/dbraw/zinc/75/68/71/1360756871.db2.gz XPWKITCSLNINCE-KRWDZBQOSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001401297672 1362644486 /nfs/dbraw/zinc/64/44/86/1362644486.db2.gz PFFXUMZXNOPRAQ-HOTGVXAUSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001401302036 1362647246 /nfs/dbraw/zinc/64/72/46/1362647246.db2.gz VKLAASNQFMKFKS-UKRRQHHQSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771001 1364019036 /nfs/dbraw/zinc/01/90/36/1364019036.db2.gz CTPNUOZDVSKTFI-DOTOQJQBSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001405534148 1366276212 /nfs/dbraw/zinc/27/62/12/1366276212.db2.gz BILKERPZJAUMRN-QGZVFWFLSA-N 2 0 335.879 2.629 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001406999379 1368301825 /nfs/dbraw/zinc/30/18/25/1368301825.db2.gz JZIYVUGYNOQYBY-KRWDZBQOSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001407243718 1368639659 /nfs/dbraw/zinc/63/96/59/1368639659.db2.gz WNWPMEZKMFBHNV-SFHVURJKSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001407872500 1369333088 /nfs/dbraw/zinc/33/30/88/1369333088.db2.gz ZNOIJKDQOBASPF-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001419802139 1375905397 /nfs/dbraw/zinc/90/53/97/1375905397.db2.gz FIQVREOKKUVJKT-HOTGVXAUSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001419802136 1375906171 /nfs/dbraw/zinc/90/61/71/1375906171.db2.gz FIQVREOKKUVJKT-CVEARBPZSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421550712 1378797222 /nfs/dbraw/zinc/79/72/22/1378797222.db2.gz UVNSASZGKYKIBQ-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001421842026 1379221909 /nfs/dbraw/zinc/22/19/09/1379221909.db2.gz SZIUEQGLDBXMID-MRXNPFEDSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001422031115 1379515251 /nfs/dbraw/zinc/51/52/51/1379515251.db2.gz PEHVBDXJOLATMP-NVXWUHKLSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001423409078 1381918362 /nfs/dbraw/zinc/91/83/62/1381918362.db2.gz LCINGTQAZLGUGH-HUUCEWRRSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001423673257 1382262330 /nfs/dbraw/zinc/26/23/30/1382262330.db2.gz VYRMYQFVWYZAHX-UHFFFAOYSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001424154295 1382802529 /nfs/dbraw/zinc/80/25/29/1382802529.db2.gz WUIXMHBDVVNTRY-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001424196368 1382851706 /nfs/dbraw/zinc/85/17/06/1382851706.db2.gz HRQNLSQECYIQDM-OAHLLOKOSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001439503131 1389300098 /nfs/dbraw/zinc/30/00/98/1389300098.db2.gz YZYVWBMESIZFFX-KRWDZBQOSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440702369 1389827343 /nfs/dbraw/zinc/82/73/43/1389827343.db2.gz MVUPOAUWMJVMFP-UHFFFAOYSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001447769193 1391753980 /nfs/dbraw/zinc/75/39/80/1391753980.db2.gz DJHIIDGBTUXAJR-SJORKVTESA-N 2 0 341.927 2.641 20 30 EFEDRP C=CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001506980561 1406542985 /nfs/dbraw/zinc/54/29/85/1406542985.db2.gz VBTHZMZYKDWJBG-MOPGFXCFSA-N 2 0 329.488 2.884 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001496504259 1400778720 /nfs/dbraw/zinc/77/87/20/1400778720.db2.gz KTLCXBDALSNBFG-UHFFFAOYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865570 1401061406 /nfs/dbraw/zinc/06/14/06/1401061406.db2.gz XQORXWNZUQOBNN-CVEARBPZSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001501183497 1403480905 /nfs/dbraw/zinc/48/09/05/1403480905.db2.gz ACCNHTSSPQGTRP-FHWLQOOXSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001505399576 1404553708 /nfs/dbraw/zinc/55/37/08/1404553708.db2.gz RSVRNTKLIHUPNK-INIZCTEOSA-N 2 0 329.916 2.640 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001566771835 1415770066 /nfs/dbraw/zinc/77/00/66/1415770066.db2.gz BAMYJGRTUQYYFM-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001724741204 1424969332 /nfs/dbraw/zinc/96/93/32/1424969332.db2.gz NDPKLGWYHVNTMN-IBGZPJMESA-N 2 0 331.504 2.897 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(=C)C)CC1 ZINC000969156200 712943278 /nfs/dbraw/zinc/94/32/78/712943278.db2.gz MDUQFFUCLJKFPX-FQEVSTJZSA-N 2 0 345.531 2.659 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156479 712945460 /nfs/dbraw/zinc/94/54/60/712945460.db2.gz UCSGVZASTXMTEC-LJQANCHMSA-N 2 0 341.499 2.746 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001020502340 713087913 /nfs/dbraw/zinc/08/79/13/713087913.db2.gz JAZXEHVIMGRTTO-BFYDXBDKSA-N 2 0 339.911 2.773 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC1CC1 ZINC000304952531 713096377 /nfs/dbraw/zinc/09/63/77/713096377.db2.gz TXUGIUKRMXSUDM-GOSISDBHSA-N 2 0 344.503 2.672 20 30 EFEDRP N#Cc1ccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000069674364 713104281 /nfs/dbraw/zinc/10/42/81/713104281.db2.gz XWGNKRCDTQNBDF-UHFFFAOYSA-N 2 0 334.467 2.860 20 30 EFEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683430 713217595 /nfs/dbraw/zinc/21/75/95/713217595.db2.gz ZYXYXTMRTGKDFN-SJORKVTESA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024535761 717895055 /nfs/dbraw/zinc/89/50/55/717895055.db2.gz WZAJSEWNSQDZLY-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001020906691 713435408 /nfs/dbraw/zinc/43/54/08/713435408.db2.gz IHGDCNDAWVIXDJ-JYJNAYRXSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039154096 713536484 /nfs/dbraw/zinc/53/64/84/713536484.db2.gz PJNBGQLSOPDVAX-RTBURBONSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326238 713636528 /nfs/dbraw/zinc/63/65/28/713636528.db2.gz OLYLJAVHTDFIAT-APWZRJJASA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021285047 713732680 /nfs/dbraw/zinc/73/26/80/713732680.db2.gz ARFVLHXVWDPPIC-IPQPSQTFSA-N 2 0 345.531 2.632 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980216141 717929186 /nfs/dbraw/zinc/92/91/86/717929186.db2.gz QNIANKLTLDOITF-GVDBMIGSSA-N 2 0 342.487 2.554 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980218411 717933050 /nfs/dbraw/zinc/93/30/50/717933050.db2.gz NDVVELYBOCEDPS-ZCNNSNEGSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621958 714191629 /nfs/dbraw/zinc/19/16/29/714191629.db2.gz GAPMGAYPXPIVLG-HKUYNNGSSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571010 717961570 /nfs/dbraw/zinc/96/15/70/717961570.db2.gz QQYAQTDYUHFZGO-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001024615447 718027854 /nfs/dbraw/zinc/02/78/54/718027854.db2.gz SQCDFKGZVQLPJW-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974945268 715366378 /nfs/dbraw/zinc/36/63/78/715366378.db2.gz KAIQEADTSHHKBZ-RTBURBONSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947129 715368986 /nfs/dbraw/zinc/36/89/86/715368986.db2.gz NKFQCLZXTDBVEO-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947140 715370041 /nfs/dbraw/zinc/37/00/41/715370041.db2.gz NKFQCLZXTDBVEO-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947178 715370090 /nfs/dbraw/zinc/37/00/90/715370090.db2.gz NRAZBWQICYSRHZ-MOPGFXCFSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411171 715704778 /nfs/dbraw/zinc/70/47/78/715704778.db2.gz NQVUVCXZNBHWAW-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027411172 715704826 /nfs/dbraw/zinc/70/48/26/715704826.db2.gz NQVUVCXZNBHWAW-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972337733 715714486 /nfs/dbraw/zinc/71/44/86/715714486.db2.gz BQKWQBWLPRUCFI-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303777572 724421372 /nfs/dbraw/zinc/42/13/72/724421372.db2.gz IYIHKIFSNCAWBN-UHFFFAOYSA-N 2 0 346.544 2.782 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027461448 715891578 /nfs/dbraw/zinc/89/15/78/715891578.db2.gz ZEWBLOYIJFNTEF-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957045 716014870 /nfs/dbraw/zinc/01/48/70/716014870.db2.gz IHGDCNDAWVIXDJ-OWCLPIDISA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442662 716218590 /nfs/dbraw/zinc/21/85/90/716218590.db2.gz WZDDBYYTQIRGEI-SFHVURJKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977440710 716236481 /nfs/dbraw/zinc/23/64/81/716236481.db2.gz PUTYHJXVQIFLIJ-SFHVURJKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000977500401 716278200 /nfs/dbraw/zinc/27/82/00/716278200.db2.gz QXUFHIIUXQXVPD-KRWDZBQOSA-N 2 0 330.476 2.554 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978644048 716325828 /nfs/dbraw/zinc/32/58/28/716325828.db2.gz ZCVYHQRYLIWNAK-YSTOQKLRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542044 716373926 /nfs/dbraw/zinc/37/39/26/716373926.db2.gz HEIKEYNAKCUHGO-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641523 716433417 /nfs/dbraw/zinc/43/34/17/716433417.db2.gz NXFAOYQTHXMATD-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414103 716439241 /nfs/dbraw/zinc/43/92/41/716439241.db2.gz MTZLCFIBZPPZJW-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654439 716446276 /nfs/dbraw/zinc/44/62/76/716446276.db2.gz LPTRZOTZBNLZSW-SFHVURJKSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450893 716483437 /nfs/dbraw/zinc/48/34/37/716483437.db2.gz KFMZOSZWBDJJJF-SFHVURJKSA-N 2 0 333.520 2.657 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450891 716483588 /nfs/dbraw/zinc/48/35/88/716483588.db2.gz KFMZOSZWBDJJJF-GOSISDBHSA-N 2 0 333.520 2.657 20 30 EFEDRP C=C(Cl)CN1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453689 716487787 /nfs/dbraw/zinc/48/77/87/716487787.db2.gz FUCJJWIDLPOHQD-HNNXBMFYSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023455690 716494898 /nfs/dbraw/zinc/49/48/98/716494898.db2.gz OYWPYBKYVOXAOP-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552245 716615064 /nfs/dbraw/zinc/61/50/64/716615064.db2.gz BQHVYGLDNMCKTC-ICSRJNTNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761511 716974055 /nfs/dbraw/zinc/97/40/55/716974055.db2.gz BNWPNGXIEUBZIQ-GOSISDBHSA-N 2 0 329.488 2.766 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763200 716975243 /nfs/dbraw/zinc/97/52/43/716975243.db2.gz DVNKTSKZNNRWJK-QGZVFWFLSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930350 717244625 /nfs/dbraw/zinc/24/46/25/717244625.db2.gz OAMRNNZNSVQWLI-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980484864 717326196 /nfs/dbraw/zinc/32/61/96/717326196.db2.gz CPMFBERISZXATL-IRXDYDNUSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000980490810 717343328 /nfs/dbraw/zinc/34/33/28/717343328.db2.gz MOKZYEUDJVDYJY-IAGOWNOFSA-N 2 0 335.879 2.575 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979975553 717630016 /nfs/dbraw/zinc/63/00/16/717630016.db2.gz BPTAQEJGAMFXLZ-GBESFXJTSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083327 717728617 /nfs/dbraw/zinc/72/86/17/717728617.db2.gz IBPZLAIHCIDUTO-GVDBMIGSSA-N 2 0 338.455 2.659 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024441021 717740461 /nfs/dbraw/zinc/74/04/61/717740461.db2.gz XDHNFDGQIJFWEU-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980140176 717784185 /nfs/dbraw/zinc/78/41/85/717784185.db2.gz JZWGNOZWULDECT-OKZBNKHCSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478107 717790614 /nfs/dbraw/zinc/79/06/14/717790614.db2.gz QUTUELUSOSLGCS-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980144967 717793424 /nfs/dbraw/zinc/79/34/24/717793424.db2.gz RWCPYZAVPUVURA-RCCFBDPRSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980154021 717810341 /nfs/dbraw/zinc/81/03/41/717810341.db2.gz FUUNGCRUXCVEQT-RYQLBKOJSA-N 2 0 345.487 2.748 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC000980155190 717811671 /nfs/dbraw/zinc/81/16/71/717811671.db2.gz IAAYVOQKKUBYHX-SZMVWBNQSA-N 2 0 345.487 2.748 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980166097 717830239 /nfs/dbraw/zinc/83/02/39/717830239.db2.gz DVHNZUOASPZKFB-OKZBNKHCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980166098 717830337 /nfs/dbraw/zinc/83/03/37/717830337.db2.gz DVHNZUOASPZKFB-RCCFBDPRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885570 717831928 /nfs/dbraw/zinc/83/19/28/717831928.db2.gz HEXZKUKIACAJKN-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885574 717832344 /nfs/dbraw/zinc/83/23/44/717832344.db2.gz HEXZKUKIACAJKN-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520356 717855404 /nfs/dbraw/zinc/85/54/04/717855404.db2.gz IWAXWUAUDDSRCR-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985805867 724899561 /nfs/dbraw/zinc/89/95/61/724899561.db2.gz ZBZQGRZHMWAZAG-GASCZTMLSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981165462 718169679 /nfs/dbraw/zinc/16/96/79/718169679.db2.gz DAUIZXRUEIDQLE-CVEARBPZSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814045 718174474 /nfs/dbraw/zinc/17/44/74/718174474.db2.gz NIRHLXIWNWJKOD-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241323 718461225 /nfs/dbraw/zinc/46/12/25/718461225.db2.gz WIVGWWJDJIRDHF-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246776 718466905 /nfs/dbraw/zinc/46/69/05/718466905.db2.gz HCLVTXVBRWZOKY-ZWKOTPCHSA-N 2 0 331.504 2.646 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258218 718474212 /nfs/dbraw/zinc/47/42/12/718474212.db2.gz DPQGGTPWXQRHRJ-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985499740 724508906 /nfs/dbraw/zinc/50/89/06/724508906.db2.gz LXPCIQXZBFUGLX-UHFFFAOYSA-N 2 0 339.911 2.538 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260710 718488525 /nfs/dbraw/zinc/48/85/25/718488525.db2.gz YWJBBGAZVWISGM-RBUKOAKNSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275234 718513305 /nfs/dbraw/zinc/51/33/05/718513305.db2.gz VAQMERSIKLTECL-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275649 718514479 /nfs/dbraw/zinc/51/44/79/718514479.db2.gz YADJFZQNXYSPIP-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289364 718521303 /nfs/dbraw/zinc/52/13/03/718521303.db2.gz ZHBZGZKEJZCNDK-WOJBJXKFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287647 718524194 /nfs/dbraw/zinc/52/41/94/718524194.db2.gz FNVAWIIYBOPJIT-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301855 718540690 /nfs/dbraw/zinc/54/06/90/718540690.db2.gz QGIUDYVGJCLVDE-WOJBJXKFSA-N 2 0 345.531 2.731 20 30 EFEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238258 718542704 /nfs/dbraw/zinc/54/27/04/718542704.db2.gz HFKQOCRVNJIADR-ZWKOTPCHSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238009 718547232 /nfs/dbraw/zinc/54/72/32/718547232.db2.gz DVMZOMBOCRBHMO-RTBURBONSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981296058 718601504 /nfs/dbraw/zinc/60/15/04/718601504.db2.gz DRVVZPAIGVNWMJ-GJZGRUSLSA-N 2 0 339.867 2.724 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981296060 718601625 /nfs/dbraw/zinc/60/16/25/718601625.db2.gz DRVVZPAIGVNWMJ-HUUCEWRRSA-N 2 0 339.867 2.724 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981515646 718776891 /nfs/dbraw/zinc/77/68/91/718776891.db2.gz YFFZWQYIEXKIPK-UHFFFAOYSA-N 2 0 326.444 2.757 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433288 718837405 /nfs/dbraw/zinc/83/74/05/718837405.db2.gz MFPFXTGAUMGVEU-HOTGVXAUSA-N 2 0 347.528 2.663 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433704 718838900 /nfs/dbraw/zinc/83/89/00/718838900.db2.gz OHEFXPODGUBCFA-CVEARBPZSA-N 2 0 347.528 2.663 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450946 718881020 /nfs/dbraw/zinc/88/10/20/718881020.db2.gz OBTBYRKXKAYQEJ-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454294 718897775 /nfs/dbraw/zinc/89/77/75/718897775.db2.gz WZNNVPQUGOHUQP-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687796 718943651 /nfs/dbraw/zinc/94/36/51/718943651.db2.gz PRAPYGBVYFAVGT-UHFFFAOYSA-N 2 0 343.515 2.905 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486745 719002016 /nfs/dbraw/zinc/00/20/16/719002016.db2.gz WJTXJRAMTCRVMH-HOTGVXAUSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768918 719028039 /nfs/dbraw/zinc/02/80/39/719028039.db2.gz VJWCJIJAWZDBMD-GOSISDBHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3CC)C2)C1 ZINC000981781184 719038794 /nfs/dbraw/zinc/03/87/94/719038794.db2.gz WOPNCQGHPIFESS-KRWDZBQOSA-N 2 0 344.503 2.897 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC000981813812 719062236 /nfs/dbraw/zinc/06/22/36/719062236.db2.gz RATVEKIDHBXLEK-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981843223 719121221 /nfs/dbraw/zinc/12/12/21/719121221.db2.gz XBFUEZFIOHEHGN-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593863 719190117 /nfs/dbraw/zinc/19/01/17/719190117.db2.gz WLDCYIGSFZBFTR-XLIONFOSSA-N 2 0 347.547 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629678 719254415 /nfs/dbraw/zinc/25/44/15/719254415.db2.gz IQBRSLFRUBGVRA-AZUAARDMSA-N 2 0 345.531 2.515 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630939 719258609 /nfs/dbraw/zinc/25/86/09/719258609.db2.gz XDEVIKGXTILSIX-MSOLQXFVSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062642 719516717 /nfs/dbraw/zinc/51/67/17/719516717.db2.gz APEHLYYSBUZCSE-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982115796 719572876 /nfs/dbraw/zinc/57/28/76/719572876.db2.gz BMFRWFROVBQINI-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116800 719574508 /nfs/dbraw/zinc/57/45/08/719574508.db2.gz SUZNPKVPPJZIKG-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163538 719607461 /nfs/dbraw/zinc/60/74/61/719607461.db2.gz FKURKTXERZHUCT-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275434 719773182 /nfs/dbraw/zinc/77/31/82/719773182.db2.gz GRHLUBIKXPBNLA-YSIASYRMSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982295741 719837170 /nfs/dbraw/zinc/83/71/70/719837170.db2.gz CDDNTFJIASRDMA-SESVDKBCSA-N 2 0 347.547 2.996 20 30 EFEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262781803 724624684 /nfs/dbraw/zinc/62/46/84/724624684.db2.gz LGFGGXLESUJISJ-SJLPKXTDSA-N 2 0 339.487 2.526 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254564 719890449 /nfs/dbraw/zinc/89/04/49/719890449.db2.gz XGDXXGCQSNKLOV-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982429268 720049714 /nfs/dbraw/zinc/04/97/14/720049714.db2.gz PDTYCKSIOXRTOR-BGYRXZFFSA-N 2 0 333.520 2.607 20 30 EFEDRP C[NH+]1CCC(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000893219301 720096652 /nfs/dbraw/zinc/09/66/52/720096652.db2.gz FYNFQISOTKONNB-UHFFFAOYSA-N 2 0 328.460 2.575 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332884 720372453 /nfs/dbraw/zinc/37/24/53/720372453.db2.gz FSMICQNFEDUJGQ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]12 ZINC001026391007 720468677 /nfs/dbraw/zinc/46/86/77/720468677.db2.gz AJYHEEBOTQXGOO-CEXWTWQISA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001026425996 720553220 /nfs/dbraw/zinc/55/32/20/720553220.db2.gz IISMXTZDZFNGKP-DFQSSKMNSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001026586453 720784844 /nfs/dbraw/zinc/78/48/44/720784844.db2.gz JQMZYDXOEHPYKQ-UHFFFAOYSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001026610236 720820425 /nfs/dbraw/zinc/82/04/25/720820425.db2.gz IEWZKYKSTDMMLI-GPANFISMSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccnc3C(C)C)C[C@@]2(C)C1 ZINC000982598786 720932095 /nfs/dbraw/zinc/93/20/95/720932095.db2.gz KXYWKTIXTJUDSP-BGYRXZFFSA-N 2 0 344.503 2.753 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982670655 721074392 /nfs/dbraw/zinc/07/43/92/721074392.db2.gz HYCNKRCQOAVMMV-OYRHEFFESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594167 721231958 /nfs/dbraw/zinc/23/19/58/721231958.db2.gz DBKAJWUWZBTQRK-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833328 721307872 /nfs/dbraw/zinc/30/78/72/721307872.db2.gz IMKRZUUMOJUQAI-SESVDKBCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833556 721308971 /nfs/dbraw/zinc/30/89/71/721308971.db2.gz NREQBJKFNXXHQN-NRSPTQNISA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)CN1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974827073 721462645 /nfs/dbraw/zinc/46/26/45/721462645.db2.gz JQHNWNDWKOTQHP-OAHLLOKOSA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000985681709 724791624 /nfs/dbraw/zinc/79/16/24/724791624.db2.gz BIJPDKALHUNZHH-MRXNPFEDSA-N 2 0 341.927 2.926 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985700752 724811259 /nfs/dbraw/zinc/81/12/59/724811259.db2.gz FYTGCFLUTNQQOO-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)CC1 ZINC000896208292 723198077 /nfs/dbraw/zinc/19/80/77/723198077.db2.gz BTHKOVOOMKXORY-IBGZPJMESA-N 2 0 345.487 2.501 20 30 EFEDRP CN(c1ccccc1CN1CCC[C@@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000896505170 723330146 /nfs/dbraw/zinc/33/01/46/723330146.db2.gz ZATQTBIGXFVJOA-KRWDZBQOSA-N 2 0 326.488 2.953 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000939313801 728867003 /nfs/dbraw/zinc/86/70/03/728867003.db2.gz JDUNNWOLNFGYSV-DYVFJYSZSA-N 2 0 335.879 2.551 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000939313802 728867140 /nfs/dbraw/zinc/86/71/40/728867140.db2.gz JDUNNWOLNFGYSV-GUYCJALGSA-N 2 0 335.879 2.551 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000985744307 724849544 /nfs/dbraw/zinc/84/95/44/724849544.db2.gz YDRROAVYYIOWNT-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985803818 724898255 /nfs/dbraw/zinc/89/82/55/724898255.db2.gz KQUIEEOEQLMNHF-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP CCOCCC[N@@H+]1CCC(=Nn2cc(Br)cn2)[C@@H](C)C1 ZINC000752743721 725443619 /nfs/dbraw/zinc/44/36/19/725443619.db2.gz XJNKDVMZKLCDIM-LBPRGKRZSA-N 2 0 343.269 2.618 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967051 725458945 /nfs/dbraw/zinc/45/89/45/725458945.db2.gz LZNQKCVLFRXNJA-WMZOPIPTSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136559 725554214 /nfs/dbraw/zinc/55/42/14/725554214.db2.gz KERDFAZABAZJLG-JPLJXNOCSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992153272 725566487 /nfs/dbraw/zinc/56/64/87/725566487.db2.gz UVAYDWDPQKLMHZ-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992317674 725711281 /nfs/dbraw/zinc/71/12/81/725711281.db2.gz PCKPEUWPNFWTEM-UYAOXDASSA-N 2 0 327.472 2.661 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987551436 725748170 /nfs/dbraw/zinc/74/81/70/725748170.db2.gz OCOALCAAWQXQGP-WMLDXEAASA-N 2 0 335.879 2.693 20 30 EFEDRP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000089072769 725772981 /nfs/dbraw/zinc/77/29/81/725772981.db2.gz SUFINVYOGIAETN-MRXNPFEDSA-N 2 0 349.548 2.643 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000987607058 725778087 /nfs/dbraw/zinc/77/80/87/725778087.db2.gz XHNNHAUXOBTQIR-NVXWUHKLSA-N 2 0 333.476 2.890 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992404772 725781033 /nfs/dbraw/zinc/78/10/33/725781033.db2.gz MMVCXWKBNJYLGX-FPOVZHCZSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC000992864521 726302737 /nfs/dbraw/zinc/30/27/37/726302737.db2.gz YQXNKMHZEFYHKI-BPQIPLTHSA-N 2 0 342.487 2.554 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC000992858436 726308302 /nfs/dbraw/zinc/30/83/02/726308302.db2.gz ZTLMCVZUVLQPSS-CEXWTWQISA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC000992929051 726344865 /nfs/dbraw/zinc/34/48/65/726344865.db2.gz DPQVKIGZOHMYHB-MISYRCLQSA-N 2 0 341.499 2.765 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630181 727348416 /nfs/dbraw/zinc/34/84/16/727348416.db2.gz KLNDHFGPJHOZAJ-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993804540 727526721 /nfs/dbraw/zinc/52/67/21/727526721.db2.gz LCOZKFJLICEJMP-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201936 727622149 /nfs/dbraw/zinc/62/21/49/727622149.db2.gz INOVZAWVTILCSZ-QFBILLFUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994203255 727622364 /nfs/dbraw/zinc/62/23/64/727622364.db2.gz KSLOOBPBRXTSSP-LPHOPBHVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C(C)C ZINC000917070966 727763974 /nfs/dbraw/zinc/76/39/74/727763974.db2.gz KZJIXOWJGSIITB-UHFFFAOYSA-N 2 0 344.503 2.663 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098901 728299964 /nfs/dbraw/zinc/29/99/64/728299964.db2.gz CNPZIEKGXFQLCO-GDBMZVCRSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942174098 728343743 /nfs/dbraw/zinc/34/37/43/728343743.db2.gz UDJOMAGIUKFXKE-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942174099 728343750 /nfs/dbraw/zinc/34/37/50/728343750.db2.gz UDJOMAGIUKFXKE-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918934 728360273 /nfs/dbraw/zinc/36/02/73/728360273.db2.gz XDMYNKWQAOFPRH-IBGZPJMESA-N 2 0 333.520 2.798 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000170913025 728495155 /nfs/dbraw/zinc/49/51/55/728495155.db2.gz YCKIXERZPVWVFT-KRWDZBQOSA-N 2 0 332.492 2.610 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829549 728529625 /nfs/dbraw/zinc/52/96/25/728529625.db2.gz PQKQPSSWDZLAPJ-RTBURBONSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(C)CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000948898632 728639413 /nfs/dbraw/zinc/63/94/13/728639413.db2.gz KMVDHTJTYDULMO-PMACEKPBSA-N 2 0 341.499 2.762 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047263271 729527340 /nfs/dbraw/zinc/52/73/40/729527340.db2.gz DQSIJAQZUUQXIK-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@H]1CCC[N@@H+]1CC ZINC001574836112 1088114727 /nfs/dbraw/zinc/11/47/27/1088114727.db2.gz UYPRXNNQBZBDMI-SJORKVTESA-N 2 0 346.523 2.589 20 30 EFEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892437 1088142730 /nfs/dbraw/zinc/14/27/30/1088142730.db2.gz DQVZLTUDPMODEM-FBBABVLZSA-N 2 0 341.499 2.712 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574902027 1088144882 /nfs/dbraw/zinc/14/48/82/1088144882.db2.gz ZDEPVUHIQVSMBJ-RBUKOAKNSA-N 2 0 329.488 2.793 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)C(C)C ZINC001574927306 1088157000 /nfs/dbraw/zinc/15/70/00/1088157000.db2.gz JPXBSXLLIJBKTP-QZTJIDSGSA-N 2 0 336.524 2.598 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCCC[C@@H]([NH3+])C1)C(C)C ZINC001574927305 1088157192 /nfs/dbraw/zinc/15/71/92/1088157192.db2.gz JPXBSXLLIJBKTP-MSOLQXFVSA-N 2 0 336.524 2.598 20 30 EFEDRP CC(C)(C#N)c1ccc(CNc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001575101451 1088242327 /nfs/dbraw/zinc/24/23/27/1088242327.db2.gz ZOIWYFMTMPBETM-UHFFFAOYSA-N 2 0 335.455 2.904 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC ZINC001647474949 1089463774 /nfs/dbraw/zinc/46/37/74/1089463774.db2.gz SBEMFXGWPGGKNJ-QGZVFWFLSA-N 2 0 331.460 2.808 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961095 1090733713 /nfs/dbraw/zinc/73/37/13/1090733713.db2.gz AWMHRCKTUFZWME-MOPGFXCFSA-N 2 0 349.482 2.780 20 30 EFEDRP Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961668 1090733762 /nfs/dbraw/zinc/73/37/62/1090733762.db2.gz PRMSDQGMKNGCCS-FPOVZHCZSA-N 2 0 349.482 2.910 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001580066831 1090761257 /nfs/dbraw/zinc/76/12/57/1090761257.db2.gz WQALURLPQPZYOQ-SFHVURJKSA-N 2 0 326.488 2.502 20 30 EFEDRP N#Cc1ccc(OC2CC[NH+](CCC3CC[NH2+]CC3)CC2)c(F)c1 ZINC001580071316 1090762720 /nfs/dbraw/zinc/76/27/20/1090762720.db2.gz DMCALKZVXSANPY-UHFFFAOYSA-N 2 0 331.435 2.930 20 30 EFEDRP N#Cc1cccc(NC(=O)CC[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC001580076009 1090765156 /nfs/dbraw/zinc/76/51/56/1090765156.db2.gz NGVPAGAZIWCJJP-UHFFFAOYSA-N 2 0 328.460 2.728 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104389283 1092254756 /nfs/dbraw/zinc/25/47/56/1092254756.db2.gz SKLJRJJYLMDYDG-CZUORRHYSA-N 2 0 346.862 2.775 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599541 1093007066 /nfs/dbraw/zinc/00/70/66/1093007066.db2.gz KZHMNTAYNXUGCW-UHFFFAOYSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449845 1093280731 /nfs/dbraw/zinc/28/07/31/1093280731.db2.gz JBEYKKZFTUNNRA-QRQLOZEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001104451418 1093291460 /nfs/dbraw/zinc/29/14/60/1093291460.db2.gz ZHPDJTLYGXIFHI-RTBURBONSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461748 1093329075 /nfs/dbraw/zinc/32/90/75/1093329075.db2.gz QFGCQUNUXYFLDI-SFHVURJKSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482588 1093521261 /nfs/dbraw/zinc/52/12/61/1093521261.db2.gz XPMXBBFCHPEUIZ-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516524 1093549137 /nfs/dbraw/zinc/54/91/37/1093549137.db2.gz ONRULAHPRNZNRY-JPLJXNOCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615692 1094309732 /nfs/dbraw/zinc/30/97/32/1094309732.db2.gz BMRJBRSXRYQSOK-VQTJNVASSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588278 1094370186 /nfs/dbraw/zinc/37/01/86/1094370186.db2.gz JALKDQLVHDAEDK-YDZRNGNQSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104624461 1094460357 /nfs/dbraw/zinc/46/03/57/1094460357.db2.gz WHEIKULFWOCTHP-ZIFCJYIRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522505 1094732257 /nfs/dbraw/zinc/73/22/57/1094732257.db2.gz BHYCSAZBTIFFKQ-ICSRJNTNSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112530010 1094772587 /nfs/dbraw/zinc/77/25/87/1094772587.db2.gz ZAHZWGBSHVOPEL-HBFSDRIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211695198 1095040395 /nfs/dbraw/zinc/04/03/95/1095040395.db2.gz PUTLPIJYLIGZFV-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301914 1095140811 /nfs/dbraw/zinc/14/08/11/1095140811.db2.gz KKULCTHXCXZXFM-CEXWTWQISA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303007 1095161108 /nfs/dbraw/zinc/16/11/08/1095161108.db2.gz FCMFBYRPJWQFHX-KBAYOESNSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001087311790 1095252519 /nfs/dbraw/zinc/25/25/19/1095252519.db2.gz URUGWKUZXGPZAQ-CEXWTWQISA-N 2 0 347.547 2.898 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753457 1095672849 /nfs/dbraw/zinc/67/28/49/1095672849.db2.gz BRFZMLPKTKSBBB-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753675 1095677118 /nfs/dbraw/zinc/67/71/18/1095677118.db2.gz NLJUQDQSVJPQPL-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703101 1095930786 /nfs/dbraw/zinc/93/07/86/1095930786.db2.gz UZTMMWOYZONPFA-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167699362 1096003726 /nfs/dbraw/zinc/00/37/26/1096003726.db2.gz JGCKKNUJGKWFKU-IBGZPJMESA-N 2 0 329.488 2.526 20 30 EFEDRP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001087437400 1096021572 /nfs/dbraw/zinc/02/15/72/1096021572.db2.gz PUCHTRYXGHVLIC-MISYRCLQSA-N 2 0 341.499 2.631 20 30 EFEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000695865396 1098818786 /nfs/dbraw/zinc/81/87/86/1098818786.db2.gz TVZJVXNIZLFDID-GOSISDBHSA-N 2 0 328.504 2.722 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104896437 1098933353 /nfs/dbraw/zinc/93/33/53/1098933353.db2.gz YOIYHQMVBIPFRI-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913869 1099006173 /nfs/dbraw/zinc/00/61/73/1099006173.db2.gz IXOAUEDQGLZDJP-FGTMMUONSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268784 1099012089 /nfs/dbraw/zinc/01/20/89/1099012089.db2.gz VSCWUKQWFWAJER-QKLQHJQFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)Cc2cncn2C)CC1 ZINC001167737607 1099030378 /nfs/dbraw/zinc/03/03/78/1099030378.db2.gz XLARYZWPNIJEHK-UHFFFAOYSA-N 2 0 332.492 2.585 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211662258 1099226517 /nfs/dbraw/zinc/22/65/17/1099226517.db2.gz XOUKPMPWJONVHM-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559532 1099310626 /nfs/dbraw/zinc/31/06/26/1099310626.db2.gz ADXKWSBSNXHXFQ-INIZCTEOSA-N 2 0 327.488 2.651 20 30 EFEDRP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001267827694 1099477571 /nfs/dbraw/zinc/47/75/71/1099477571.db2.gz MDVROXDNMGTFGM-ROUUACIJSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058571 1099505893 /nfs/dbraw/zinc/50/58/93/1099505893.db2.gz MGNJLZRGMFLFLB-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164800 1100490505 /nfs/dbraw/zinc/49/05/05/1100490505.db2.gz RYWFHXFCXUNGAP-KFWWJZLASA-N 2 0 349.441 2.662 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573102 1100541032 /nfs/dbraw/zinc/54/10/32/1100541032.db2.gz UABZKLYEOXKIJU-YZGWKJHDSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395620 1100556797 /nfs/dbraw/zinc/55/67/97/1100556797.db2.gz BMBGYPNSNICTIS-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1CC ZINC001087607296 1100586737 /nfs/dbraw/zinc/58/67/37/1100586737.db2.gz WPZZUOPILUBLJO-ZCNNSNEGSA-N 2 0 343.515 2.554 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671372 1100651635 /nfs/dbraw/zinc/65/16/35/1100651635.db2.gz AHABVFVMZFDBMX-VQTJNVASSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)[C@H]1CC ZINC001087704867 1100676241 /nfs/dbraw/zinc/67/62/41/1100676241.db2.gz LIQPGRYVHZPSJN-YTQUADARSA-N 2 0 344.503 2.689 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966671 1101094813 /nfs/dbraw/zinc/09/48/13/1101094813.db2.gz PDHZMTSWFQUVFV-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001087967398 1101097580 /nfs/dbraw/zinc/09/75/80/1101097580.db2.gz VDRMPZGGIQGRSH-QYZOEREBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426612 1101584413 /nfs/dbraw/zinc/58/44/13/1101584413.db2.gz VNORCZFTNAEWPA-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129859 1101623822 /nfs/dbraw/zinc/62/38/22/1101623822.db2.gz KGCGFRHHTNTXRW-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001088212858 1101891577 /nfs/dbraw/zinc/89/15/77/1101891577.db2.gz WTDVBCLIJOIEOY-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167461092 1102039920 /nfs/dbraw/zinc/03/99/20/1102039920.db2.gz XYGZTESAPZCTLR-UHFFFAOYSA-N 2 0 329.488 2.814 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236275 1102112659 /nfs/dbraw/zinc/11/26/59/1102112659.db2.gz JEZJFUIWPGQJKK-ZWKOTPCHSA-N 2 0 335.536 2.807 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001104370271 1102343495 /nfs/dbraw/zinc/34/34/95/1102343495.db2.gz SVFSGBPWPHIXCJ-QZTJIDSGSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264739 1102394392 /nfs/dbraw/zinc/39/43/92/1102394392.db2.gz CBVDNVRCWUBMJD-OIISXLGYSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264778 1102395464 /nfs/dbraw/zinc/39/54/64/1102395464.db2.gz DLGOYSXDCWIPHW-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287971 1102592563 /nfs/dbraw/zinc/59/25/63/1102592563.db2.gz OFEHHBZBDNTDEE-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001088314779 1102865516 /nfs/dbraw/zinc/86/55/16/1102865516.db2.gz GSCBPLZRLLZOBS-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001088321993 1102908329 /nfs/dbraw/zinc/90/83/29/1102908329.db2.gz USZVHUMPXKLUJM-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088329904 1102941977 /nfs/dbraw/zinc/94/19/77/1102941977.db2.gz KAVHGDZSZVDRBG-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352996 1103124513 /nfs/dbraw/zinc/12/45/13/1103124513.db2.gz OCOFIOKTPNBIRU-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001088369636 1103203634 /nfs/dbraw/zinc/20/36/34/1103203634.db2.gz OREGXGALDQLEQO-YESZJQIVSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001271954417 1103239911 /nfs/dbraw/zinc/23/99/11/1103239911.db2.gz VIOZMHVJHIEWJE-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271954719 1103244423 /nfs/dbraw/zinc/24/44/23/1103244423.db2.gz YJGMKDCIYYHMPA-KDURUIRLSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(Cl)CN1CC[C@]2(NC(=O)[C@@H]3CCCc4nccn43)CCC[C@@H]12 ZINC000991065780 1103384807 /nfs/dbraw/zinc/38/48/07/1103384807.db2.gz GORCJYYWPREIPJ-HDMKZQKVSA-N 2 0 348.878 2.626 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001088393323 1103401783 /nfs/dbraw/zinc/40/17/83/1103401783.db2.gz BGGOXMRFVZQZPL-KRWDZBQOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001088430639 1103580686 /nfs/dbraw/zinc/58/06/86/1103580686.db2.gz UVWHSKBKFQWWJW-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001105428914 1103961618 /nfs/dbraw/zinc/96/16/18/1103961618.db2.gz FWKWPKGEQBCEDL-SBHAEUEKSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001105429238 1103990106 /nfs/dbraw/zinc/99/01/06/1103990106.db2.gz RRXBCTZMZRLXDK-RVWIWJKTSA-N 2 0 343.515 2.709 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001105429244 1103990861 /nfs/dbraw/zinc/99/08/61/1103990861.db2.gz SAARURCKLVYWJY-SBHAEUEKSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378213 1104115727 /nfs/dbraw/zinc/11/57/27/1104115727.db2.gz RHXIYLZHOJKBMY-OAQYLSRUSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378848 1104128002 /nfs/dbraw/zinc/12/80/02/1104128002.db2.gz XDZRSSTXPNZQIC-NRFANRHFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001105445328 1104193274 /nfs/dbraw/zinc/19/32/74/1104193274.db2.gz YWAFRNUSVOBEEQ-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001105446539 1104204529 /nfs/dbraw/zinc/20/45/29/1104204529.db2.gz NMIFFEZUFOFCRX-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569070 1104588809 /nfs/dbraw/zinc/58/88/09/1104588809.db2.gz GBMKIINOVRAXGF-LMMKCTJWSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001665001287 1104610744 /nfs/dbraw/zinc/61/07/44/1104610744.db2.gz TVJJHBDEHYPGTD-ZWKOTPCHSA-N 2 0 344.503 2.773 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264112534 1105598720 /nfs/dbraw/zinc/59/87/20/1105598720.db2.gz RHIXUUCJOGBTOC-ZIAGYGMSSA-N 2 0 334.464 2.551 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105518086 1105864716 /nfs/dbraw/zinc/86/47/16/1105864716.db2.gz QKCBDEAVWNHVHY-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539550 1105910192 /nfs/dbraw/zinc/91/01/92/1105910192.db2.gz JPIKUAIBPVLERF-OALUTQOASA-N 2 0 345.531 2.655 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@H]2C)CCC1 ZINC001105560875 1105939036 /nfs/dbraw/zinc/93/90/36/1105939036.db2.gz FBCQGSBESFYYSE-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)[NH+](CC)CC)CCC1 ZINC001105561789 1105939188 /nfs/dbraw/zinc/93/91/88/1105939188.db2.gz RICUSXKZMNCAGY-OALUTQOASA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)[NH+](CC)CC)CCC1 ZINC001105561798 1105939840 /nfs/dbraw/zinc/93/98/40/1105939840.db2.gz RICUSXKZMNCAGY-RBUKOAKNSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H](C)n2ccnc2)CCC1 ZINC001105566746 1105944028 /nfs/dbraw/zinc/94/40/28/1105944028.db2.gz UISNLJXUVWPQEC-QZTJIDSGSA-N 2 0 342.487 2.608 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)CCC1 ZINC001105579916 1105975210 /nfs/dbraw/zinc/97/52/10/1105975210.db2.gz YZAIRWNTFFGEAO-LJQANCHMSA-N 2 0 345.531 2.637 20 30 EFEDRP C=CCC[N@H+]1CCCN(C(=O)[C@@](C)(c2ccccc2)N(C)C)CC1 ZINC000989459526 1106288958 /nfs/dbraw/zinc/28/89/58/1106288958.db2.gz XPMBDLORWVWGFA-HXUWFJFHSA-N 2 0 329.488 2.574 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989562918 1106446302 /nfs/dbraw/zinc/44/63/02/1106446302.db2.gz SHMSQHZXENRTHC-YOEHRIQHSA-N 2 0 335.879 2.693 20 30 EFEDRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001168305869 1106478473 /nfs/dbraw/zinc/47/84/73/1106478473.db2.gz RZTIFIILALDORL-UHFFFAOYSA-N 2 0 340.515 2.985 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCC([NH+](C)C)CC3)C2)C1 ZINC001168313359 1106603269 /nfs/dbraw/zinc/60/32/69/1106603269.db2.gz AFSSRIFLJUNSKU-AFMYVXGZSA-N 2 0 349.519 2.970 20 30 EFEDRP C=CCOC(=O)N1CCC2(C[NH+](C3CCC([NH+](C)C)CC3)C2)CC1 ZINC001168314893 1106618415 /nfs/dbraw/zinc/61/84/15/1106618415.db2.gz HPQWYHYOZNEMDA-UHFFFAOYSA-N 2 0 335.492 2.580 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168316483 1106626623 /nfs/dbraw/zinc/62/66/23/1106626623.db2.gz ZBWFNYAQKTYSMZ-UHFFFAOYSA-N 2 0 335.492 2.580 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022709 1107089338 /nfs/dbraw/zinc/08/93/38/1107089338.db2.gz VYYCNYAAUBAPCC-NLWGTHIKSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106414 1107503972 /nfs/dbraw/zinc/50/39/72/1107503972.db2.gz FLBYNCCDIFMFBL-ZWKOTPCHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040249938 1107646077 /nfs/dbraw/zinc/64/60/77/1107646077.db2.gz GKQQMADULMFBGG-AZUAARDMSA-N 2 0 335.536 2.853 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106150022 1108657128 /nfs/dbraw/zinc/65/71/28/1108657128.db2.gz ZQGQRAYPKWODKK-NCXUSEDFSA-N 2 0 337.552 2.981 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812188 1109104142 /nfs/dbraw/zinc/10/41/42/1109104142.db2.gz RAFGZGKHQFGQMV-NEWSRXKRSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248590 1111216560 /nfs/dbraw/zinc/21/65/60/1111216560.db2.gz UATCMONAELMOIJ-GUDVDZBRSA-N 2 0 335.536 2.615 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106312451 1111399457 /nfs/dbraw/zinc/39/94/57/1111399457.db2.gz IDUYERVJJZGCHU-KZNAEPCWSA-N 2 0 325.541 2.981 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C ZINC001106318962 1111406134 /nfs/dbraw/zinc/40/61/34/1111406134.db2.gz QLMFXSZMQPGQFK-GDBMZVCRSA-N 2 0 326.444 2.827 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001106349993 1111442911 /nfs/dbraw/zinc/44/29/11/1111442911.db2.gz VAZADPPBDBLDBB-IAGOWNOFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431962 1111525945 /nfs/dbraw/zinc/52/59/45/1111525945.db2.gz NWNKFRBIOFAZCP-SOLBZPMBSA-N 2 0 340.471 2.987 20 30 EFEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229252 1111564014 /nfs/dbraw/zinc/56/40/14/1111564014.db2.gz ICMLIISLKLXSAO-ROUUACIJSA-N 2 0 335.536 2.737 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106477962 1111568796 /nfs/dbraw/zinc/56/87/96/1111568796.db2.gz VCIZBASUYSBTLI-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099240938 1111682614 /nfs/dbraw/zinc/68/26/14/1111682614.db2.gz WIIMUBWAKDYTGA-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106730721 1111775687 /nfs/dbraw/zinc/77/56/87/1111775687.db2.gz MRWNNMOIWSLCSK-ZHALLVOQSA-N 2 0 335.536 2.757 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839759 1111902217 /nfs/dbraw/zinc/90/22/17/1111902217.db2.gz NVZVZHYCRMALBU-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874270 1111942686 /nfs/dbraw/zinc/94/26/86/1111942686.db2.gz ABNHLNUZKOCSOX-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874269 1111942870 /nfs/dbraw/zinc/94/28/70/1111942870.db2.gz ABNHLNUZKOCSOX-CEXWTWQISA-N 2 0 335.536 2.759 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC(C)(C)C1 ZINC001089420111 1112096643 /nfs/dbraw/zinc/09/66/43/1112096643.db2.gz JSVFNHHAFZWICR-HNNXBMFYSA-N 2 0 326.444 2.969 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089427152 1112117878 /nfs/dbraw/zinc/11/78/78/1112117878.db2.gz OLQOHMVZCOXYJD-RBUKOAKNSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536308 1112275782 /nfs/dbraw/zinc/27/57/82/1112275782.db2.gz BBOXWZDQRKHCDU-HOTGVXAUSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534388 1112280039 /nfs/dbraw/zinc/28/00/39/1112280039.db2.gz RBJOFMKZJDMHKT-SFHVURJKSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC(C)(C)C1 ZINC001089538612 1112284132 /nfs/dbraw/zinc/28/41/32/1112284132.db2.gz XLCPFKOCBQWIKY-RTBURBONSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)CC(C)(C)C2)CC1 ZINC001089560595 1112308756 /nfs/dbraw/zinc/30/87/56/1112308756.db2.gz BRGDHKCPRYDLJX-IBGZPJMESA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089642425 1112436428 /nfs/dbraw/zinc/43/64/28/1112436428.db2.gz LPHUFSQGQJGLFL-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649644 1112478801 /nfs/dbraw/zinc/47/88/01/1112478801.db2.gz MECDDRGOINDOJM-RTBURBONSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717853 1112935150 /nfs/dbraw/zinc/93/51/50/1112935150.db2.gz GOMUDYXHYSDEDO-IBGZPJMESA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001089726788 1112965093 /nfs/dbraw/zinc/96/50/93/1112965093.db2.gz RBWYWIRZCCXVEL-PXNSSMCTSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001484822558 1117758443 /nfs/dbraw/zinc/75/84/43/1117758443.db2.gz GSWRDMTWBPSXOE-VQTJNVASSA-N 2 0 343.515 2.836 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001040910789 1117990408 /nfs/dbraw/zinc/99/04/08/1117990408.db2.gz SMOUZPYCTGPPEY-UHFFFAOYSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001106937189 1118627214 /nfs/dbraw/zinc/62/72/14/1118627214.db2.gz NERDNGYWNGQCPP-QZTJIDSGSA-N 2 0 346.519 2.783 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106997434 1119315744 /nfs/dbraw/zinc/31/57/44/1119315744.db2.gz FAAWCKYJRFOWNE-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998693 1119350754 /nfs/dbraw/zinc/35/07/54/1119350754.db2.gz WEDDMIPQXXOOBT-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCCCC)[C@H](C)C2)CC1 ZINC001107034098 1119920791 /nfs/dbraw/zinc/92/07/91/1119920791.db2.gz IPCWFGGDZKMNGH-UYAOXDASSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037484 1120033895 /nfs/dbraw/zinc/03/38/95/1120033895.db2.gz LIDOEQKDVGAMGN-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037646 1120034583 /nfs/dbraw/zinc/03/45/83/1120034583.db2.gz ZPMAESVFCUPRMV-OIISXLGYSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071390 1120258140 /nfs/dbraw/zinc/25/81/40/1120258140.db2.gz KSMUNRRSBLDPCO-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCCC1 ZINC000083029804 1120739409 /nfs/dbraw/zinc/73/94/09/1120739409.db2.gz KMORETSJZRDNDN-INIZCTEOSA-N 2 0 330.476 2.679 20 30 EFEDRP N#Cc1ccccc1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963134 231083645 /nfs/dbraw/zinc/08/36/45/231083645.db2.gz PFDYZJIZVQJXAC-UHFFFAOYSA-N 2 0 343.471 2.514 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000192051710 283139382 /nfs/dbraw/zinc/13/93/82/283139382.db2.gz UZQQUQKEYJXNSB-UHFFFAOYSA-N 2 0 331.435 2.774 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262428756 240350679 /nfs/dbraw/zinc/35/06/79/240350679.db2.gz SDJBDPVOXOPBPT-XUVXKRRUSA-N 2 0 340.515 2.611 20 30 EFEDRP C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000262438360 240353295 /nfs/dbraw/zinc/35/32/95/240353295.db2.gz MMRJMRGWYJUZQF-MJGOQNOKSA-N 2 0 328.504 2.655 20 30 EFEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)([NH+](C)C)C1 ZINC000262563943 240360457 /nfs/dbraw/zinc/36/04/57/240360457.db2.gz XFYVDJXCAGAPNI-SYNHAJSKSA-N 2 0 344.503 2.925 20 30 EFEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccc2c(c1)OCCCO2 ZINC000262768321 240366598 /nfs/dbraw/zinc/36/65/98/240366598.db2.gz LGBRUHMVXSOUPK-MRXNPFEDSA-N 2 0 344.459 2.591 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104172501 238859599 /nfs/dbraw/zinc/85/95/99/238859599.db2.gz HGEQRNMDYWRWLJ-NSHDSACASA-N 2 0 342.365 2.796 20 30 EFEDRP C[C@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccccc3)c2)CCO1 ZINC000161548156 239072443 /nfs/dbraw/zinc/07/24/43/239072443.db2.gz WPISUGABDZEOHV-INIZCTEOSA-N 2 0 338.455 2.834 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654399 201306426 /nfs/dbraw/zinc/30/64/26/201306426.db2.gz SSITYCIWHRWDNN-ROUUACIJSA-N 2 0 330.472 2.850 20 30 EFEDRP C=CCc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(OC)c1O ZINC000278070801 201307197 /nfs/dbraw/zinc/30/71/97/201307197.db2.gz ZGXGNTICHPYMLK-INIZCTEOSA-N 2 0 348.487 2.720 20 30 EFEDRP C=CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000276462726 201294557 /nfs/dbraw/zinc/29/45/57/201294557.db2.gz QSULORYWHVJJOD-UHFFFAOYSA-N 2 0 333.501 2.682 20 30 EFEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277283 240093303 /nfs/dbraw/zinc/09/33/03/240093303.db2.gz DAAGJEBNWNBPPJ-FFZOFVMBSA-N 2 0 327.472 2.815 20 30 EFEDRP CC[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261863274 240330073 /nfs/dbraw/zinc/33/00/73/240330073.db2.gz ZPCAMCWVAPMDMJ-SMDDNHRTSA-N 2 0 340.924 2.939 20 30 EFEDRP CC[NH+]=C(NCc1cc(C)c(O)c(C)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261984904 240334491 /nfs/dbraw/zinc/33/44/91/240334491.db2.gz PUGODJCCSRWHHD-CRAIPNDOSA-N 2 0 344.503 2.547 20 30 EFEDRP CC(C)(CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000262314320 240347366 /nfs/dbraw/zinc/34/73/66/240347366.db2.gz AYWOKJCKDREUSY-INIZCTEOSA-N 2 0 330.476 2.537 20 30 EFEDRP C[NH+]=C(NCc1cccn1C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262781799 240370886 /nfs/dbraw/zinc/37/08/86/240370886.db2.gz LGFGGXLESUJISJ-FUHWJXTLSA-N 2 0 339.487 2.526 20 30 EFEDRP CC(C)[C@@]1(C)C[C@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263137067 240379712 /nfs/dbraw/zinc/37/97/12/240379712.db2.gz NTSCWPLKRBCWMQ-UYAOXDASSA-N 2 0 328.504 2.990 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358161393 242115258 /nfs/dbraw/zinc/11/52/58/242115258.db2.gz XKWIXNVRQXFCAE-SJORKVTESA-N 2 0 336.524 2.589 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521148 242123982 /nfs/dbraw/zinc/12/39/82/242123982.db2.gz XDVCKKDSAWMUGW-INIZCTEOSA-N 2 0 347.528 2.727 20 30 EFEDRP C=CC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000359211772 242145677 /nfs/dbraw/zinc/14/56/77/242145677.db2.gz MJNFPGLRPOGPLO-MRXNPFEDSA-N 2 0 340.475 2.601 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361763700 242231927 /nfs/dbraw/zinc/23/19/27/242231927.db2.gz JFIFPOSFNORDEE-AEFFLSMTSA-N 2 0 336.524 2.541 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361763701 242232012 /nfs/dbraw/zinc/23/20/12/242232012.db2.gz JFIFPOSFNORDEE-FUHWJXTLSA-N 2 0 336.524 2.541 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361763702 242232136 /nfs/dbraw/zinc/23/21/36/242232136.db2.gz JFIFPOSFNORDEE-SJLPKXTDSA-N 2 0 336.524 2.541 20 30 EFEDRP N#CCCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367143603 242375504 /nfs/dbraw/zinc/37/55/04/242375504.db2.gz KAVCCESEYXTQPO-HXUWFJFHSA-N 2 0 326.488 2.572 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000069451246 203001522 /nfs/dbraw/zinc/00/15/22/203001522.db2.gz LAENBUABNKSUGE-CALCHBBNSA-N 2 0 327.472 2.879 20 30 EFEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CC[NH3+])cc1OC ZINC000414879294 244384354 /nfs/dbraw/zinc/38/43/54/244384354.db2.gz IJZIBKMUVKEAIA-NSHDSACASA-N 2 0 343.265 2.849 20 30 EFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442778112 250116088 /nfs/dbraw/zinc/11/60/88/250116088.db2.gz JYFDFRLGGBUBFA-RTBURBONSA-N 2 0 326.488 2.871 20 30 EFEDRP N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000442813034 250124026 /nfs/dbraw/zinc/12/40/26/250124026.db2.gz AUJVQOLMMQWELS-RBUKOAKNSA-N 2 0 327.472 2.986 20 30 EFEDRP N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000442813033 250124681 /nfs/dbraw/zinc/12/46/81/250124681.db2.gz AUJVQOLMMQWELS-OALUTQOASA-N 2 0 327.472 2.986 20 30 EFEDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1(C)C ZINC000442878658 250134798 /nfs/dbraw/zinc/13/47/98/250134798.db2.gz UHYXTICZLOMIKH-HXUWFJFHSA-N 2 0 340.515 2.941 20 30 EFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896885 250138613 /nfs/dbraw/zinc/13/86/13/250138613.db2.gz LQCHKXDHUROJKD-MBOZVWFJSA-N 2 0 326.488 2.577 20 30 EFEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601443 250211616 /nfs/dbraw/zinc/21/16/16/250211616.db2.gz JNPMVAIVNDVIRY-UHFFFAOYSA-N 2 0 333.520 2.775 20 30 EFEDRP Cc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000443976076 250243025 /nfs/dbraw/zinc/24/30/25/250243025.db2.gz CQPUHKULDODVEQ-UHFFFAOYSA-N 2 0 348.494 2.774 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449849575 251176884 /nfs/dbraw/zinc/17/68/84/251176884.db2.gz NWNUZCXMTUADMT-LJQANCHMSA-N 2 0 333.520 2.940 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360037 285250462 /nfs/dbraw/zinc/25/04/62/285250462.db2.gz YKOFENPWCLRTIZ-GOSISDBHSA-N 2 0 332.467 2.545 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000268969405 255506246 /nfs/dbraw/zinc/50/62/46/255506246.db2.gz MMJPKGUHHHBBKB-NHCUHLMSSA-N 2 0 342.483 2.556 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343557443 145237785 /nfs/dbraw/zinc/23/77/85/145237785.db2.gz VRXSUDUHFTWPRE-YLJYHZDGSA-N 2 0 329.488 2.827 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)c(F)c1 ZINC000344124820 145373748 /nfs/dbraw/zinc/37/37/48/145373748.db2.gz HLIFZFCAIREMKY-UHFFFAOYSA-N 2 0 332.467 2.547 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1cccc(C#N)c1 ZINC000344160137 145381912 /nfs/dbraw/zinc/38/19/12/145381912.db2.gz DOKAARNTCPZMNY-GOSISDBHSA-N 2 0 328.504 2.969 20 30 EFEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000369004039 150255672 /nfs/dbraw/zinc/25/56/72/150255672.db2.gz WALFZLBSTTWKDF-UHFFFAOYSA-N 2 0 344.478 2.547 20 30 EFEDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172975 151126497 /nfs/dbraw/zinc/12/64/97/151126497.db2.gz LSAUEMCOFLZPST-UYAOXDASSA-N 2 0 326.488 2.767 20 30 EFEDRP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1C#N ZINC000374204865 151300576 /nfs/dbraw/zinc/30/05/76/151300576.db2.gz LMLYOZGSUNDPLD-UHFFFAOYSA-N 2 0 343.471 2.501 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000264092871 286323484 /nfs/dbraw/zinc/32/34/84/286323484.db2.gz LNXQZPHVQZTUJP-HNNXBMFYSA-N 2 0 348.491 2.943 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138764 287276497 /nfs/dbraw/zinc/27/64/97/287276497.db2.gz UVHDVZLVZLPXIN-APWZRJJASA-N 2 0 342.487 2.698 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423485882 270028174 /nfs/dbraw/zinc/02/81/74/270028174.db2.gz RZSIJLDLSMSLCG-LJQANCHMSA-N 2 0 326.488 2.644 20 30 EFEDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1 ZINC000271962096 266107480 /nfs/dbraw/zinc/10/74/80/266107480.db2.gz UOFSLBZGVAGEPE-BEFAXECRSA-N 2 0 332.467 2.620 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211305 266151571 /nfs/dbraw/zinc/15/15/71/266151571.db2.gz WAJFNMSCJLJKDU-CRAIPNDOSA-N 2 0 328.460 2.691 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000272760492 266374866 /nfs/dbraw/zinc/37/48/66/266374866.db2.gz PHNAPRZIVQIBQQ-IBGZPJMESA-N 2 0 339.414 2.554 20 30 EFEDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039917 267104309 /nfs/dbraw/zinc/10/43/09/267104309.db2.gz BRRIJPGHCKLHKY-INIZCTEOSA-N 2 0 348.878 2.956 20 30 EFEDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271942693 267185133 /nfs/dbraw/zinc/18/51/33/267185133.db2.gz MMQSUFLFFFSGDJ-AWEZNQCLSA-N 2 0 342.418 2.884 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852924 268065885 /nfs/dbraw/zinc/06/58/85/268065885.db2.gz IYDHKADTXODADK-LEWJYISDSA-N 2 0 338.499 2.739 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000285895468 268107636 /nfs/dbraw/zinc/10/76/36/268107636.db2.gz CKGXZFFAAYZZCO-UHFFFAOYSA-N 2 0 338.499 2.991 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000287570090 268107750 /nfs/dbraw/zinc/10/77/50/268107750.db2.gz QOKLPGAMRJBMDW-UHFFFAOYSA-N 2 0 338.499 2.991 20 30 EFEDRP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374156345 279236952 /nfs/dbraw/zinc/23/69/52/279236952.db2.gz CPIBBLLFJDWNQW-MRXNPFEDSA-N 2 0 340.471 2.693 20 30 EFEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1 ZINC000555553114 318361103 /nfs/dbraw/zinc/36/11/03/318361103.db2.gz BHOFKVZAEPQQKP-UHFFFAOYSA-N 2 0 348.454 2.733 20 30 EFEDRP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCCn1ccnc1 ZINC000124390455 473240291 /nfs/dbraw/zinc/24/02/91/473240291.db2.gz DTGYDKHEGWPWLP-ZDUSSCGKSA-N 2 0 345.834 2.757 20 30 EFEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000083032077 473316491 /nfs/dbraw/zinc/31/64/91/473316491.db2.gz VMNVLKYPFCNVLY-GOSISDBHSA-N 2 0 338.455 2.676 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000057169529 472389619 /nfs/dbraw/zinc/38/96/19/472389619.db2.gz CDEYRIDSAPVOCF-UHFFFAOYSA-N 2 0 327.472 2.812 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116430434 472407872 /nfs/dbraw/zinc/40/78/72/472407872.db2.gz ZHWLEUVIDMHBBV-KRWDZBQOSA-N 2 0 338.540 2.693 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000154476500 472436521 /nfs/dbraw/zinc/43/65/21/472436521.db2.gz STPWYIRFUQYRGH-IBGZPJMESA-N 2 0 343.515 2.767 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000128673967 472483027 /nfs/dbraw/zinc/48/30/27/472483027.db2.gz AVBOKKUXAZGZTG-UHFFFAOYSA-N 2 0 339.483 2.875 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000104181832 472659191 /nfs/dbraw/zinc/65/91/91/472659191.db2.gz ZQPMGZHPAXUHKA-MRXNPFEDSA-N 2 0 332.492 2.502 20 30 EFEDRP CCCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000104174964 472659508 /nfs/dbraw/zinc/65/95/08/472659508.db2.gz QGNLNYJYAYMNLR-SFHVURJKSA-N 2 0 332.492 2.502 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000104156670 472659632 /nfs/dbraw/zinc/65/96/32/472659632.db2.gz NALULBJSDBWCAO-AWEZNQCLSA-N 2 0 334.464 2.695 20 30 EFEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)Nc1ccccc1 ZINC000105778625 472773792 /nfs/dbraw/zinc/77/37/92/472773792.db2.gz DOQTWAHPWDEVBX-UHFFFAOYSA-N 2 0 338.455 2.570 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000079304537 472846567 /nfs/dbraw/zinc/84/65/67/472846567.db2.gz KLHQEIWCXPLTTA-KURKYZTESA-N 2 0 343.515 2.945 20 30 EFEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000092587515 472941741 /nfs/dbraw/zinc/94/17/41/472941741.db2.gz IUORRFANMJMRSL-GJZGRUSLSA-N 2 0 333.501 2.941 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000050025023 472973598 /nfs/dbraw/zinc/97/35/98/472973598.db2.gz AXODOLNNDQNWNJ-FQEVSTJZSA-N 2 0 341.499 2.531 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000050025025 472973920 /nfs/dbraw/zinc/97/39/20/472973920.db2.gz AXODOLNNDQNWNJ-HXUWFJFHSA-N 2 0 341.499 2.531 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000050031526 472974875 /nfs/dbraw/zinc/97/48/75/472974875.db2.gz PNGOLWMALNBEFW-SFHVURJKSA-N 2 0 347.528 2.592 20 30 EFEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123108188 473097545 /nfs/dbraw/zinc/09/75/45/473097545.db2.gz YQORGYVOCNLICM-KRWDZBQOSA-N 2 0 348.535 2.771 20 30 EFEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000109787743 473121717 /nfs/dbraw/zinc/12/17/17/473121717.db2.gz LPPOOFVYZUQBHA-UHFFFAOYSA-N 2 0 334.489 2.755 20 30 EFEDRP C=C(C)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156077 473155129 /nfs/dbraw/zinc/15/51/29/473155129.db2.gz UXRBHGWHHCUBLO-UHFFFAOYSA-N 2 0 329.488 2.523 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000185400718 473416074 /nfs/dbraw/zinc/41/60/74/473416074.db2.gz CARDFRAUYJKCKO-APWZRJJASA-N 2 0 329.488 2.828 20 30 EFEDRP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697038 473491000 /nfs/dbraw/zinc/49/10/00/473491000.db2.gz PHYRUFBBZAGJCJ-CVAIRZPRSA-N 2 0 327.472 2.834 20 30 EFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185775363 473511000 /nfs/dbraw/zinc/51/10/00/473511000.db2.gz XYHBEJKVFGQKDL-RTWAWAEBSA-N 2 0 340.515 2.866 20 30 EFEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCCC1)Nc1ccccn1 ZINC000178576072 473533200 /nfs/dbraw/zinc/53/32/00/473533200.db2.gz FDSODUWTDJRMEN-UHFFFAOYSA-N 2 0 333.505 2.560 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000186056039 473582022 /nfs/dbraw/zinc/58/20/22/473582022.db2.gz DRQKNEGKWLQMCW-QGZVFWFLSA-N 2 0 329.488 2.957 20 30 EFEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603034 /nfs/dbraw/zinc/60/30/34/473603034.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 2 0 337.552 2.754 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681241 473732297 /nfs/dbraw/zinc/73/22/97/473732297.db2.gz LRJLLXUQDPAKLZ-APWZRJJASA-N 2 0 344.503 2.627 20 30 EFEDRP COc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000281812569 473846534 /nfs/dbraw/zinc/84/65/34/473846534.db2.gz WDMDYQVLIACQJJ-HZPDHXFCSA-N 2 0 331.460 2.546 20 30 EFEDRP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)C1=O ZINC000281936330 473888858 /nfs/dbraw/zinc/88/88/58/473888858.db2.gz IMYBCXOYHSLMKJ-VQIMIIECSA-N 2 0 338.455 2.596 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000264080803 473947401 /nfs/dbraw/zinc/94/74/01/473947401.db2.gz HCYXLLPEXUSNBQ-AWEZNQCLSA-N 2 0 334.464 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000264086210 473948794 /nfs/dbraw/zinc/94/87/94/473948794.db2.gz JIGREJNCGAPOCJ-OTWHNJEPSA-N 2 0 344.503 2.543 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000264092725 473949026 /nfs/dbraw/zinc/94/90/26/473949026.db2.gz LIWFJLXWVDLHLC-CQSZACIVSA-N 2 0 334.464 2.552 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCCCCCC[NH+](C)C)cc1OC ZINC000264092929 473949383 /nfs/dbraw/zinc/94/93/83/473949383.db2.gz LRESZVJQVQJITD-UHFFFAOYSA-N 2 0 336.480 2.943 20 30 EFEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1 ZINC000264320939 473961328 /nfs/dbraw/zinc/96/13/28/473961328.db2.gz XJXLXUAGXSYJFI-UHFFFAOYSA-N 2 0 326.444 2.944 20 30 EFEDRP N#Cc1cccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246924532 474005169 /nfs/dbraw/zinc/00/51/69/474005169.db2.gz SRQVQBDSIVHEMS-PXNSSMCTSA-N 2 0 325.456 2.886 20 30 EFEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181691060 474056245 /nfs/dbraw/zinc/05/62/45/474056245.db2.gz SSJHIWWXAQPEBP-ZWKOTPCHSA-N 2 0 344.503 2.513 20 30 EFEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181691029 474056750 /nfs/dbraw/zinc/05/67/50/474056750.db2.gz SSJHIWWXAQPEBP-ROUUACIJSA-N 2 0 344.503 2.513 20 30 EFEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271869 474138288 /nfs/dbraw/zinc/13/82/88/474138288.db2.gz HWNWJUPYNNDOMH-KKSFZXQISA-N 2 0 335.451 2.976 20 30 EFEDRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271333853 474496225 /nfs/dbraw/zinc/49/62/25/474496225.db2.gz VYOHKHGPTMLTTP-LJQANCHMSA-N 2 0 340.471 2.693 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000249460233 474575504 /nfs/dbraw/zinc/57/55/04/474575504.db2.gz QQIWTSMDVRGRAY-PKOBYXMFSA-N 2 0 345.487 2.664 20 30 EFEDRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000271872518 474596736 /nfs/dbraw/zinc/59/67/36/474596736.db2.gz NDRGLNBYUPIJJM-GOSISDBHSA-N 2 0 349.482 2.816 20 30 EFEDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478475 474655955 /nfs/dbraw/zinc/65/59/55/474655955.db2.gz KJNHDUTWLHBTLS-DLBZAZTESA-N 2 0 331.460 2.740 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000267411772 474668419 /nfs/dbraw/zinc/66/84/19/474668419.db2.gz IJHWBNZVBXNIQI-UHFFFAOYSA-N 2 0 330.407 2.823 20 30 EFEDRP Cc1ccc(NC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000267456579 474669800 /nfs/dbraw/zinc/66/98/00/474669800.db2.gz SXMOKKUOYALSDT-UHFFFAOYSA-N 2 0 330.476 2.675 20 30 EFEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCC(O)CC1)Nc1ccccc1 ZINC000267452559 474670344 /nfs/dbraw/zinc/67/03/44/474670344.db2.gz RUJKDRIWALOBTH-UHFFFAOYSA-N 2 0 338.455 2.570 20 30 EFEDRP C[N@@H+]1CC[C@]2(CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857807 474678576 /nfs/dbraw/zinc/67/85/76/474678576.db2.gz UZBBNULVKJSODI-NRFANRHFSA-N 2 0 349.482 2.991 20 30 EFEDRP C=CCN1CC[C@H]([NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000337162852 474750429 /nfs/dbraw/zinc/75/04/29/474750429.db2.gz WDRVHSBYGDMERE-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337196572 474774809 /nfs/dbraw/zinc/77/48/09/474774809.db2.gz WMNZFKRJMLKGCK-SFHVURJKSA-N 2 0 337.508 2.520 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000337460267 475037985 /nfs/dbraw/zinc/03/79/85/475037985.db2.gz ZMMBBRTUSRWPLX-GBESFXJTSA-N 2 0 348.535 2.611 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000294542097 475071910 /nfs/dbraw/zinc/07/19/10/475071910.db2.gz ARCQWOGUBZZJNT-IBGZPJMESA-N 2 0 341.499 2.519 20 30 EFEDRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2cncc2C1 ZINC000329932734 475166280 /nfs/dbraw/zinc/16/62/80/475166280.db2.gz PRMCZWKDMKGTGP-ROUUACIJSA-N 2 0 338.455 2.924 20 30 EFEDRP C[NH+](C)CC1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCC1 ZINC000262387506 475230104 /nfs/dbraw/zinc/23/01/04/475230104.db2.gz QHZPZLIZWJTKDN-INIZCTEOSA-N 2 0 330.476 2.537 20 30 EFEDRP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000346407310 475597149 /nfs/dbraw/zinc/59/71/49/475597149.db2.gz FJDOFQWCJJSQKB-KRWDZBQOSA-N 2 0 346.519 2.525 20 30 EFEDRP N#CCc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000342692542 475627965 /nfs/dbraw/zinc/62/79/65/475627965.db2.gz DQIGWKYTTGTZAJ-UHFFFAOYSA-N 2 0 327.472 2.687 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000346546333 475646332 /nfs/dbraw/zinc/64/63/32/475646332.db2.gz GXUPXJZKPNQZHD-PXNSSMCTSA-N 2 0 329.488 2.979 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000346546332 475646996 /nfs/dbraw/zinc/64/69/96/475646996.db2.gz GXUPXJZKPNQZHD-FXAWDEMLSA-N 2 0 329.488 2.979 20 30 EFEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000352902717 475665115 /nfs/dbraw/zinc/66/51/15/475665115.db2.gz QHJYRBCITSBJOP-INIZCTEOSA-N 2 0 349.548 2.536 20 30 EFEDRP CC(C)(CCC#N)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348906755 475882360 /nfs/dbraw/zinc/88/23/60/475882360.db2.gz VOHUMYMUOXDTBG-UHFFFAOYSA-N 2 0 348.535 2.630 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413866 475949444 /nfs/dbraw/zinc/94/94/44/475949444.db2.gz QXLWJBSVQZKEST-HXUWFJFHSA-N 2 0 326.488 2.553 20 30 EFEDRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353666619 476170753 /nfs/dbraw/zinc/17/07/53/476170753.db2.gz RBEUYVFIZJQXOD-IBGZPJMESA-N 2 0 336.439 2.671 20 30 EFEDRP N#CC1(CCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000369194499 476397093 /nfs/dbraw/zinc/39/70/93/476397093.db2.gz PJXMPMKKBOGIJI-UHFFFAOYSA-N 2 0 349.519 2.521 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000363036529 476536898 /nfs/dbraw/zinc/53/68/98/476536898.db2.gz KIMZALDFGZXWHJ-UHFFFAOYSA-N 2 0 331.435 2.632 20 30 EFEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896884 476704355 /nfs/dbraw/zinc/70/43/55/476704355.db2.gz LQCHKXDHUROJKD-HLIPFELVSA-N 2 0 326.488 2.577 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999541 476886464 /nfs/dbraw/zinc/88/64/64/476886464.db2.gz SPKRJHUTJRFDSK-AEFFLSMTSA-N 2 0 343.471 2.942 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415122268 476908544 /nfs/dbraw/zinc/90/85/44/476908544.db2.gz JRXARCUTZJBMTE-QUCCMNQESA-N 2 0 330.472 2.970 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000447575102 477015142 /nfs/dbraw/zinc/01/51/42/477015142.db2.gz QJOTWCGHXNDXAR-UFYCRDLUSA-N 2 0 327.472 2.977 20 30 EFEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900643 477070746 /nfs/dbraw/zinc/07/07/46/477070746.db2.gz HLIXNAPPWOMIBQ-FXAWDEMLSA-N 2 0 326.488 2.720 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000371294706 477223418 /nfs/dbraw/zinc/22/34/18/477223418.db2.gz MQJDXRGQQSPFBS-RLLQIKCJSA-N 2 0 343.471 2.511 20 30 EFEDRP C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411474206 477248047 /nfs/dbraw/zinc/24/80/47/477248047.db2.gz QKLHVUZIZILNAU-IBGZPJMESA-N 2 0 329.488 2.884 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139353 477305515 /nfs/dbraw/zinc/30/55/15/477305515.db2.gz VDJBNPCBCDIDRQ-LPHOPBHVSA-N 2 0 342.487 2.556 20 30 EFEDRP C=CCN1CC[C@H](N(C)Cc2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000411673669 477322025 /nfs/dbraw/zinc/32/20/25/477322025.db2.gz ODAWKKKWCWJPQC-FQEVSTJZSA-N 2 0 341.499 2.891 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449849574 477574851 /nfs/dbraw/zinc/57/48/51/477574851.db2.gz NWNUZCXMTUADMT-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298139 477672800 /nfs/dbraw/zinc/67/28/00/477672800.db2.gz GVBWOMKEVCEHBL-IAGOWNOFSA-N 2 0 340.475 2.601 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340484 477710017 /nfs/dbraw/zinc/71/00/17/477710017.db2.gz PMZXWMWTQVKRGJ-YESZJQIVSA-N 2 0 347.528 2.583 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)c(C)c3)CC2)CC1 ZINC000420985240 477877506 /nfs/dbraw/zinc/87/75/06/477877506.db2.gz VWIBFKRSGYMWFI-UHFFFAOYSA-N 2 0 340.515 2.859 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)CC[NH+](CC)CC)CC1 ZINC000462001056 477891640 /nfs/dbraw/zinc/89/16/40/477891640.db2.gz RUOJWFURWXFGKO-UHFFFAOYSA-N 2 0 338.540 2.790 20 30 EFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000459726827 478061402 /nfs/dbraw/zinc/06/14/02/478061402.db2.gz BUGONIJDSGTMJT-IBGZPJMESA-N 2 0 340.515 2.844 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488838803 478190367 /nfs/dbraw/zinc/19/03/67/478190367.db2.gz DXMXQIUKFMQFGH-KRWDZBQOSA-N 2 0 348.535 2.543 20 30 EFEDRP Cc1cc(N2CCCC[C@H]2C)ccc1NC[C@@H](O)CN(C)CCC#N ZINC000581603696 478397785 /nfs/dbraw/zinc/39/77/85/478397785.db2.gz NOBRJPGJOUYOID-IEBWSBKVSA-N 2 0 344.503 2.992 20 30 EFEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000491450686 478551536 /nfs/dbraw/zinc/55/15/36/478551536.db2.gz BLLIKCSPZCCERJ-UHFFFAOYSA-N 2 0 341.499 2.680 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)cc3C)CC2)CC1 ZINC000591478033 478566141 /nfs/dbraw/zinc/56/61/41/478566141.db2.gz MKQBIXBDQOGXSI-UHFFFAOYSA-N 2 0 340.515 2.859 20 30 EFEDRP C=C(C)C[C@@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000582673484 478656939 /nfs/dbraw/zinc/65/69/39/478656939.db2.gz IPFXGBPJYJFHIR-QGZVFWFLSA-N 2 0 329.488 2.698 20 30 EFEDRP C#CC[N@@H+](C)CCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491777842 478673989 /nfs/dbraw/zinc/67/39/89/478673989.db2.gz IDLRRLNFGSHNQQ-LJQANCHMSA-N 2 0 327.516 2.627 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595545223 478848018 /nfs/dbraw/zinc/84/80/18/478848018.db2.gz FJCBOJKVLFWLAH-UHFFFAOYSA-N 2 0 340.515 2.593 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618392 478928500 /nfs/dbraw/zinc/92/85/00/478928500.db2.gz XKJNMYCFSLCLSK-FPOVZHCZSA-N 2 0 341.499 2.885 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618391 478928870 /nfs/dbraw/zinc/92/88/70/478928870.db2.gz XKJNMYCFSLCLSK-CTNGQTDRSA-N 2 0 341.499 2.885 20 30 EFEDRP CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)N1CCc2ccccc2C1 ZINC000598701914 478980009 /nfs/dbraw/zinc/98/00/09/478980009.db2.gz ZSYFKPIRZJKTEI-OALUTQOASA-N 2 0 329.488 2.714 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000598700760 478980193 /nfs/dbraw/zinc/98/01/93/478980193.db2.gz QBCBWRZMOWBZHZ-LJQANCHMSA-N 2 0 329.488 2.789 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000565358196 478987408 /nfs/dbraw/zinc/98/74/08/478987408.db2.gz MLDXGHYUOASXSC-HKUYNNGSSA-N 2 0 345.487 2.542 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000598718495 478989582 /nfs/dbraw/zinc/98/95/82/478989582.db2.gz BRLNWDZUTYKDNP-MRXNPFEDSA-N 2 0 335.517 2.850 20 30 EFEDRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994309 479119206 /nfs/dbraw/zinc/11/92/06/479119206.db2.gz JLLXRVKOZJAQGF-HXUWFJFHSA-N 2 0 340.515 2.844 20 30 EFEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110701 479254178 /nfs/dbraw/zinc/25/41/78/479254178.db2.gz PFVDTQGSWHBPMR-HKUYNNGSSA-N 2 0 336.524 2.627 20 30 EFEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320209 479294188 /nfs/dbraw/zinc/29/41/88/479294188.db2.gz AQXLJKLQHPUNTK-JXFKEZNVSA-N 2 0 326.488 2.500 20 30 EFEDRP CC[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321879 479295368 /nfs/dbraw/zinc/29/53/68/479295368.db2.gz JCBBLJIQDOCVTN-UXHICEINSA-N 2 0 326.488 2.643 20 30 EFEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000599658536 479375520 /nfs/dbraw/zinc/37/55/20/479375520.db2.gz AVEYRQIJIUKDIY-MRXNPFEDSA-N 2 0 342.487 2.521 20 30 EFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000602516517 479377282 /nfs/dbraw/zinc/37/72/82/479377282.db2.gz MQDGBJVKOQBJJB-QGZVFWFLSA-N 2 0 345.487 2.816 20 30 EFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000602583560 479409602 /nfs/dbraw/zinc/40/96/02/479409602.db2.gz ZEFIDGCPWMQNMG-KRWDZBQOSA-N 2 0 342.487 2.987 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592008 479413305 /nfs/dbraw/zinc/41/33/05/479413305.db2.gz GHVJVJZOZSNXFI-RTBURBONSA-N 2 0 342.487 2.569 20 30 EFEDRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593702289 479428341 /nfs/dbraw/zinc/42/83/41/479428341.db2.gz LBBIIQJUZIPSAA-UHFFFAOYSA-N 2 0 340.515 2.985 20 30 EFEDRP CN1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccs2)CC1 ZINC000618561371 479493052 /nfs/dbraw/zinc/49/30/52/479493052.db2.gz BDOGWPDGCQXOCU-GVDBMIGSSA-N 2 0 332.517 2.709 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)C(C)C ZINC000662380753 481771836 /nfs/dbraw/zinc/77/18/36/481771836.db2.gz PSUJMXMPYSWDRI-IBGZPJMESA-N 2 0 327.472 2.718 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662678525 481930701 /nfs/dbraw/zinc/93/07/01/481930701.db2.gz GTQKZVBDFHHTGA-FUHWJXTLSA-N 2 0 335.517 2.946 20 30 EFEDRP C=CC[C@@]1(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662678524 481930986 /nfs/dbraw/zinc/93/09/86/481930986.db2.gz GTQKZVBDFHHTGA-AEFFLSMTSA-N 2 0 335.517 2.946 20 30 EFEDRP C=CC[N@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000661242509 482387849 /nfs/dbraw/zinc/38/78/49/482387849.db2.gz BLYYGOYZHJXGTG-IAGOWNOFSA-N 2 0 331.460 2.537 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000171411430 526414630 /nfs/dbraw/zinc/41/46/30/526414630.db2.gz JTVRFEKNGCXCAU-UHFFFAOYSA-N 2 0 340.471 2.857 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(NCC[NH+]3CCCCCC3)CC2)cc1 ZINC000181439653 526608925 /nfs/dbraw/zinc/60/89/25/526608925.db2.gz MBTBXHYJFVQQIV-UHFFFAOYSA-N 2 0 340.515 2.988 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182979967 526703881 /nfs/dbraw/zinc/70/38/81/526703881.db2.gz YDJUWISGZSFYRS-UHFFFAOYSA-N 2 0 327.472 2.883 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040935 527648108 /nfs/dbraw/zinc/64/81/08/527648108.db2.gz VJMANZKCGBTOBI-RBUKOAKNSA-N 2 0 348.535 2.565 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040946 527648568 /nfs/dbraw/zinc/64/85/68/527648568.db2.gz VJMANZKCGBTOBI-RTBURBONSA-N 2 0 348.535 2.565 20 30 EFEDRP CC[NH+](CC)CCOc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170912507 528154116 /nfs/dbraw/zinc/15/41/16/528154116.db2.gz FEWBTSSSQQRGQU-UHFFFAOYSA-N 2 0 341.459 2.729 20 30 EFEDRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181920025 529000610 /nfs/dbraw/zinc/00/06/10/529000610.db2.gz FUPSHLVSYBMGOT-UHFFFAOYSA-N 2 0 340.515 2.985 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160600294 529092114 /nfs/dbraw/zinc/09/21/14/529092114.db2.gz XRHADSODGFOABI-NSHDSACASA-N 2 0 330.354 2.796 20 30 EFEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425529193 535199540 /nfs/dbraw/zinc/19/95/40/535199540.db2.gz AWYFRNFVWGOZDG-GOSISDBHSA-N 2 0 328.504 2.967 20 30 EFEDRP CC[NH+]=C(NCC1CCSCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262796524 535260725 /nfs/dbraw/zinc/26/07/25/535260725.db2.gz PNOUSNZXYGUIRM-KRWDZBQOSA-N 2 0 338.565 2.513 20 30 EFEDRP CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262644601 535338036 /nfs/dbraw/zinc/33/80/36/535338036.db2.gz ICKIVBDXJFTSBZ-QGZVFWFLSA-N 2 0 332.492 2.736 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000264094850 536655590 /nfs/dbraw/zinc/65/55/90/536655590.db2.gz MDWXFMLBMURHNV-UHFFFAOYSA-N 2 0 342.443 2.562 20 30 EFEDRP C=C(C)C[N@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001752211344 1249360046 /nfs/dbraw/zinc/36/00/46/1249360046.db2.gz ARUVDRNVRCCOLJ-SFHVURJKSA-N 2 0 327.488 2.603 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001754962849 1249377240 /nfs/dbraw/zinc/37/72/40/1249377240.db2.gz QNFUFDNWCKKBSV-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001752815992 1251471249 /nfs/dbraw/zinc/47/12/49/1251471249.db2.gz VQOXXSOIFXFWEH-IBGZPJMESA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493465 1252059288 /nfs/dbraw/zinc/05/92/88/1252059288.db2.gz XCJFWZINJAKDAP-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683662 1252160546 /nfs/dbraw/zinc/16/05/46/1252160546.db2.gz CGCMNPMWUWONFP-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089684488 1252167837 /nfs/dbraw/zinc/16/78/37/1252167837.db2.gz QCGCFVCERVSLIC-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)CN(C)CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001484769715 1252934516 /nfs/dbraw/zinc/93/45/16/1252934516.db2.gz ZHXAQEDKMQBERD-UHFFFAOYSA-N 2 0 337.895 2.895 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574993 1253153991 /nfs/dbraw/zinc/15/39/91/1253153991.db2.gz NNIKBVLCWSLNHR-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945332489 1253180568 /nfs/dbraw/zinc/18/05/68/1253180568.db2.gz COXITTHGNARKTM-AEFFLSMTSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000995921644 1254842986 /nfs/dbraw/zinc/84/29/86/1254842986.db2.gz XJPSSHIPNLSSLV-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC000995987445 1254917762 /nfs/dbraw/zinc/91/77/62/1254917762.db2.gz RMRDGSWEOAIBGZ-INIZCTEOSA-N 2 0 346.862 2.835 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000996475328 1255342770 /nfs/dbraw/zinc/34/27/70/1255342770.db2.gz HVZDZQXZEMSHCC-MRXNPFEDSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996524198 1255412200 /nfs/dbraw/zinc/41/22/00/1255412200.db2.gz NXSSBPFLBHBXCP-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996674773 1255708000 /nfs/dbraw/zinc/70/80/00/1255708000.db2.gz WPFXDPKBJCCBSJ-KRWDZBQOSA-N 2 0 349.906 2.941 20 30 EFEDRP C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098819620 1255723095 /nfs/dbraw/zinc/72/30/95/1255723095.db2.gz BSZOHPWOEUJPPW-AZUAARDMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996676448 1255725366 /nfs/dbraw/zinc/72/53/66/1255725366.db2.gz NGSQGEYPMVZPIW-JKSUJKDBSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424630 1255784124 /nfs/dbraw/zinc/78/41/24/1255784124.db2.gz YTQIRDCVSJKQAA-YQVWRLOYSA-N 2 0 339.499 2.603 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485216 1255952347 /nfs/dbraw/zinc/95/23/47/1255952347.db2.gz PIOHGNJFNLAXBA-SFHLNBCPSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530174 1256049650 /nfs/dbraw/zinc/04/96/50/1256049650.db2.gz KIUPGWYENJWQEP-UYAOXDASSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107547010 1256106848 /nfs/dbraw/zinc/10/68/48/1256106848.db2.gz XSKOALGAEZUACF-NLWGTHIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547240 1256108503 /nfs/dbraw/zinc/10/85/03/1256108503.db2.gz GQHQUKHNPMQXSA-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566567 1256154072 /nfs/dbraw/zinc/15/40/72/1256154072.db2.gz AGYODYDQVDFFAC-SFHLNBCPSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582091 1256178183 /nfs/dbraw/zinc/17/81/83/1256178183.db2.gz WICQOSFMUOTQRE-SVFBPWRDSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+](CCC)CCC)CCC[C@@H]12 ZINC001107606579 1256267211 /nfs/dbraw/zinc/26/72/11/1256267211.db2.gz DCSBQLVIVCTGFI-TZIWHRDSSA-N 2 0 347.547 2.883 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635634 1256333589 /nfs/dbraw/zinc/33/35/89/1256333589.db2.gz VDYBXOTVHZGOEV-TZIWHRDSSA-N 2 0 345.531 2.637 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644545 1256343951 /nfs/dbraw/zinc/34/39/51/1256343951.db2.gz AAUFXXLTKCSUJI-UYAOXDASSA-N 2 0 333.520 2.799 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646650 1256371171 /nfs/dbraw/zinc/37/11/71/1256371171.db2.gz ODVBSQQJAZHWCW-WSTZPKSXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997083614 1256799930 /nfs/dbraw/zinc/79/99/30/1256799930.db2.gz AZOVYIPKXFDKRC-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835116 1256819910 /nfs/dbraw/zinc/81/99/10/1256819910.db2.gz KFQNNFNCUQPYGT-NSHGMRRFSA-N 2 0 333.520 2.796 20 30 EFEDRP N#Cc1ccc(Br)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000921527384 1257015942 /nfs/dbraw/zinc/01/59/42/1257015942.db2.gz LYOGUYCMDONJHJ-ZDUSSCGKSA-N 2 0 334.261 2.895 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406285 1257125082 /nfs/dbraw/zinc/12/50/82/1257125082.db2.gz WSLDRCOMBLJWMQ-IHPCNDPISA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997278576 1257323850 /nfs/dbraw/zinc/32/38/50/1257323850.db2.gz GIOWGTBZXTYTEP-MJGOQNOKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997367720 1257455475 /nfs/dbraw/zinc/45/54/75/1257455475.db2.gz MASYRSFCPGWBSG-UHFFFAOYSA-N 2 0 335.879 2.695 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997435000 1257579913 /nfs/dbraw/zinc/57/99/13/1257579913.db2.gz SNRHJHZLIQQFPT-MRXNPFEDSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000997440297 1257597703 /nfs/dbraw/zinc/59/77/03/1257597703.db2.gz WIAVMQHGDFTABO-MRXNPFEDSA-N 2 0 345.487 2.585 20 30 EFEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000997610196 1258107608 /nfs/dbraw/zinc/10/76/08/1258107608.db2.gz MTOYRVUVZCVCLO-HNNXBMFYSA-N 2 0 347.528 2.663 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653486 1258171121 /nfs/dbraw/zinc/17/11/21/1258171121.db2.gz OFSKLZIMQUJQSP-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653197 1258175858 /nfs/dbraw/zinc/17/58/58/1258175858.db2.gz IKGIELOJGNVCNG-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997660365 1258183578 /nfs/dbraw/zinc/18/35/78/1258183578.db2.gz UWJQSJADIGAVMO-HNNXBMFYSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997676484 1258220945 /nfs/dbraw/zinc/22/09/45/1258220945.db2.gz KIHWVBWYIVAYGT-HNNXBMFYSA-N 2 0 326.444 2.741 20 30 EFEDRP CC#CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997871410 1258555584 /nfs/dbraw/zinc/55/55/84/1258555584.db2.gz KOKIHTKHLOHPTK-KRWDZBQOSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997947159 1258820001 /nfs/dbraw/zinc/82/00/01/1258820001.db2.gz AIGNIMDCHZTZER-CVEARBPZSA-N 2 0 327.900 2.536 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005626 1258934578 /nfs/dbraw/zinc/93/45/78/1258934578.db2.gz QTCSENBYWXAFMT-RTBURBONSA-N 2 0 333.520 2.586 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009309 1258945210 /nfs/dbraw/zinc/94/52/10/1258945210.db2.gz WAQGGMUSZCGHCS-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020317 1258971850 /nfs/dbraw/zinc/97/18/50/1258971850.db2.gz CIWXFKILEWTSLI-UXHICEINSA-N 2 0 347.547 2.691 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998115970 1259130851 /nfs/dbraw/zinc/13/08/51/1259130851.db2.gz MFVFNORCPIAVAR-SJORKVTESA-N 2 0 342.487 2.556 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000998125827 1259137526 /nfs/dbraw/zinc/13/75/26/1259137526.db2.gz LQIBRRQTPFJCES-KZNAEPCWSA-N 2 0 344.503 2.803 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCCC)CC2)CC1 ZINC000998199739 1259220556 /nfs/dbraw/zinc/22/05/56/1259220556.db2.gz RLMUFLXDBVJOEQ-FQEVSTJZSA-N 2 0 347.547 2.835 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CCC=C)CC2)CC1 ZINC000998200091 1259231131 /nfs/dbraw/zinc/23/11/31/1259231131.db2.gz SMWYMIDNBWLRNA-HXUWFJFHSA-N 2 0 345.531 2.611 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540209 1260407682 /nfs/dbraw/zinc/40/76/82/1260407682.db2.gz LBLHYSBGGIDVKP-FPOVZHCZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001004241285 1266345529 /nfs/dbraw/zinc/34/55/29/1266345529.db2.gz IBWFTHWNTUUIAG-UHFFFAOYSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999506831 1260695217 /nfs/dbraw/zinc/69/52/17/1260695217.db2.gz SFVYYHURWNSANL-UYSNPLJNSA-N 2 0 327.900 2.581 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000999555044 1260732023 /nfs/dbraw/zinc/73/20/23/1260732023.db2.gz WXGMAEFWIRPSJU-UHFFFAOYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000999554986 1260732160 /nfs/dbraw/zinc/73/21/60/1260732160.db2.gz FWXMWXWKBOEHHX-HNNXBMFYSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031175 1266382720 /nfs/dbraw/zinc/38/27/20/1266382720.db2.gz TVYQRQAZMIRWLG-NRFANRHFSA-N 2 0 339.483 2.552 20 30 EFEDRP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000184101 1261179004 /nfs/dbraw/zinc/17/90/04/1261179004.db2.gz HCFKPDDZIZOEMG-RTBURBONSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000262431 1261343119 /nfs/dbraw/zinc/34/31/19/1261343119.db2.gz YUIBQFPPTAKIQB-FUHWJXTLSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901689 1261671862 /nfs/dbraw/zinc/67/18/62/1261671862.db2.gz BLFVDXZSVLBPGV-BGYRXZFFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006120955 1261812454 /nfs/dbraw/zinc/81/24/54/1261812454.db2.gz SRGWSXGIWFRPAT-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803586 1261846571 /nfs/dbraw/zinc/84/65/71/1261846571.db2.gz FVWNOZYTAOFRMU-FHWLQOOXSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626167 1262073389 /nfs/dbraw/zinc/07/33/89/1262073389.db2.gz LWQJOTHUDMVBLS-IAGOWNOFSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078687801 1262208383 /nfs/dbraw/zinc/20/83/83/1262208383.db2.gz FSYOQRVDDUZQPY-RTBURBONSA-N 2 0 341.499 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078687798 1262208517 /nfs/dbraw/zinc/20/85/17/1262208517.db2.gz FSYOQRVDDUZQPY-MOPGFXCFSA-N 2 0 341.499 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001078776436 1262314065 /nfs/dbraw/zinc/31/40/65/1262314065.db2.gz LIHIWMWMGCUNLO-OALUTQOASA-N 2 0 345.531 2.702 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078819307 1262362445 /nfs/dbraw/zinc/36/24/45/1262362445.db2.gz LSZFOEUROKZEGP-RBUKOAKNSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078819308 1262362729 /nfs/dbraw/zinc/36/27/29/1262362729.db2.gz LSZFOEUROKZEGP-RTBURBONSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001082943372 1263425468 /nfs/dbraw/zinc/42/54/68/1263425468.db2.gz GNLSBKLTVKGTMV-OIISXLGYSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406812 1263915334 /nfs/dbraw/zinc/91/53/34/1263915334.db2.gz ZNDJHLOYGLYSNS-BHIYHBOVSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405452 1263916163 /nfs/dbraw/zinc/91/61/63/1263916163.db2.gz NVGMIOMRUZWJDN-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406164 1263916393 /nfs/dbraw/zinc/91/63/93/1263916393.db2.gz HXOPEVZOBOXSSV-YZGWKJHDSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084767946 1264347639 /nfs/dbraw/zinc/34/76/39/1264347639.db2.gz PMMICBCPIIJHRA-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944356 1264715851 /nfs/dbraw/zinc/71/58/51/1264715851.db2.gz JJTDUFRRQFXVRA-ZACQAIPSSA-N 2 0 330.476 2.505 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944355 1264717344 /nfs/dbraw/zinc/71/73/44/1264717344.db2.gz JJTDUFRRQFXVRA-BBWFWOEESA-N 2 0 330.476 2.505 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001084953500 1264755469 /nfs/dbraw/zinc/75/54/69/1264755469.db2.gz QKIFWEHZBHEQRJ-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978201 1264807495 /nfs/dbraw/zinc/80/74/95/1264807495.db2.gz BSTWLYBCQNBOMS-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072644 1265076353 /nfs/dbraw/zinc/07/63/53/1265076353.db2.gz MFIZCMFQKHHSRM-AQNXPRMDSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101341 1265144680 /nfs/dbraw/zinc/14/46/80/1265144680.db2.gz FZOFMICBRAJJGN-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080886 1266445795 /nfs/dbraw/zinc/44/57/95/1266445795.db2.gz DYHWMYAWVJFVKG-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083102 1266451274 /nfs/dbraw/zinc/45/12/74/1266451274.db2.gz XKTQBSCLZJWDKO-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437029 1266980896 /nfs/dbraw/zinc/98/08/96/1266980896.db2.gz IPJYZZTWPLWNGS-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437073 1266993836 /nfs/dbraw/zinc/99/38/36/1266993836.db2.gz JCLGANLONUCIRC-UXHICEINSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001004439675 1267002668 /nfs/dbraw/zinc/00/26/68/1267002668.db2.gz VVGFDHCMRMNWEW-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171069347 1278296451 /nfs/dbraw/zinc/29/64/51/1278296451.db2.gz QFECVOBKTADJCO-DLBZAZTESA-N 2 0 329.504 2.897 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456319 1267082266 /nfs/dbraw/zinc/08/22/66/1267082266.db2.gz DLUMMOMSMFJEKK-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456778 1267084597 /nfs/dbraw/zinc/08/45/97/1267084597.db2.gz HYTJPQKFMRFVAJ-MOPGFXCFSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004456370 1267085551 /nfs/dbraw/zinc/08/55/51/1267085551.db2.gz FDMVDXGTIGGERJ-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457967 1267092422 /nfs/dbraw/zinc/09/24/22/1267092422.db2.gz MULUAOZGCMTARM-MOPGFXCFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085307282 1267107295 /nfs/dbraw/zinc/10/72/95/1267107295.db2.gz POURHHTXYCSELX-GUDVDZBRSA-N 2 0 333.520 2.987 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004472171 1267118583 /nfs/dbraw/zinc/11/85/83/1267118583.db2.gz DMLXAMSQOMPBPM-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004473171 1267119729 /nfs/dbraw/zinc/11/97/29/1267119729.db2.gz LDPCKNPSWLAJSY-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946616175 1267127896 /nfs/dbraw/zinc/12/78/96/1267127896.db2.gz XWLDNNOYVYLFFB-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476058 1267128298 /nfs/dbraw/zinc/12/82/98/1267128298.db2.gz BYVFFHVOFAJXNC-GOSISDBHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946614521 1267134459 /nfs/dbraw/zinc/13/44/59/1267134459.db2.gz ARRSMHLBVKAYQR-IYBDPMFKSA-N 2 0 347.528 2.780 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501184 1267186418 /nfs/dbraw/zinc/18/64/18/1267186418.db2.gz YIDFKTGPVXVARL-VQTJNVASSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004522488 1267213145 /nfs/dbraw/zinc/21/31/45/1267213145.db2.gz NWAOWGCVOFMRMB-IHPCNDPISA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623710 1267219260 /nfs/dbraw/zinc/21/92/60/1267219260.db2.gz NSXHKQDOVIOMGJ-HDICACEKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623979 1267221069 /nfs/dbraw/zinc/22/10/69/1267221069.db2.gz XALOQQUIQWXQPV-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004547026 1267268216 /nfs/dbraw/zinc/26/82/16/1267268216.db2.gz KOXWBAHRKYCJJL-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547591 1267270081 /nfs/dbraw/zinc/27/00/81/1267270081.db2.gz OVNDRFJWKXDXTK-IRXDYDNUSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547589 1267270835 /nfs/dbraw/zinc/27/08/35/1267270835.db2.gz OVNDRFJWKXDXTK-DLBZAZTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539358 1267279218 /nfs/dbraw/zinc/27/92/18/1267279218.db2.gz DLUBKQOHARFHFF-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001004572087 1267310008 /nfs/dbraw/zinc/31/00/08/1267310008.db2.gz ZCYVKATVNSXOPU-UXHICEINSA-N 2 0 345.531 2.586 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004618276 1267411696 /nfs/dbraw/zinc/41/16/96/1267411696.db2.gz CVPNJMHIWPHEDI-FQEVSTJZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004620849 1267416510 /nfs/dbraw/zinc/41/65/10/1267416510.db2.gz RLLIDYKSTHRAFH-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151605 1267451911 /nfs/dbraw/zinc/45/19/11/1267451911.db2.gz KHHHNVIVYBPUCG-HOTGVXAUSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946644406 1267468422 /nfs/dbraw/zinc/46/84/22/1267468422.db2.gz BICAKVJXCVLANM-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCN1CC2(CCC1=O)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273100825 1267675370 /nfs/dbraw/zinc/67/53/70/1267675370.db2.gz HEBKNCAMIBWXHI-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100829 1267675580 /nfs/dbraw/zinc/67/55/80/1267675580.db2.gz HFBVOVZPQCIVAZ-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001273101704 1267675771 /nfs/dbraw/zinc/67/57/71/1267675771.db2.gz ZRAOMSHKOCPDKP-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735818 1267862231 /nfs/dbraw/zinc/86/22/31/1267862231.db2.gz RLKNJYDMESCWON-LWYYNNOASA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685751 1268194288 /nfs/dbraw/zinc/19/42/88/1268194288.db2.gz AAMQTILEUKNDBR-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781751 1268502815 /nfs/dbraw/zinc/50/28/15/1268502815.db2.gz DMZLFFZHHBKTQJ-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001273127198 1268652655 /nfs/dbraw/zinc/65/26/55/1268652655.db2.gz ZKRVBPXXCPSUIP-TZIWHRDSSA-N 2 0 345.531 2.775 20 30 EFEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)CC1 ZINC001273127197 1268652770 /nfs/dbraw/zinc/65/27/70/1268652770.db2.gz ZKRVBPXXCPSUIP-CTNGQTDRSA-N 2 0 345.531 2.775 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946808310 1268774842 /nfs/dbraw/zinc/77/48/42/1268774842.db2.gz NTOTXZNWCGJKLB-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809030 1268790855 /nfs/dbraw/zinc/79/08/55/1268790855.db2.gz WTONITDZBBDXFO-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946809218 1268792042 /nfs/dbraw/zinc/79/20/42/1268792042.db2.gz ZFXANSCNFQTXCE-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819209 1268868234 /nfs/dbraw/zinc/86/82/34/1268868234.db2.gz WTQJQDHBSXYVJS-IYWMVGAKSA-N 2 0 345.531 2.750 20 30 EFEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000740738059 1269014476 /nfs/dbraw/zinc/01/44/76/1269014476.db2.gz SKXZFCPWVONKEG-HXUWFJFHSA-N 2 0 341.499 2.673 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417627 1269090480 /nfs/dbraw/zinc/09/04/80/1269090480.db2.gz WMIMZOZYHGZQQN-QFBILLFUSA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422668 1269127393 /nfs/dbraw/zinc/12/73/93/1269127393.db2.gz KDLBEAQFMKAOMZ-FQEVSTJZSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986433 1269398321 /nfs/dbraw/zinc/39/83/21/1269398321.db2.gz DMUBMOBRFKJHFZ-GOSISDBHSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001033554141 1269445445 /nfs/dbraw/zinc/44/54/45/1269445445.db2.gz ONBRZLBMWOQODF-IBGZPJMESA-N 2 0 338.455 2.985 20 30 EFEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006280239 1269664933 /nfs/dbraw/zinc/66/49/33/1269664933.db2.gz XEUGBBFEPIWOBT-IBGZPJMESA-N 2 0 333.520 2.587 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700049 1269868606 /nfs/dbraw/zinc/86/86/06/1269868606.db2.gz TVOZXYBQTZNQKZ-INIZCTEOSA-N 2 0 333.476 2.844 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832469 1270296468 /nfs/dbraw/zinc/29/64/68/1270296468.db2.gz FWPIRSSEFDTUAF-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395922 1270336989 /nfs/dbraw/zinc/33/69/89/1270336989.db2.gz LBWXMLHTMHNQEP-GOSISDBHSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086176551 1270352396 /nfs/dbraw/zinc/35/23/96/1270352396.db2.gz GBOZXDOJHNHMJK-ZIFCJYIRSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955289 1270686995 /nfs/dbraw/zinc/68/69/95/1270686995.db2.gz XVYXWXAMGBJZEG-HXUWFJFHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012537 1270828433 /nfs/dbraw/zinc/82/84/33/1270828433.db2.gz PRPNJSDRXNUUQF-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001034047127 1270958226 /nfs/dbraw/zinc/95/82/26/1270958226.db2.gz ZPDUCPKCAYBNDZ-HXUWFJFHSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001034047126 1270958246 /nfs/dbraw/zinc/95/82/46/1270958246.db2.gz ZPDUCPKCAYBNDZ-FQEVSTJZSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211850 1271367299 /nfs/dbraw/zinc/36/72/99/1271367299.db2.gz PCNCHKWMAIHKIB-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366648 1271785938 /nfs/dbraw/zinc/78/59/38/1271785938.db2.gz BZKVCJGBRKOVEN-UYAOXDASSA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034366143 1271787648 /nfs/dbraw/zinc/78/76/48/1271787648.db2.gz XEOCVVIFIFWHLX-ROUUACIJSA-N 2 0 344.503 2.691 20 30 EFEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404562 1271909277 /nfs/dbraw/zinc/90/92/77/1271909277.db2.gz KEEMBSKXXXWOMR-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034480730 1272086230 /nfs/dbraw/zinc/08/62/30/1272086230.db2.gz NBSQIDIVVSPSJI-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001034643116 1272432603 /nfs/dbraw/zinc/43/26/03/1272432603.db2.gz PMUKGJMMVDAYOZ-VQHPVUNQSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001034643112 1272432955 /nfs/dbraw/zinc/43/29/55/1272432955.db2.gz PMUKGJMMVDAYOZ-QAETUUGQSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001005580463 1272492780 /nfs/dbraw/zinc/49/27/80/1272492780.db2.gz GPMVQOCNLDHSDA-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001034674557 1272504342 /nfs/dbraw/zinc/50/43/42/1272504342.db2.gz JNHLPIIUMKVEDN-VQHPVUNQSA-N 2 0 339.911 2.773 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169133884 1272694086 /nfs/dbraw/zinc/69/40/86/1272694086.db2.gz MLYALJTXBLKTDA-LCWAXJCOSA-N 2 0 334.504 2.685 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001034735482 1272761880 /nfs/dbraw/zinc/76/18/80/1272761880.db2.gz IMPZRXLWOWBHCE-WGSAOQKQSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001034796045 1272981392 /nfs/dbraw/zinc/98/13/92/1272981392.db2.gz CKEXRLSZKQJTOQ-WGSAOQKQSA-N 2 0 329.488 2.955 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001108714657 1273394299 /nfs/dbraw/zinc/39/42/99/1273394299.db2.gz LQEDCCMUWITSSM-SCTDSRPQSA-N 2 0 345.531 2.632 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001108725778 1273413979 /nfs/dbraw/zinc/41/39/79/1273413979.db2.gz KYAZMCJLZABBNJ-IEZWGBDMSA-N 2 0 338.455 2.883 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001108732569 1273420793 /nfs/dbraw/zinc/42/07/93/1273420793.db2.gz GCDMCJXSZGLGEI-BZSNNMDCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749767 1273445721 /nfs/dbraw/zinc/44/57/21/1273445721.db2.gz KUBDHIRMEKCTHY-JQHSSLGASA-N 2 0 345.487 2.890 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108771602 1273460477 /nfs/dbraw/zinc/46/04/77/1273460477.db2.gz DDEFLDYUMHYLCV-FHWLQOOXSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764391 1273467471 /nfs/dbraw/zinc/46/74/71/1273467471.db2.gz KQDGYFVBIPPSLY-JYJNAYRXSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001108789796 1273482629 /nfs/dbraw/zinc/48/26/29/1273482629.db2.gz SHOHIPXANDINKM-UHOSZYNNSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001108799116 1273492993 /nfs/dbraw/zinc/49/29/93/1273492993.db2.gz MMRJCJFAVJZVNR-ULQDDVLXSA-N 2 0 342.487 2.697 20 30 EFEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005773458 1273519021 /nfs/dbraw/zinc/51/90/21/1273519021.db2.gz RFODUZTTWNVQGX-UHFFFAOYSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823462 1273532142 /nfs/dbraw/zinc/53/21/42/1273532142.db2.gz NNDHMGPAYFVOAC-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199562 1273768720 /nfs/dbraw/zinc/76/87/20/1273768720.db2.gz LUCBASQNSQLTOH-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035201265 1273772872 /nfs/dbraw/zinc/77/28/72/1273772872.db2.gz TVIFDPVNEKOJIQ-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035201920 1273773687 /nfs/dbraw/zinc/77/36/87/1273773687.db2.gz OCEZHJXZZNFBBD-UHFFFAOYSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035188589 1273797650 /nfs/dbraw/zinc/79/76/50/1273797650.db2.gz GGDWPBZHSQUSFL-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035225386 1273841822 /nfs/dbraw/zinc/84/18/22/1273841822.db2.gz XFGGYNKYAKVFRR-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035227074 1273847016 /nfs/dbraw/zinc/84/70/16/1273847016.db2.gz NMYNELBQXPZJDG-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035216354 1273876075 /nfs/dbraw/zinc/87/60/75/1273876075.db2.gz ZDFOHKWNOQFYGZ-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238530 1273903413 /nfs/dbraw/zinc/90/34/13/1273903413.db2.gz CMOMGUAWMATYQQ-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260151 1273955007 /nfs/dbraw/zinc/95/50/07/1273955007.db2.gz PBYDXHPZGDXBCR-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C2 ZINC001109433304 1274270334 /nfs/dbraw/zinc/27/03/34/1274270334.db2.gz INYQYIPRPGUPDA-OWSLCNJRSA-N 2 0 330.476 2.768 20 30 EFEDRP C=C(Cl)CN1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725271 1274413038 /nfs/dbraw/zinc/41/30/38/1274413038.db2.gz LMZNVJSPIDOYKZ-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035729136 1274416700 /nfs/dbraw/zinc/41/67/00/1274416700.db2.gz CFGDKFAKTXTUEK-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560476 1274418733 /nfs/dbraw/zinc/41/87/33/1274418733.db2.gz BOPMOEQKMZQTMB-QYZOEREBSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035733007 1274423521 /nfs/dbraw/zinc/42/35/21/1274423521.db2.gz KXTJZNYNCDXXRZ-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035733035 1274423723 /nfs/dbraw/zinc/42/37/23/1274423723.db2.gz LXYAXTHKDRJDRB-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035733010 1274424016 /nfs/dbraw/zinc/42/40/16/1274424016.db2.gz KXTJZNYNCDXXRZ-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035736846 1274428731 /nfs/dbraw/zinc/42/87/31/1274428731.db2.gz LCTDGXCVZAGAQZ-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035738361 1274431107 /nfs/dbraw/zinc/43/11/07/1274431107.db2.gz GBORYUNCPYMLQP-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)CC2 ZINC001035792890 1274490231 /nfs/dbraw/zinc/49/02/31/1274490231.db2.gz IBIFNOZFMZZKFX-UHFFFAOYSA-N 2 0 341.499 2.515 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635565 1274505448 /nfs/dbraw/zinc/50/54/48/1274505448.db2.gz IOUZCCBQZMBWQG-YRXWBPOGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035818060 1274511870 /nfs/dbraw/zinc/51/18/70/1274511870.db2.gz JSTCTYFEHYEBTF-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035854914 1274600985 /nfs/dbraw/zinc/60/09/85/1274600985.db2.gz AMLKZNXGMPQDHJ-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856893 1274605775 /nfs/dbraw/zinc/60/57/75/1274605775.db2.gz FEFUINQLKNHAMI-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171118195 1278898504 /nfs/dbraw/zinc/89/85/04/1278898504.db2.gz DIAFUJDDAMIZIG-HOTGVXAUSA-N 2 0 329.916 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171118193 1278898570 /nfs/dbraw/zinc/89/85/70/1278898570.db2.gz DIAFUJDDAMIZIG-CVEARBPZSA-N 2 0 329.916 2.878 20 30 EFEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975779 1274920375 /nfs/dbraw/zinc/92/03/75/1274920375.db2.gz DCQAZCNIXIEAMJ-YRXWBPOGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+](CC)CC)C2 ZINC001112548781 1275129046 /nfs/dbraw/zinc/12/90/46/1275129046.db2.gz RIOBRBZKPCKZDD-BJLQDIEVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001112580541 1275278316 /nfs/dbraw/zinc/27/83/16/1275278316.db2.gz SCQIVBRPKMXDFY-ICSRJNTNSA-N 2 0 333.520 2.657 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578295 1275284206 /nfs/dbraw/zinc/28/42/06/1275284206.db2.gz HWIMVWMMUOVMDL-ZJOUEHCJSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001112585021 1275320447 /nfs/dbraw/zinc/32/04/47/1275320447.db2.gz VWBHDYXECJTUDB-ICSRJNTNSA-N 2 0 333.520 2.657 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974067 1276271129 /nfs/dbraw/zinc/27/11/29/1276271129.db2.gz HYRDLBWENSVQKN-DLBZAZTESA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001273146129 1276303905 /nfs/dbraw/zinc/30/39/05/1276303905.db2.gz HTAIHEAMLNYZQV-OALUTQOASA-N 2 0 331.504 2.646 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965611 1276352719 /nfs/dbraw/zinc/35/27/19/1276352719.db2.gz LIKZWIOAVCVXJA-MJGOQNOKSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[C@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccncc1 ZINC000817893895 1276363607 /nfs/dbraw/zinc/36/36/07/1276363607.db2.gz HHVHRXNAPCGWNF-WBVHZDCISA-N 2 0 331.460 2.610 20 30 EFEDRP N#CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919996 1276378702 /nfs/dbraw/zinc/37/87/02/1276378702.db2.gz YCLIZKMDQCXFNS-TZIWHRDSSA-N 2 0 349.434 2.934 20 30 EFEDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819139003 1276623809 /nfs/dbraw/zinc/62/38/09/1276623809.db2.gz AMRGUDXNEGYQCK-HXUWFJFHSA-N 2 0 329.488 2.939 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000819142006 1276627451 /nfs/dbraw/zinc/62/74/51/1276627451.db2.gz LOSUYJIOZNJYFZ-SOAGJPPSSA-N 2 0 327.472 2.978 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810276 1287236598 /nfs/dbraw/zinc/23/65/98/1287236598.db2.gz XAVWMJJTVIGZLC-QWHCGFSZSA-N 2 0 334.851 2.882 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001005990467 1277317874 /nfs/dbraw/zinc/31/78/74/1277317874.db2.gz HHQNFENQONRGFB-UHFFFAOYSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001113348246 1277637035 /nfs/dbraw/zinc/63/70/35/1277637035.db2.gz FBLLYAYEKIYVNI-UHFFFAOYSA-N 2 0 329.488 2.515 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001113487320 1277952542 /nfs/dbraw/zinc/95/25/42/1277952542.db2.gz RXRDGMPOBZUHSQ-UHFFFAOYSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cc1ccccc1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001144396241 1279547349 /nfs/dbraw/zinc/54/73/49/1279547349.db2.gz YWNKHFRKBWPGNA-UHFFFAOYSA-N 2 0 331.504 2.517 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)CCNCCC(C)(C)[NH3+] ZINC001171195782 1279752299 /nfs/dbraw/zinc/75/22/99/1279752299.db2.gz UKWNMVLKYWAOPA-MRXNPFEDSA-N 2 0 330.520 2.965 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175262700 1287383716 /nfs/dbraw/zinc/38/37/16/1287383716.db2.gz KDJVJQQXKBRTPF-SFHVURJKSA-N 2 0 343.515 2.692 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001175262670 1287384088 /nfs/dbraw/zinc/38/40/88/1287384088.db2.gz JMWAUZLXGFWQCF-YJBOKZPZSA-N 2 0 327.488 2.650 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175265556 1287385747 /nfs/dbraw/zinc/38/57/47/1287385747.db2.gz ZTGLSNJGSNOYFR-SFHVURJKSA-N 2 0 343.515 2.692 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000794146859 1280046789 /nfs/dbraw/zinc/04/67/89/1280046789.db2.gz HSTCVQFVIOLYNX-LJQANCHMSA-N 2 0 329.488 2.523 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001091235443 1280202276 /nfs/dbraw/zinc/20/22/76/1280202276.db2.gz ZGWWZUDWKCJXIB-UHFFFAOYSA-N 2 0 349.906 2.641 20 30 EFEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958804 1287419118 /nfs/dbraw/zinc/41/91/18/1287419118.db2.gz GHQXKEKUOKYKEW-HZPDHXFCSA-N 2 0 341.459 2.720 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959318 1287420440 /nfs/dbraw/zinc/42/04/40/1287420440.db2.gz NOUKBUXIWZQTSH-ZIAGYGMSSA-N 2 0 347.850 2.506 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171245594 1280417459 /nfs/dbraw/zinc/41/74/59/1280417459.db2.gz ABLXGPODVAAZED-PKOBYXMFSA-N 2 0 333.520 2.681 20 30 EFEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959691 1287421258 /nfs/dbraw/zinc/42/12/58/1287421258.db2.gz RABROEPLHYGHHB-HOTGVXAUSA-N 2 0 341.459 2.720 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001146613571 1280952882 /nfs/dbraw/zinc/95/28/82/1280952882.db2.gz UGHRCMJROXFZGD-ZWKOTPCHSA-N 2 0 347.547 2.785 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147658274 1281230979 /nfs/dbraw/zinc/23/09/79/1281230979.db2.gz NWAPVKRMXUSMQJ-SJORKVTESA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147835207 1281309810 /nfs/dbraw/zinc/30/98/10/1281309810.db2.gz DVQPUOGLPFOBDC-UHFFFAOYSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147847222 1281319641 /nfs/dbraw/zinc/31/96/41/1281319641.db2.gz QVMICRPVYCRDHE-KRWDZBQOSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147890020 1281324626 /nfs/dbraw/zinc/32/46/26/1281324626.db2.gz PTFRVRQBIFLJGO-MRXNPFEDSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993570 1281395493 /nfs/dbraw/zinc/39/54/93/1281395493.db2.gz WIMIYDJFSIBIML-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284845 1281493366 /nfs/dbraw/zinc/49/33/66/1281493366.db2.gz HJJITXDIOAAOPG-ROUUACIJSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001148384684 1281542335 /nfs/dbraw/zinc/54/23/35/1281542335.db2.gz IKXBSVCUWZCXNH-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001148445358 1281575627 /nfs/dbraw/zinc/57/56/27/1281575627.db2.gz PORZOVWKGPWXSB-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731748 1281639629 /nfs/dbraw/zinc/63/96/29/1281639629.db2.gz VGNIZARVGUCTHA-ZVDOUQERSA-N 2 0 347.547 2.711 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4nccn43)C[C@]2(C)C1 ZINC001091737492 1281685057 /nfs/dbraw/zinc/68/50/57/1281685057.db2.gz GOAJILGVKPILRB-UWVAXJGDSA-N 2 0 342.487 2.507 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086910325 1281913038 /nfs/dbraw/zinc/91/30/38/1281913038.db2.gz QXRIOVBSWHWSSO-HZPDHXFCSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923377 1281935525 /nfs/dbraw/zinc/93/55/25/1281935525.db2.gz QJOONJIWBMDYJJ-PKOBYXMFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086923796 1281938088 /nfs/dbraw/zinc/93/80/88/1281938088.db2.gz BNFOYHWOFIMKIA-KZNAEPCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924694 1281941031 /nfs/dbraw/zinc/94/10/31/1281941031.db2.gz ZNDLYBHIQRRLRF-IPMKNSEASA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939623 1281966558 /nfs/dbraw/zinc/96/65/58/1281966558.db2.gz VYLYISFFCJDCEA-FHWLQOOXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001086943252 1281975275 /nfs/dbraw/zinc/97/52/75/1281975275.db2.gz PJSLTDRVDMFJQE-ROUUACIJSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946518 1281983803 /nfs/dbraw/zinc/98/38/03/1281983803.db2.gz BIBDMYOTTJXGEM-GOSISDBHSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947229 1281986900 /nfs/dbraw/zinc/98/69/00/1281986900.db2.gz SCRXQJIQEBFRKY-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086933955 1282007603 /nfs/dbraw/zinc/00/76/03/1282007603.db2.gz BRLLMFXOQDATFD-PKOBYXMFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001086957361 1282028966 /nfs/dbraw/zinc/02/89/66/1282028966.db2.gz KWECPGYOBALDSV-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958263 1282032270 /nfs/dbraw/zinc/03/22/70/1282032270.db2.gz KXRBAWOOEARXOO-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071204 1282366619 /nfs/dbraw/zinc/36/66/19/1282366619.db2.gz LOSGBIXTGKTSJA-GGPKGHCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092189605 1282448526 /nfs/dbraw/zinc/44/85/26/1282448526.db2.gz GHVLZNSLSROBOJ-SBHAEUEKSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100071 1287595841 /nfs/dbraw/zinc/59/58/41/1287595841.db2.gz ARTGLBOGKDBFIY-IAGOWNOFSA-N 2 0 331.504 2.853 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608019 1282841295 /nfs/dbraw/zinc/84/12/95/1282841295.db2.gz HVELFWKBJSCYFW-FGTMMUONSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141016 1283065201 /nfs/dbraw/zinc/06/52/01/1283065201.db2.gz NXGPFYKMWIHXHF-ROUUACIJSA-N 2 0 344.503 2.843 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141524 1283068627 /nfs/dbraw/zinc/06/86/27/1283068627.db2.gz RJXUJBLIPOIKKP-QZTJIDSGSA-N 2 0 344.503 2.843 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173344 1283086742 /nfs/dbraw/zinc/08/67/42/1283086742.db2.gz LEWVCGYGMSWENB-DOTOQJQBSA-N 2 0 326.444 2.883 20 30 EFEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206828 1283157376 /nfs/dbraw/zinc/15/73/76/1283157376.db2.gz OEZVJSNRMIEJEJ-ROUUACIJSA-N 2 0 333.520 2.633 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731150 1283290552 /nfs/dbraw/zinc/29/05/52/1283290552.db2.gz OZGOODZRKRRSIE-WBVHZDCISA-N 2 0 347.528 2.922 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748411 1283394515 /nfs/dbraw/zinc/39/45/15/1283394515.db2.gz DLUYIHFACIPCDH-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754518 1283420835 /nfs/dbraw/zinc/42/08/35/1283420835.db2.gz HLXXQRWVHHNOLA-WMZOPIPTSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426212 1283551451 /nfs/dbraw/zinc/55/14/51/1283551451.db2.gz UCMYZEWWHBITEM-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793598 1283723842 /nfs/dbraw/zinc/72/38/42/1283723842.db2.gz HYXQXUGQVJKVJW-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793595 1283724660 /nfs/dbraw/zinc/72/46/60/1283724660.db2.gz HYXQXUGQVJKVJW-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801284 1283767824 /nfs/dbraw/zinc/76/78/24/1283767824.db2.gz JDZNCVJMGJADFE-FUHWJXTLSA-N 2 0 345.487 2.844 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093361299 1283784612 /nfs/dbraw/zinc/78/46/12/1283784612.db2.gz JVIIEGOWBWLQTB-RTBURBONSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374024 1283819414 /nfs/dbraw/zinc/81/94/14/1283819414.db2.gz XJOBZMMMFKHGED-MSOLQXFVSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112047 1287714168 /nfs/dbraw/zinc/71/41/68/1287714168.db2.gz MRZDKZIAPMRVCN-YLJYHZDGSA-N 2 0 331.504 2.914 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941008 1284497272 /nfs/dbraw/zinc/49/72/72/1284497272.db2.gz DJDBFTLZJUQLBD-ROUUACIJSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120148 1287717269 /nfs/dbraw/zinc/71/72/69/1287717269.db2.gz JRIZFNRSPPLZIB-UYAOXDASSA-N 2 0 343.515 2.967 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132950948 1284511772 /nfs/dbraw/zinc/51/17/72/1284511772.db2.gz SPYSDJRTLVZRMD-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953550 1284535236 /nfs/dbraw/zinc/53/52/36/1284535236.db2.gz GIAVDMMTXDVZLY-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953175 1284535461 /nfs/dbraw/zinc/53/54/61/1284535461.db2.gz BZKSGHUNAPZEEW-XJKSGUPXSA-N 2 0 346.862 2.775 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132955666 1284537984 /nfs/dbraw/zinc/53/79/84/1284537984.db2.gz UFNAUJDTJPCISJ-AEFFLSMTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132955537 1284538284 /nfs/dbraw/zinc/53/82/84/1284538284.db2.gz SVTBFPKRLWOMGL-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132974173 1284543638 /nfs/dbraw/zinc/54/36/38/1284543638.db2.gz XIUPQVYWXDMHLM-WBVHZDCISA-N 2 0 326.444 2.598 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001133016665 1284627227 /nfs/dbraw/zinc/62/72/27/1284627227.db2.gz PAPXGFSVJKPCRH-HKUYNNGSSA-N 2 0 343.515 2.665 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011369 1284653212 /nfs/dbraw/zinc/65/32/12/1284653212.db2.gz IZGVMRHVXFCVGT-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011367 1284654474 /nfs/dbraw/zinc/65/44/74/1284654474.db2.gz IZGVMRHVXFCVGT-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133038894 1284663242 /nfs/dbraw/zinc/66/32/42/1284663242.db2.gz HMMPLENEOIQZHC-ZBFHGGJFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064432 1284729655 /nfs/dbraw/zinc/72/96/55/1284729655.db2.gz MQUCDCMMCPIMBK-RDJZCZTQSA-N 2 0 333.476 2.605 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133064429 1284729978 /nfs/dbraw/zinc/72/99/78/1284729978.db2.gz MQUCDCMMCPIMBK-DOTOQJQBSA-N 2 0 333.476 2.605 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117356 1284823580 /nfs/dbraw/zinc/82/35/80/1284823580.db2.gz JPGZBSZZJACEED-HOCLYGCPSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121977 1284831480 /nfs/dbraw/zinc/83/14/80/1284831480.db2.gz NCNQZMJGAYCEED-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133154835 1284884854 /nfs/dbraw/zinc/88/48/54/1284884854.db2.gz HBAROCWJFICTLA-PBHICJAKSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133162522 1284916803 /nfs/dbraw/zinc/91/68/03/1284916803.db2.gz NHUVJFGVQICGPT-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133194474 1284972327 /nfs/dbraw/zinc/97/23/27/1284972327.db2.gz GJYCGWDQKJVBDF-OALUTQOASA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418205 1285046214 /nfs/dbraw/zinc/04/62/14/1285046214.db2.gz MXECGCIANHOYCX-JRBPQWBISA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133249874 1285052883 /nfs/dbraw/zinc/05/28/83/1285052883.db2.gz LOOZZODFEFTCLA-IRXDYDNUSA-N 2 0 344.503 2.802 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094430202 1285072577 /nfs/dbraw/zinc/07/25/77/1285072577.db2.gz HKJTUKPPXLOKNE-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133262885 1285079711 /nfs/dbraw/zinc/07/97/11/1285079711.db2.gz NCTWGLPXIHOGHA-HOCLYGCPSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450655 1285119452 /nfs/dbraw/zinc/11/94/52/1285119452.db2.gz YATISBBFMSYBIU-LZLYRXPVSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333999 1285210001 /nfs/dbraw/zinc/21/00/01/1285210001.db2.gz PPGDHEOKRCQYJF-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001133336819 1285213775 /nfs/dbraw/zinc/21/37/75/1285213775.db2.gz GBULPOXNAVAJRL-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001133337229 1285214984 /nfs/dbraw/zinc/21/49/84/1285214984.db2.gz KKOBLSVWJXRHDH-UYAOXDASSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133338039 1285217078 /nfs/dbraw/zinc/21/70/78/1285217078.db2.gz SBYIIUKVOGVLKK-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158232 1285243025 /nfs/dbraw/zinc/24/30/25/1285243025.db2.gz IKIPXHOFGZVMSK-XWSJACJDSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133403958 1285355461 /nfs/dbraw/zinc/35/54/61/1285355461.db2.gz RJUUVWYTGZTAIK-CRAIPNDOSA-N 2 0 349.906 2.642 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)[NH+](C)C ZINC001133405524 1285358245 /nfs/dbraw/zinc/35/82/45/1285358245.db2.gz COVNJJOXXUADDE-SFHVURJKSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001133407824 1285368130 /nfs/dbraw/zinc/36/81/30/1285368130.db2.gz PDRRSVXVRRFGDZ-KRWDZBQOSA-N 2 0 349.906 2.786 20 30 EFEDRP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001133410764 1285373567 /nfs/dbraw/zinc/37/35/67/1285373567.db2.gz ZZTLNLILIKDBCM-KRWDZBQOSA-N 2 0 349.906 2.786 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902142 1285379551 /nfs/dbraw/zinc/37/95/51/1285379551.db2.gz FTIDTFXQGIFPEI-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@H]21 ZINC001036902139 1285380793 /nfs/dbraw/zinc/38/07/93/1285380793.db2.gz FTIDTFXQGIFPEI-AZUAARDMSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036903100 1285385879 /nfs/dbraw/zinc/38/58/79/1285385879.db2.gz VOPCOCFVGGXIQZ-ICSRJNTNSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903973 1285391267 /nfs/dbraw/zinc/39/12/67/1285391267.db2.gz KEQJERDBWDYJKS-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903971 1285391665 /nfs/dbraw/zinc/39/16/65/1285391665.db2.gz KEQJERDBWDYJKS-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161797 1285507488 /nfs/dbraw/zinc/50/74/88/1285507488.db2.gz UBOCUKXRPAXMSH-XWSJACJDSA-N 2 0 333.520 2.795 20 30 EFEDRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001171500243 1285584928 /nfs/dbraw/zinc/58/49/28/1285584928.db2.gz JLAWGLZBXSDUHT-AZUAARDMSA-N 2 0 343.515 2.643 20 30 EFEDRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001171508581 1285616305 /nfs/dbraw/zinc/61/63/05/1285616305.db2.gz GIMHPVUNUDITCU-QFBILLFUSA-N 2 0 344.503 2.663 20 30 EFEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171619210 1285682339 /nfs/dbraw/zinc/68/23/39/1285682339.db2.gz RHCDLULJUNBOLE-QGZVFWFLSA-N 2 0 332.492 2.749 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669558 1285705656 /nfs/dbraw/zinc/70/56/56/1285705656.db2.gz ZNYNMSROLRNFSY-OAHLLOKOSA-N 2 0 327.900 2.632 20 30 EFEDRP C#CCOCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977054 1285959880 /nfs/dbraw/zinc/95/98/80/1285959880.db2.gz WSDSBGXDHPBBJL-HXUWFJFHSA-N 2 0 344.499 2.686 20 30 EFEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172117343 1286027303 /nfs/dbraw/zinc/02/73/03/1286027303.db2.gz IYOLUVYPRXBATP-PIIMJCKOSA-N 2 0 331.504 2.645 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001172300802 1286088995 /nfs/dbraw/zinc/08/89/95/1286088995.db2.gz ZZMKZJVSWCMTJK-KRWDZBQOSA-N 2 0 341.499 2.970 20 30 EFEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001172496261 1286170256 /nfs/dbraw/zinc/17/02/56/1286170256.db2.gz ZAXQFOSTOBWQTE-KRWDZBQOSA-N 2 0 329.492 2.933 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094932981 1286221422 /nfs/dbraw/zinc/22/14/22/1286221422.db2.gz QCHIAFJJJZBRPK-IMJJTQAJSA-N 2 0 333.501 2.578 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001094962060 1286301806 /nfs/dbraw/zinc/30/18/06/1286301806.db2.gz NTHHPFRRRWYCPF-QRTARXTBSA-N 2 0 344.846 2.670 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126173 1286373332 /nfs/dbraw/zinc/37/33/32/1286373332.db2.gz CDOJRNXPTBXYPQ-UXHICEINSA-N 2 0 343.515 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170742339 1286524565 /nfs/dbraw/zinc/52/45/65/1286524565.db2.gz LEIMEVYKKGRYSE-CVEARBPZSA-N 2 0 329.916 2.876 20 30 EFEDRP N#CCC1CCC([N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001173334662 1286530166 /nfs/dbraw/zinc/53/01/66/1286530166.db2.gz ZXTQPZRTQOUEBB-UHFFFAOYSA-N 2 0 341.503 2.809 20 30 EFEDRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173341477 1286531293 /nfs/dbraw/zinc/53/12/93/1286531293.db2.gz WRACKOCWUNHSST-LXPRWKDFSA-N 2 0 347.503 2.808 20 30 EFEDRP C=CCOC1CCC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001173316689 1286537981 /nfs/dbraw/zinc/53/79/81/1286537981.db2.gz LOTDGFOWUASWCX-UHFFFAOYSA-N 2 0 336.520 2.981 20 30 EFEDRP CC[C@@H]1CN(C(NC[C@H]2CCC[N@H+](CC(C)C)C2)=[NH+]C)CCS1 ZINC000123651652 1287121419 /nfs/dbraw/zinc/12/14/19/1287121419.db2.gz QQDNBYAVDJNHHD-IAGOWNOFSA-N 2 0 340.581 2.757 20 30 EFEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179565204 1289178368 /nfs/dbraw/zinc/17/83/68/1289178368.db2.gz MMEPUCNVAUIRHM-SFHVURJKSA-N 2 0 341.540 2.576 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774257 1287171960 /nfs/dbraw/zinc/17/19/60/1287171960.db2.gz WWPJSWQRVWOBFT-HZPDHXFCSA-N 2 0 344.503 2.661 20 30 EFEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001135371729 1287978523 /nfs/dbraw/zinc/97/85/23/1287978523.db2.gz IJVZJDCOHUJHTR-JKSUJKDBSA-N 2 0 349.906 2.516 20 30 EFEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481205 1288037172 /nfs/dbraw/zinc/03/71/72/1288037172.db2.gz RGOBHBJMVMRYGQ-ZWKOTPCHSA-N 2 0 331.504 2.610 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCCC)CC1 ZINC001176738237 1288089024 /nfs/dbraw/zinc/08/90/24/1288089024.db2.gz PUACUNGLRRHJKS-GOSISDBHSA-N 2 0 335.536 2.786 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760168 1288122554 /nfs/dbraw/zinc/12/25/54/1288122554.db2.gz QWRXDZQTWDYJOD-JKSUJKDBSA-N 2 0 329.916 2.878 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001176809546 1288131711 /nfs/dbraw/zinc/13/17/11/1288131711.db2.gz BTKYTCBQJMNLPI-INIZCTEOSA-N 2 0 333.476 2.633 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086746539 1288174914 /nfs/dbraw/zinc/17/49/14/1288174914.db2.gz CTIKSFBFIJBICJ-DZGCQCFKSA-N 2 0 332.835 2.575 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001176925762 1288175532 /nfs/dbraw/zinc/17/55/32/1288175532.db2.gz ARATVDYOUMYWDX-OALUTQOASA-N 2 0 347.547 2.644 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001176925763 1288175616 /nfs/dbraw/zinc/17/56/16/1288175616.db2.gz ARATVDYOUMYWDX-RBUKOAKNSA-N 2 0 347.547 2.644 20 30 EFEDRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176948250 1288191519 /nfs/dbraw/zinc/19/15/19/1288191519.db2.gz MNIGPXIPEHKLGW-UHFFFAOYSA-N 2 0 349.478 2.509 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001177335831 1288396762 /nfs/dbraw/zinc/39/67/62/1288396762.db2.gz MKJLTQKJAPSGFN-FQEVSTJZSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001177398833 1288419665 /nfs/dbraw/zinc/41/96/65/1288419665.db2.gz YSQXRRBHQBNGQZ-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001177415702 1288423995 /nfs/dbraw/zinc/42/39/95/1288423995.db2.gz IQNSKJNEOWLBTJ-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001177462958 1288429106 /nfs/dbraw/zinc/42/91/06/1288429106.db2.gz HNRSKKIOTBMZBF-VQTJNVASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001177462881 1288429127 /nfs/dbraw/zinc/42/91/27/1288429127.db2.gz CWZGNDXSTLODRJ-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001177434172 1288438971 /nfs/dbraw/zinc/43/89/71/1288438971.db2.gz RNPUFGRWTCBWKY-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001177433699 1288439767 /nfs/dbraw/zinc/43/97/67/1288439767.db2.gz JSCLTXRJIKYLEZ-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001177440577 1288442596 /nfs/dbraw/zinc/44/25/96/1288442596.db2.gz LVXPZTWCAXJYTQ-VQTJNVASSA-N 2 0 345.531 2.635 20 30 EFEDRP C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCCC[NH+](C)C ZINC001135966192 1288689677 /nfs/dbraw/zinc/68/96/77/1288689677.db2.gz KLUPKNPZPWMHFA-DLBZAZTESA-N 2 0 344.503 2.663 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178617466 1288839038 /nfs/dbraw/zinc/83/90/38/1288839038.db2.gz IIFNYAQTCUZDQH-UHFFFAOYSA-N 2 0 335.517 2.713 20 30 EFEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707468 1288879809 /nfs/dbraw/zinc/87/98/09/1288879809.db2.gz HEAPDMURAJPCOO-LNLFQRSKSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729376 1288900673 /nfs/dbraw/zinc/90/06/73/1288900673.db2.gz VUVIFXKXQOBWCD-MRXNPFEDSA-N 2 0 329.916 2.880 20 30 EFEDRP CC[C@H](C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001178816213 1288946037 /nfs/dbraw/zinc/94/60/37/1288946037.db2.gz XHDHGSVXUHIIJB-HXUWFJFHSA-N 2 0 343.515 2.645 20 30 EFEDRP C=CCC[NH2+]CCCCCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001180035870 1289391752 /nfs/dbraw/zinc/39/17/52/1289391752.db2.gz XTVZDUPVNFHLCP-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165927124 1312705985 /nfs/dbraw/zinc/70/59/85/1312705985.db2.gz RJXGJDVDDBXWLO-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001180360660 1289495119 /nfs/dbraw/zinc/49/51/19/1289495119.db2.gz LWLMMAJIXKHVHD-SFHVURJKSA-N 2 0 335.536 2.644 20 30 EFEDRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001180369767 1289516383 /nfs/dbraw/zinc/51/63/83/1289516383.db2.gz WJSOENCQGRZEOG-UHFFFAOYSA-N 2 0 344.503 2.665 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181517562 1289852291 /nfs/dbraw/zinc/85/22/91/1289852291.db2.gz IVTDWEGTXHSVJY-AJYBTWMASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114624557 1289924449 /nfs/dbraw/zinc/92/44/49/1289924449.db2.gz UVYDQJFTYWCLFJ-RUYXUALKSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001181885224 1289989721 /nfs/dbraw/zinc/98/97/21/1289989721.db2.gz SOLOOKQPTFGKFZ-UYAOXDASSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001181992930 1290027741 /nfs/dbraw/zinc/02/77/41/1290027741.db2.gz SOXPIYNHHBSVPN-FOIQADDNSA-N 2 0 340.471 2.907 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001181993083 1290028214 /nfs/dbraw/zinc/02/82/14/1290028214.db2.gz XJACKDOODWVHCB-AUUYWEPGSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001182402377 1290182159 /nfs/dbraw/zinc/18/21/59/1290182159.db2.gz WMKPCUKGFHKXLH-ZHALLVOQSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623368 1290226204 /nfs/dbraw/zinc/22/62/04/1290226204.db2.gz LGNDGDZCYZSMAU-RDTXWAMCSA-N 2 0 343.943 2.791 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623105 1290226475 /nfs/dbraw/zinc/22/64/75/1290226475.db2.gz BIHBKFPFLFHAJQ-YLJYHZDGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001183509484 1290357369 /nfs/dbraw/zinc/35/73/69/1290357369.db2.gz IMSDRCBFOPMKLX-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184651053 1290487815 /nfs/dbraw/zinc/48/78/15/1290487815.db2.gz BWOWQCIZLRUAEF-OALUTQOASA-N 2 0 347.547 2.903 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001184700388 1290496235 /nfs/dbraw/zinc/49/62/35/1290496235.db2.gz CYKDOYAIJZMGAN-HOCLYGCPSA-N 2 0 326.444 2.517 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184736426 1290508055 /nfs/dbraw/zinc/50/80/55/1290508055.db2.gz UIUOZTABHUDJBQ-DOTOQJQBSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821207 1290530724 /nfs/dbraw/zinc/53/07/24/1290530724.db2.gz JJJPTLWPXOGUJY-IRXDYDNUSA-N 2 0 340.471 2.988 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184882981 1290535658 /nfs/dbraw/zinc/53/56/58/1290535658.db2.gz PYNSTOVROCZIJG-MOPGFXCFSA-N 2 0 347.547 2.596 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892548 1290538800 /nfs/dbraw/zinc/53/88/00/1290538800.db2.gz QKCDTWHNOIURNE-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892106 1290538865 /nfs/dbraw/zinc/53/88/65/1290538865.db2.gz MYVOJIQUXKQHIP-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892105 1290538889 /nfs/dbraw/zinc/53/88/89/1290538889.db2.gz MYVOJIQUXKQHIP-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184881783 1290544634 /nfs/dbraw/zinc/54/46/34/1290544634.db2.gz ADVFZFPHSJSWJM-ROUUACIJSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185053299 1290576990 /nfs/dbraw/zinc/57/69/90/1290576990.db2.gz SBIYIFLKVJAFKQ-DLBZAZTESA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185167812 1290606618 /nfs/dbraw/zinc/60/66/18/1290606618.db2.gz FJGYSFXDTOEMTO-ROUUACIJSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168530 1290607193 /nfs/dbraw/zinc/60/71/93/1290607193.db2.gz HIHWAMXJFJFCTK-GOEBONIOSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261361 1290627782 /nfs/dbraw/zinc/62/77/82/1290627782.db2.gz UAHPSKHVFDGAQB-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001185381829 1290661759 /nfs/dbraw/zinc/66/17/59/1290661759.db2.gz SIIVUKMOSMZVKA-MOPGFXCFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185501873 1290693324 /nfs/dbraw/zinc/69/33/24/1290693324.db2.gz JISUQWFYPUNZOD-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203168598 1290730597 /nfs/dbraw/zinc/73/05/97/1290730597.db2.gz LKXFSYFBZGVDNF-ROUUACIJSA-N 2 0 338.455 2.931 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203168594 1290730860 /nfs/dbraw/zinc/73/08/60/1290730860.db2.gz LKXFSYFBZGVDNF-MSOLQXFVSA-N 2 0 338.455 2.931 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185675874 1290747189 /nfs/dbraw/zinc/74/71/89/1290747189.db2.gz ALWQXFXYTAXQTL-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185675875 1290747577 /nfs/dbraw/zinc/74/75/77/1290747577.db2.gz ALWQXFXYTAXQTL-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000956961226 1290939201 /nfs/dbraw/zinc/93/92/01/1290939201.db2.gz WVYPFEAVPQFHTG-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)CC1 ZINC001186597343 1290995049 /nfs/dbraw/zinc/99/50/49/1290995049.db2.gz HKQIVGRSWGSEAS-GOSISDBHSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596877 1290995139 /nfs/dbraw/zinc/99/51/39/1290995139.db2.gz CWKWLOXBBQHIRN-IBGZPJMESA-N 2 0 347.547 2.692 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000957117841 1291111280 /nfs/dbraw/zinc/11/12/80/1291111280.db2.gz JGVUMOBJNQKEEE-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166801938 1312844402 /nfs/dbraw/zinc/84/44/02/1312844402.db2.gz FQJPNUNAAVACKQ-IBGZPJMESA-N 2 0 345.531 2.683 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166803804 1312844465 /nfs/dbraw/zinc/84/44/65/1312844465.db2.gz XKWBFAFEYHTKJG-GOSISDBHSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166803322 1312844523 /nfs/dbraw/zinc/84/45/23/1312844523.db2.gz QXUBHCLOEUDGRA-IBGZPJMESA-N 2 0 345.531 2.683 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001188325105 1291369903 /nfs/dbraw/zinc/36/99/03/1291369903.db2.gz FXBDYSAPLKGDCV-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP Cn1c[nH+]cc1N[C@]12CC[C@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277765832 1312862014 /nfs/dbraw/zinc/86/20/14/1312862014.db2.gz SXUKGJCJWIAWCD-RBUKOAKNSA-N 2 0 338.459 2.677 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544928 1291738822 /nfs/dbraw/zinc/73/88/22/1291738822.db2.gz BSXKDDCSXMTUBH-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC000957544947 1291739405 /nfs/dbraw/zinc/73/94/05/1291739405.db2.gz CDJLRORAVUZBNB-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC000957550249 1291747893 /nfs/dbraw/zinc/74/78/93/1291747893.db2.gz PNWINBFRJZJWGK-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550181 1291747990 /nfs/dbraw/zinc/74/79/90/1291747990.db2.gz MQSXJWXYHYLNGY-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957555869 1291759480 /nfs/dbraw/zinc/75/94/80/1291759480.db2.gz PXLFSTZJWGWGRQ-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957559361 1291764914 /nfs/dbraw/zinc/76/49/14/1291764914.db2.gz GNCQJYDMTATAKT-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000957560381 1291766353 /nfs/dbraw/zinc/76/63/53/1291766353.db2.gz XTHFKGMDIPJCTP-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561353 1291768565 /nfs/dbraw/zinc/76/85/65/1291768565.db2.gz MUBXVMQXVFOBAD-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568285 1291780365 /nfs/dbraw/zinc/78/03/65/1291780365.db2.gz GUHYSQOGLFBONE-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000957573382 1291785443 /nfs/dbraw/zinc/78/54/43/1291785443.db2.gz VRMZCEVAEFDVQM-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000957578951 1291794754 /nfs/dbraw/zinc/79/47/54/1291794754.db2.gz CJKNPQNTKLLYFF-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779463 1312881319 /nfs/dbraw/zinc/88/13/19/1312881319.db2.gz HXEMUGFDJYIVOT-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001277779902 1312882032 /nfs/dbraw/zinc/88/20/32/1312882032.db2.gz VUDDKLPQITZJNF-REPLKXPHSA-N 2 0 335.536 2.711 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277779892 1312882192 /nfs/dbraw/zinc/88/21/92/1312882192.db2.gz VJHYZHNZUNFITJ-QUCCMNQESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016616191 1312883409 /nfs/dbraw/zinc/88/34/09/1312883409.db2.gz AHFSUCJCIDZMKK-JKSUJKDBSA-N 2 0 339.911 2.582 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593332 1291832600 /nfs/dbraw/zinc/83/26/00/1291832600.db2.gz SKPWIXPQASTBDC-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189731992 1291843115 /nfs/dbraw/zinc/84/31/15/1291843115.db2.gz BWWKBABZSKFAHT-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189772165 1291852736 /nfs/dbraw/zinc/85/27/36/1291852736.db2.gz XKBMBDQPBNCRNS-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603215 1291855214 /nfs/dbraw/zinc/85/52/14/1291855214.db2.gz OKXDVONYGIVSLR-RBUKOAKNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605499 1291859601 /nfs/dbraw/zinc/85/96/01/1291859601.db2.gz GEOCWATUIKCWLN-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605446 1291860079 /nfs/dbraw/zinc/86/00/79/1291860079.db2.gz CCRYAHPHTZZQEH-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957620909 1291900710 /nfs/dbraw/zinc/90/07/10/1291900710.db2.gz ONJSSONJZCKBET-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957636000 1291934622 /nfs/dbraw/zinc/93/46/22/1291934622.db2.gz RUSNTGDNELRDBM-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957645011 1291954318 /nfs/dbraw/zinc/95/43/18/1291954318.db2.gz RLOXXNUNYBBIIM-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647302 1291958318 /nfs/dbraw/zinc/95/83/18/1291958318.db2.gz BLAUHYRDJAEANZ-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221809 1292049832 /nfs/dbraw/zinc/04/98/32/1292049832.db2.gz ONWWSALDZWQMFM-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221456 1292050509 /nfs/dbraw/zinc/05/05/09/1292050509.db2.gz AQVVFKYFYUYZMT-OALUTQOASA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312293 1312905853 /nfs/dbraw/zinc/90/58/53/1312905853.db2.gz RLGKHWPRZJIOBY-SJORKVTESA-N 2 0 345.487 2.938 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312290 1312905943 /nfs/dbraw/zinc/90/59/43/1312905943.db2.gz RLGKHWPRZJIOBY-DLBZAZTESA-N 2 0 345.487 2.938 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190443924 1292163942 /nfs/dbraw/zinc/16/39/42/1292163942.db2.gz LMCXDXRCWBWINZ-MRXNPFEDSA-N 2 0 335.517 2.922 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016655104 1312907422 /nfs/dbraw/zinc/90/74/22/1312907422.db2.gz MTZFJHRVQDRWBV-OALUTQOASA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049479901 1312909016 /nfs/dbraw/zinc/90/90/16/1312909016.db2.gz CNMXWQRLEXXNIH-ZSYWTGECSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663974 1312912165 /nfs/dbraw/zinc/91/21/65/1312912165.db2.gz WSCUJZWVWUEPHZ-MOPGFXCFSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663991 1312912220 /nfs/dbraw/zinc/91/22/20/1312912220.db2.gz WSCUJZWVWUEPHZ-RTBURBONSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461707 1312929673 /nfs/dbraw/zinc/92/96/73/1312929673.db2.gz HMZMWCUIFDHPSU-ROUUACIJSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697452 1312932419 /nfs/dbraw/zinc/93/24/19/1312932419.db2.gz HAUBGFKWBMLONR-SFHVURJKSA-N 2 0 338.455 2.803 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701921 1312934616 /nfs/dbraw/zinc/93/46/16/1312934616.db2.gz GLYAUBMWEHIZDM-QZTJIDSGSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544071 1292563689 /nfs/dbraw/zinc/56/36/89/1292563689.db2.gz XQUCXQYZDSOUQZ-GOSISDBHSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707584 1312937605 /nfs/dbraw/zinc/93/76/05/1312937605.db2.gz XSWZRTYAQNSWCF-QGZVFWFLSA-N 2 0 331.504 2.552 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016736433 1312952309 /nfs/dbraw/zinc/95/23/09/1312952309.db2.gz HGJDGFLCRLLQOF-SFHVURJKSA-N 2 0 338.455 2.885 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049515938 1312952900 /nfs/dbraw/zinc/95/29/00/1312952900.db2.gz WWDUMLNSRPLUPT-GBESFXJTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049515939 1312953209 /nfs/dbraw/zinc/95/32/09/1312953209.db2.gz WWDUMLNSRPLUPT-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114840823 1292824111 /nfs/dbraw/zinc/82/41/11/1292824111.db2.gz OJTHHILRYNTLAK-DZFIZOCASA-N 2 0 333.520 2.511 20 30 EFEDRP CCCCCCC[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001192932117 1293113554 /nfs/dbraw/zinc/11/35/54/1293113554.db2.gz ZSJOUYJVONRXIV-KRWDZBQOSA-N 2 0 328.545 2.870 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026823 1293145258 /nfs/dbraw/zinc/14/52/58/1293145258.db2.gz MJCNCKZIVFLJBU-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001016793081 1312983311 /nfs/dbraw/zinc/98/33/11/1312983311.db2.gz FIHDKVHSAGWIBC-BZSNNMDCSA-N 2 0 333.520 2.654 20 30 EFEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(F)c(C#N)c(F)c2)CC1 ZINC001203674630 1312987251 /nfs/dbraw/zinc/98/72/51/1312987251.db2.gz NFPLUORENDYKKK-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408516 1293295251 /nfs/dbraw/zinc/29/52/51/1293295251.db2.gz LWNNUPWUKHPTDE-ICSRJNTNSA-N 2 0 329.488 2.572 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408893 1293295557 /nfs/dbraw/zinc/29/55/57/1293295557.db2.gz RWEDVTOAQUTDMR-FPOVZHCZSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544610 1312991559 /nfs/dbraw/zinc/99/15/59/1312991559.db2.gz DRJVDHYRPDQVGA-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001193786056 1293429638 /nfs/dbraw/zinc/42/96/38/1293429638.db2.gz DFPYFFRAJWYBKF-SFHVURJKSA-N 2 0 332.492 2.632 20 30 EFEDRP C#CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000883131929 1293473559 /nfs/dbraw/zinc/47/35/59/1293473559.db2.gz ZIQHPQCKBZYAGB-UHFFFAOYSA-N 2 0 336.439 2.878 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC/C=C\CCC)C2)CC1 ZINC001194246547 1293569479 /nfs/dbraw/zinc/56/94/79/1293569479.db2.gz OMBCGWZOEQYMTA-WHXUGTBJSA-N 2 0 345.531 2.611 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203771803 1313011608 /nfs/dbraw/zinc/01/16/08/1313011608.db2.gz PAUFHFSZMNOUGV-RTBURBONSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2ccnc2)C1 ZINC001194449122 1293627279 /nfs/dbraw/zinc/62/72/79/1293627279.db2.gz PLNPPMHLMZFSTC-GOSISDBHSA-N 2 0 332.492 2.942 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565666 1313025567 /nfs/dbraw/zinc/02/55/67/1313025567.db2.gz VYFIPJDJLCJZGL-RTBURBONSA-N 2 0 345.531 2.728 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565664 1313025712 /nfs/dbraw/zinc/02/57/12/1313025712.db2.gz VYFIPJDJLCJZGL-RBUKOAKNSA-N 2 0 345.531 2.728 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203825810 1313025799 /nfs/dbraw/zinc/02/57/99/1313025799.db2.gz VTIIEZZTEAQUTE-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568777 1313030494 /nfs/dbraw/zinc/03/04/94/1313030494.db2.gz WKFKKJMFFYSJNM-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569545 1313031313 /nfs/dbraw/zinc/03/13/13/1313031313.db2.gz ZDSLRQVFZXDQJF-ROUUACIJSA-N 2 0 331.504 2.646 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571773 1313034088 /nfs/dbraw/zinc/03/40/88/1313034088.db2.gz GXTBSOCALDYMHB-OALUTQOASA-N 2 0 338.455 2.979 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC/C=C/CCC)CC2)CC1 ZINC001203869398 1313037295 /nfs/dbraw/zinc/03/72/95/1313037295.db2.gz FQVBNJVQAIITNC-VOTSOKGWSA-N 2 0 345.531 2.659 20 30 EFEDRP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C[C@@H]4CCCO4)(C2)CCC3)cc1C#N ZINC001276433688 1313061003 /nfs/dbraw/zinc/06/10/03/1313061003.db2.gz OICLKEBPWILWJT-SLFFLAALSA-N 2 0 342.487 2.600 20 30 EFEDRP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(C#N)c(Cl)c1)C2 ZINC001276437027 1313070665 /nfs/dbraw/zinc/07/06/65/1313070665.db2.gz YKQGXSXZHLHTHF-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016982815 1313071278 /nfs/dbraw/zinc/07/12/78/1313071278.db2.gz LZMKMRXVJJAJQM-IBGZPJMESA-N 2 0 341.499 2.909 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001204056270 1313073606 /nfs/dbraw/zinc/07/36/06/1313073606.db2.gz FTPRXYNLRYVJAF-UHFFFAOYSA-N 2 0 327.900 2.586 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2CCCCCC2)c1 ZINC000303780966 1294580177 /nfs/dbraw/zinc/58/01/77/1294580177.db2.gz LUJBGOFPANIHFW-UHFFFAOYSA-N 2 0 334.464 2.697 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCSc1ccc(Cl)cc1 ZINC000303785415 1294581290 /nfs/dbraw/zinc/58/12/90/1294581290.db2.gz QHODZOMODZRLSU-AWEZNQCLSA-N 2 0 340.924 2.821 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(-c2ccccc2)n1 ZINC000303790410 1294581363 /nfs/dbraw/zinc/58/13/63/1294581363.db2.gz WGJCCOSPORSXGT-INIZCTEOSA-N 2 0 343.500 2.699 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccc(Cl)cc1 ZINC000303785416 1294582181 /nfs/dbraw/zinc/58/21/81/1294582181.db2.gz QHODZOMODZRLSU-CQSZACIVSA-N 2 0 340.924 2.821 20 30 EFEDRP CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000303793053 1294583034 /nfs/dbraw/zinc/58/30/34/1294583034.db2.gz YWNVVEMRZBNAPO-UHFFFAOYSA-N 2 0 346.475 2.839 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000303864493 1294591410 /nfs/dbraw/zinc/59/14/10/1294591410.db2.gz AZJBEQWBOFEFRO-IFXJQAMLSA-N 2 0 348.491 2.941 20 30 EFEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NCCC(C)C)CC2)cc1 ZINC000303865005 1294591526 /nfs/dbraw/zinc/59/15/26/1294591526.db2.gz BLYZZMNSNBJTMS-UHFFFAOYSA-N 2 0 346.519 2.858 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000303864495 1294591741 /nfs/dbraw/zinc/59/17/41/1294591741.db2.gz AZJBEQWBOFEFRO-KUHUBIRLSA-N 2 0 348.491 2.941 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000303873621 1294592947 /nfs/dbraw/zinc/59/29/47/1294592947.db2.gz CPVWJBKXYCOCBI-QGZVFWFLSA-N 2 0 345.535 2.954 20 30 EFEDRP COc1cccc(NC(=[NH2+])NCc2ccccc2OCC[NH+](C)C)c1 ZINC000303888858 1294597528 /nfs/dbraw/zinc/59/75/28/1294597528.db2.gz PFNXVXGCLRKUKD-UHFFFAOYSA-N 2 0 342.443 2.562 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303881940 1294598145 /nfs/dbraw/zinc/59/81/45/1294598145.db2.gz HYBQWMZISHJDAB-KGLIPLIRSA-N 2 0 334.464 2.551 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303881947 1294598213 /nfs/dbraw/zinc/59/82/13/1294598213.db2.gz HYBQWMZISHJDAB-ZIAGYGMSSA-N 2 0 334.464 2.551 20 30 EFEDRP CC[NH+]1CCN(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000303896631 1294599498 /nfs/dbraw/zinc/59/94/98/1294599498.db2.gz QBDDGFIHJMXZEQ-UHFFFAOYSA-N 2 0 343.519 2.578 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000303973800 1294613936 /nfs/dbraw/zinc/61/39/36/1294613936.db2.gz HGJWEXAHXRUBCZ-QGZVFWFLSA-N 2 0 345.535 2.954 20 30 EFEDRP C=CCCCCC[N@H+]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001197818151 1294748841 /nfs/dbraw/zinc/74/88/41/1294748841.db2.gz XLLGTFHFHYVVEZ-UHFFFAOYSA-N 2 0 332.492 2.968 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617640 1295139020 /nfs/dbraw/zinc/13/90/20/1295139020.db2.gz PRLMEBJQTUSACJ-MSOLQXFVSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1OC ZINC001198759976 1295237908 /nfs/dbraw/zinc/23/79/08/1295237908.db2.gz OFJILMOQRPPJTH-SFHVURJKSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198776421 1295246937 /nfs/dbraw/zinc/24/69/37/1295246937.db2.gz QYGGMQOITCPOEC-ZWKOTPCHSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198776420 1295247756 /nfs/dbraw/zinc/24/77/56/1295247756.db2.gz QYGGMQOITCPOEC-QZTJIDSGSA-N 2 0 347.503 2.749 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885630 1295318648 /nfs/dbraw/zinc/31/86/48/1295318648.db2.gz MXROTOYZWWTZOH-PKOBYXMFSA-N 2 0 347.503 2.604 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676051 1313169871 /nfs/dbraw/zinc/16/98/71/1313169871.db2.gz KNLABDUNOUJIRY-SJORKVTESA-N 2 0 331.460 2.596 20 30 EFEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)[NH+](C)C ZINC000104161088 1295731871 /nfs/dbraw/zinc/73/18/71/1295731871.db2.gz LTLZCNZFVQDFJW-MRXNPFEDSA-N 2 0 336.480 2.797 20 30 EFEDRP CCc1nc(CN2CCC(CNC(=[NH2+])NCC3CCC3)CC2)cs1 ZINC000304745917 1295748166 /nfs/dbraw/zinc/74/81/66/1295748166.db2.gz FJJPIJPOSKAALY-UHFFFAOYSA-N 2 0 349.548 2.622 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000304746193 1295748968 /nfs/dbraw/zinc/74/89/68/1295748968.db2.gz FRZIFHASLWYFSP-AWEZNQCLSA-N 2 0 334.464 2.552 20 30 EFEDRP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1ccccc1C ZINC000304757002 1295750402 /nfs/dbraw/zinc/75/04/02/1295750402.db2.gz OIYOUFHNOMBZFV-DLBZAZTESA-N 2 0 332.492 2.541 20 30 EFEDRP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1ccccc1C ZINC000304757008 1295751533 /nfs/dbraw/zinc/75/15/33/1295751533.db2.gz OIYOUFHNOMBZFV-SJORKVTESA-N 2 0 332.492 2.541 20 30 EFEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1c(CC)cccc1CC ZINC000304837684 1295760308 /nfs/dbraw/zinc/76/03/08/1295760308.db2.gz OKYXJGWYPOVLFB-KRWDZBQOSA-N 2 0 334.508 2.895 20 30 EFEDRP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)C12CCCCC2 ZINC000304805967 1295760950 /nfs/dbraw/zinc/76/09/50/1295760950.db2.gz RSTXQOBAWYGTNO-BRWVUGGUSA-N 2 0 336.524 2.503 20 30 EFEDRP COCCC[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274939868 1296216203 /nfs/dbraw/zinc/21/62/03/1296216203.db2.gz RYUPJZVZJWOSRN-UHFFFAOYSA-N 2 0 344.503 2.611 20 30 EFEDRP CCCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275132071 1296234835 /nfs/dbraw/zinc/23/48/35/1296234835.db2.gz NKIKFSIBAUONKM-ROUUACIJSA-N 2 0 335.536 2.879 20 30 EFEDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205229239 1313255124 /nfs/dbraw/zinc/25/51/24/1313255124.db2.gz MTGGCXYVBWVDBF-FQEVSTJZSA-N 2 0 340.492 2.824 20 30 EFEDRP COC(C)(C)CC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276026808 1296491119 /nfs/dbraw/zinc/49/11/19/1296491119.db2.gz MVUIDFMGCTXLKM-UHFFFAOYSA-N 2 0 344.503 2.610 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001205291522 1313265506 /nfs/dbraw/zinc/26/55/06/1313265506.db2.gz WZRPSUSQXADSMV-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205429802 1313287132 /nfs/dbraw/zinc/28/71/32/1313287132.db2.gz ZSENWSSCWOCEAX-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000960301597 1296718868 /nfs/dbraw/zinc/71/88/68/1296718868.db2.gz XUJYDEXRFBMAON-DFQSSKMNSA-N 2 0 341.499 2.666 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000960301599 1296719545 /nfs/dbraw/zinc/71/95/45/1296719545.db2.gz XUJYDEXRFBMAON-MISYRCLQSA-N 2 0 341.499 2.666 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518885 1313304114 /nfs/dbraw/zinc/30/41/14/1313304114.db2.gz NYSNSOKUARSJME-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518883 1313304121 /nfs/dbraw/zinc/30/41/21/1313304121.db2.gz NYSNSOKUARSJME-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1ccc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205571599 1313314696 /nfs/dbraw/zinc/31/46/96/1313314696.db2.gz VUXPDIOLHCYEFB-OAHLLOKOSA-N 2 0 340.240 2.974 20 30 EFEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429084 1313319316 /nfs/dbraw/zinc/31/93/16/1313319316.db2.gz WVWRSAHKUBBXLB-MOPGFXCFSA-N 2 0 342.483 2.919 20 30 EFEDRP C#CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC001235429086 1313319423 /nfs/dbraw/zinc/31/94/23/1313319423.db2.gz WVWRSAHKUBBXLB-RBUKOAKNSA-N 2 0 342.483 2.919 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594233 1313319997 /nfs/dbraw/zinc/31/99/97/1313319997.db2.gz MQAFVBPJQKFPRY-KRWDZBQOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205624728 1313325318 /nfs/dbraw/zinc/32/53/18/1313325318.db2.gz ITMXGZULBRTWLV-UHFFFAOYSA-N 2 0 326.444 2.742 20 30 EFEDRP Cc1cc(C#N)c(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1F ZINC001201671997 1296984575 /nfs/dbraw/zinc/98/45/75/1296984575.db2.gz GYKAYRSBNPHVTN-UHFFFAOYSA-N 2 0 325.391 2.896 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205654283 1313331686 /nfs/dbraw/zinc/33/16/86/1313331686.db2.gz ZWCHRGSKGRHHLP-UHOSZYNNSA-N 2 0 347.478 2.626 20 30 EFEDRP N#CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277947970 1313333065 /nfs/dbraw/zinc/33/30/65/1313333065.db2.gz CHWNASOKZJPDIZ-CALCHBBNSA-N 2 0 328.460 2.625 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793772 1297081616 /nfs/dbraw/zinc/08/16/16/1297081616.db2.gz LNHZCTNSLCIJRH-APWZRJJASA-N 2 0 333.520 2.796 20 30 EFEDRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCCCC#N)CC3)n(C)n1 ZINC001277951174 1313343374 /nfs/dbraw/zinc/34/33/74/1313343374.db2.gz GBBCKCLLSIBEOW-UHFFFAOYSA-N 2 0 329.492 2.710 20 30 EFEDRP N#CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001277951466 1313344509 /nfs/dbraw/zinc/34/45/09/1313344509.db2.gz KAMKHDNAANKGAD-LJQANCHMSA-N 2 0 329.492 2.755 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205751468 1313349901 /nfs/dbraw/zinc/34/99/01/1313349901.db2.gz DOQVSRYFIJGAON-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835216 1313364438 /nfs/dbraw/zinc/36/44/38/1313364438.db2.gz GZYAILORYIFBPE-VAMGGRTRSA-N 2 0 345.531 2.730 20 30 EFEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206022852 1313392673 /nfs/dbraw/zinc/39/26/73/1313392673.db2.gz KQNJQJZXVBROPA-HXUWFJFHSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206067816 1313400215 /nfs/dbraw/zinc/40/02/15/1313400215.db2.gz KGKKGBLRCVBIMB-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2Cl)CC1 ZINC000305640163 1297607964 /nfs/dbraw/zinc/60/79/64/1297607964.db2.gz BAZAHDMORLXMTH-AWEZNQCLSA-N 2 0 334.895 2.760 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206282561 1313431226 /nfs/dbraw/zinc/43/12/26/1313431226.db2.gz VJCCYPBRQYGCCL-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236073410 1313437913 /nfs/dbraw/zinc/43/79/13/1313437913.db2.gz MTSZLLGAMCHEBK-HSZRJFAPSA-N 2 0 345.490 2.694 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206488684 1313463113 /nfs/dbraw/zinc/46/31/13/1313463113.db2.gz XDIXOWOJSZCXRD-KRWDZBQOSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006435821 1298059741 /nfs/dbraw/zinc/05/97/41/1298059741.db2.gz SHSLJLFBMAVNQN-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP CCCCCCC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236398351 1313476375 /nfs/dbraw/zinc/47/63/75/1313476375.db2.gz FXAFDEWMLCJROF-UHFFFAOYSA-N 2 0 325.541 2.591 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189205 1298274981 /nfs/dbraw/zinc/27/49/81/1298274981.db2.gz YKLNGVGRVNAGRF-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199438 1298304416 /nfs/dbraw/zinc/30/44/16/1298304416.db2.gz KJTIRDQKMQSPHZ-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926413 1313495905 /nfs/dbraw/zinc/49/59/05/1313495905.db2.gz OVXDKVVVIMPRJF-QZTJIDSGSA-N 2 0 345.487 2.986 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001049926411 1313496088 /nfs/dbraw/zinc/49/60/88/1313496088.db2.gz OVXDKVVVIMPRJF-MSOLQXFVSA-N 2 0 345.487 2.986 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230156 1298372342 /nfs/dbraw/zinc/37/23/42/1298372342.db2.gz KPDZTPLTQAFKIB-MOPGFXCFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252444 1298423132 /nfs/dbraw/zinc/42/31/32/1298423132.db2.gz OEBCNLSFENMROB-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276841 1298474384 /nfs/dbraw/zinc/47/43/84/1298474384.db2.gz WPOAAIQHSMJXLN-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292544 1298509904 /nfs/dbraw/zinc/50/99/04/1298509904.db2.gz JREYCVPJCRQVRN-WOJBJXKFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767136 1313518474 /nfs/dbraw/zinc/51/84/74/1313518474.db2.gz IEUQASGQWXAVEA-KDURUIRLSA-N 2 0 341.499 2.656 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001206865343 1313528270 /nfs/dbraw/zinc/52/82/70/1313528270.db2.gz LBAVSYOLTDKJBL-UHFFFAOYSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961372907 1298635464 /nfs/dbraw/zinc/63/54/64/1298635464.db2.gz FABTYHWPJJKRQP-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961374333 1298641775 /nfs/dbraw/zinc/64/17/75/1298641775.db2.gz LBQYYVMIHLFETA-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376762 1298647521 /nfs/dbraw/zinc/64/75/21/1298647521.db2.gz CPHUTOHHBVVGGB-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874960 1313532944 /nfs/dbraw/zinc/53/29/44/1313532944.db2.gz PVPNZIFAXWAAEG-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961401305 1298691994 /nfs/dbraw/zinc/69/19/94/1298691994.db2.gz DGNCXROFHYYTBI-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961402978 1298695660 /nfs/dbraw/zinc/69/56/60/1298695660.db2.gz STGQXICLOKJEDI-RBUKOAKNSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410267 1298704632 /nfs/dbraw/zinc/70/46/32/1298704632.db2.gz GETUKGRGCDMLRT-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410831 1298706212 /nfs/dbraw/zinc/70/62/12/1298706212.db2.gz JSUUZIVIBWVNPX-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961439239 1298748590 /nfs/dbraw/zinc/74/85/90/1298748590.db2.gz GLPASNVTSGNJMW-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP CCc1cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278037039 1313566908 /nfs/dbraw/zinc/56/69/08/1313566908.db2.gz JTONZNGXXLYFPY-UHFFFAOYSA-N 2 0 340.515 2.580 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+][C@@H](C)CCC=C)CC2)CC1 ZINC001206949087 1313567189 /nfs/dbraw/zinc/56/71/89/1313567189.db2.gz PMEDEPDTAADEAC-SFHVURJKSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952194 1313568405 /nfs/dbraw/zinc/56/84/05/1313568405.db2.gz COCRVFXPMBSVKI-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001206967179 1313574454 /nfs/dbraw/zinc/57/44/54/1313574454.db2.gz KYXJTFGUICVJJH-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980217 1313579950 /nfs/dbraw/zinc/57/99/50/1313579950.db2.gz LLGJOBZNYKKTPO-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017950319 1313609891 /nfs/dbraw/zinc/60/98/91/1313609891.db2.gz RJKNAJDRHFLFBN-BGYRXZFFSA-N 2 0 341.499 2.656 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1 ZINC001207276465 1313649689 /nfs/dbraw/zinc/64/96/89/1313649689.db2.gz XEVGKKGTCUDMRP-IBGZPJMESA-N 2 0 337.508 2.685 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962969909 1300241604 /nfs/dbraw/zinc/24/16/04/1300241604.db2.gz FZQFBSJPWBQFJT-DZFIZOCASA-N 2 0 345.487 2.748 20 30 EFEDRP C=CCOCc1ncn2c1C[N@H+](CCC1CC[NH+](C)CC1)CCC2 ZINC001207481763 1313696705 /nfs/dbraw/zinc/69/67/05/1313696705.db2.gz OHUWDINBRRNLMD-UHFFFAOYSA-N 2 0 332.492 2.523 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314264 1300576476 /nfs/dbraw/zinc/57/64/76/1300576476.db2.gz KGHMRRFEPKNNSM-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329497 1300616589 /nfs/dbraw/zinc/61/65/89/1300616589.db2.gz ZMUARLDFDQSAOS-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000963337629 1300634904 /nfs/dbraw/zinc/63/49/04/1300634904.db2.gz CVRABZKGYMHKFP-SJJHQCBESA-N 2 0 341.927 2.828 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358195 1300680004 /nfs/dbraw/zinc/68/00/04/1300680004.db2.gz PCWNOXWQOREOTR-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358273 1300680479 /nfs/dbraw/zinc/68/04/79/1300680479.db2.gz QCBHWUQWEMQUOM-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358202 1300680914 /nfs/dbraw/zinc/68/09/14/1300680914.db2.gz PJMJBNAILBKPTD-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363869 1300693215 /nfs/dbraw/zinc/69/32/15/1300693215.db2.gz AETZGFZMDRHNFS-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389810 1300751383 /nfs/dbraw/zinc/75/13/83/1300751383.db2.gz GUNOABFWFDVJNO-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000963421295 1300818119 /nfs/dbraw/zinc/81/81/19/1300818119.db2.gz PTUUWLHQGLPOCF-LMDPOFIKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000963421297 1300818316 /nfs/dbraw/zinc/81/83/16/1300818316.db2.gz PTUUWLHQGLPOCF-VIQWUECVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000963563306 1301062600 /nfs/dbraw/zinc/06/26/00/1301062600.db2.gz INRPJGSUGQKHAU-GPANFISMSA-N 2 0 327.900 2.582 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207652624 1313741456 /nfs/dbraw/zinc/74/14/56/1313741456.db2.gz CDFMWPPKONTCDI-KURKYZTESA-N 2 0 325.541 2.980 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000964030222 1301625428 /nfs/dbraw/zinc/62/54/28/1301625428.db2.gz HWFSJPZZQKXQCO-SWPKYLGISA-N 2 0 331.504 2.596 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000964030219 1301625483 /nfs/dbraw/zinc/62/54/83/1301625483.db2.gz HWFSJPZZQKXQCO-BMTWLGCMSA-N 2 0 331.504 2.596 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CCCCF)C[C@H]3CC2)cc1C#N ZINC001278205996 1313787368 /nfs/dbraw/zinc/78/73/68/1313787368.db2.gz VDRRMWDHXCZQQX-HDICACEKSA-N 2 0 332.467 2.790 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858858 1313790091 /nfs/dbraw/zinc/79/00/91/1313790091.db2.gz AOBCFUHTAGYYTE-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018309972 1313805500 /nfs/dbraw/zinc/80/55/00/1313805500.db2.gz CLMLEHFNEKDCJH-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018303805 1313802494 /nfs/dbraw/zinc/80/24/94/1313802494.db2.gz BNKJHEKWZFKROM-KDURUIRLSA-N 2 0 327.472 2.613 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001202509709 1302658687 /nfs/dbraw/zinc/65/86/87/1302658687.db2.gz FAZFJSMCJYRAAR-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000119999770 1302883446 /nfs/dbraw/zinc/88/34/46/1302883446.db2.gz ZJBVENWTXUHRHH-QGZVFWFLSA-N 2 0 331.460 2.809 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619334 1303041636 /nfs/dbraw/zinc/04/16/36/1303041636.db2.gz UQMLODMHKTYRIW-PIIMJCKOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000965850095 1303357251 /nfs/dbraw/zinc/35/72/51/1303357251.db2.gz KZQPAYPVLZNPMX-UHFFFAOYSA-N 2 0 348.878 2.531 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000965928547 1303459221 /nfs/dbraw/zinc/45/92/21/1303459221.db2.gz CQMTWZPFZGJCRD-UHFFFAOYSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[N@H+](C)CCC[NH3+])c1 ZINC001239231800 1313917670 /nfs/dbraw/zinc/91/76/70/1313917670.db2.gz RTGMCAHBSCEFJN-UHFFFAOYSA-N 2 0 346.519 2.925 20 30 EFEDRP CCCCCCCCCNC(=S)NCCC[NH2+]CCCC[NH3+] ZINC001239395723 1313932518 /nfs/dbraw/zinc/93/25/18/1313932518.db2.gz QVHUYQMMOQIQOF-UHFFFAOYSA-N 2 0 330.586 2.920 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463168 1313935321 /nfs/dbraw/zinc/93/53/21/1313935321.db2.gz LPAAMGNXAVCNDJ-MSOLQXFVSA-N 2 0 344.503 2.843 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491992 1313942957 /nfs/dbraw/zinc/94/29/57/1313942957.db2.gz QRNJLPMDTSRBMJ-GOSISDBHSA-N 2 0 333.520 2.942 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497474 1313944054 /nfs/dbraw/zinc/94/40/54/1313944054.db2.gz BEGJZCCHQJTNTH-DOTOQJQBSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001037868839 1303890182 /nfs/dbraw/zinc/89/01/82/1303890182.db2.gz OSMGGGUNCLCZEL-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC001037878313 1304064891 /nfs/dbraw/zinc/06/48/91/1304064891.db2.gz XUFNDTMYKCIDGH-CRAIPNDOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC ZINC001037887452 1304254682 /nfs/dbraw/zinc/25/46/82/1304254682.db2.gz FAFMKPZSOMTEMF-RHSMWYFYSA-N 2 0 346.862 2.917 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114422789 1304305487 /nfs/dbraw/zinc/30/54/87/1304305487.db2.gz IIJHPYQULAWTCL-XSYGEPLQSA-N 2 0 335.536 2.878 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114425175 1304345539 /nfs/dbraw/zinc/34/55/39/1304345539.db2.gz AOXBHKJFUFUVMX-PNYFIKQUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208619584 1313982692 /nfs/dbraw/zinc/98/26/92/1313982692.db2.gz GQDLXJYVQVMUNV-GPMSIDNRSA-N 2 0 339.499 2.602 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001208619589 1313983286 /nfs/dbraw/zinc/98/32/86/1313983286.db2.gz GQDLXJYVQVMUNV-MDZRGWNJSA-N 2 0 339.499 2.602 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967093069 1304657664 /nfs/dbraw/zinc/65/76/64/1304657664.db2.gz YGZOEAXSNJGKAF-KSSFIOAISA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001208722189 1314002617 /nfs/dbraw/zinc/00/26/17/1314002617.db2.gz PZUKSFAGTDMJDX-BRSBDYLESA-N 2 0 344.503 2.707 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1CC ZINC001037923966 1304763635 /nfs/dbraw/zinc/76/36/35/1304763635.db2.gz HFRUSSHVBNEUHK-AZUAARDMSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374949 1314487064 /nfs/dbraw/zinc/48/70/64/1314487064.db2.gz UJRAGYQPEFXQNU-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC001037949293 1305203272 /nfs/dbraw/zinc/20/32/72/1305203272.db2.gz LZBZAXHSVAGPTJ-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP Cn1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc1C#N ZINC001276608386 1314071207 /nfs/dbraw/zinc/07/12/07/1314071207.db2.gz NQXDMQPJBZGTGU-UHFFFAOYSA-N 2 0 334.467 2.876 20 30 EFEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1CC ZINC001037991889 1305673849 /nfs/dbraw/zinc/67/38/49/1305673849.db2.gz RAKYXDOBHNDUFU-FUHWJXTLSA-N 2 0 345.487 2.585 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CCCC[NH2+]C1 ZINC001245976344 1314557507 /nfs/dbraw/zinc/55/75/07/1314557507.db2.gz SAZJZFZACHNMAD-OALUTQOASA-N 2 0 328.541 2.972 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326774 1306135923 /nfs/dbraw/zinc/13/59/23/1306135923.db2.gz IUHWRRVCTUMYQH-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326777 1306136587 /nfs/dbraw/zinc/13/65/87/1306136587.db2.gz IUHWRRVCTUMYQH-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327805 1306137314 /nfs/dbraw/zinc/13/73/14/1306137314.db2.gz SJMIWHVUKPYYTG-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419533 1306289346 /nfs/dbraw/zinc/28/93/46/1306289346.db2.gz USGQTWFCRBUGML-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496928 1306400536 /nfs/dbraw/zinc/40/05/36/1306400536.db2.gz FJODTGNLDYDFOU-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579917 1314131849 /nfs/dbraw/zinc/13/18/49/1314131849.db2.gz KPWACPMUAIRLIS-AKHDSKFASA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097581084 1314132595 /nfs/dbraw/zinc/13/25/95/1314132595.db2.gz ONDMMDDVWXAIBL-RLLQIKCJSA-N 2 0 341.499 2.702 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672415 1306555113 /nfs/dbraw/zinc/55/51/13/1306555113.db2.gz CGRYDEKLAWNGQR-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C)CC1 ZINC000968683222 1306564970 /nfs/dbraw/zinc/56/49/70/1306564970.db2.gz ZVMWQJSLRWPNBL-PKOBYXMFSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001044661068 1306698144 /nfs/dbraw/zinc/69/81/44/1306698144.db2.gz VNIMYQWVZOIHJQ-GOEBONIOSA-N 2 0 326.444 2.802 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860054 1306730963 /nfs/dbraw/zinc/73/09/63/1306730963.db2.gz XIQTVVMCMGRPHG-QUCCMNQESA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859851 1306731110 /nfs/dbraw/zinc/73/11/10/1306731110.db2.gz SAYYTTDERZYHIE-QGZVFWFLSA-N 2 0 326.444 2.803 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000968860053 1306731239 /nfs/dbraw/zinc/73/12/39/1306731239.db2.gz XIQTVVMCMGRPHG-ICSRJNTNSA-N 2 0 345.531 2.635 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001209351278 1314145311 /nfs/dbraw/zinc/14/53/11/1314145311.db2.gz OHWPNJHUUJECRT-JFIYKMOQSA-N 2 0 334.508 2.995 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC000968887535 1306760911 /nfs/dbraw/zinc/76/09/11/1306760911.db2.gz HFRPOQLPCUKHOY-SJORKVTESA-N 2 0 330.476 2.697 20 30 EFEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887861 1306761136 /nfs/dbraw/zinc/76/11/36/1306761136.db2.gz NZPRWNGKMXDYBL-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888744 1306763557 /nfs/dbraw/zinc/76/35/57/1306763557.db2.gz ZACCGSLFZFAIBH-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC000968965124 1306842516 /nfs/dbraw/zinc/84/25/16/1306842516.db2.gz GSLGWXJIUBGJHR-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044872075 1306882773 /nfs/dbraw/zinc/88/27/73/1306882773.db2.gz NPHGXNHOTKJOSN-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044872073 1306882781 /nfs/dbraw/zinc/88/27/81/1306882781.db2.gz NPHGXNHOTKJOSN-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044872077 1306882788 /nfs/dbraw/zinc/88/27/88/1306882788.db2.gz NPHGXNHOTKJOSN-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072545 1306945924 /nfs/dbraw/zinc/94/59/24/1306945924.db2.gz KWVXHQZLKAIROB-HXUWFJFHSA-N 2 0 341.499 2.746 20 30 EFEDRP C=CCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001209437192 1314163556 /nfs/dbraw/zinc/16/35/56/1314163556.db2.gz IASQZVLAYCGPMN-QYZOEREBSA-N 2 0 331.508 2.809 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209448347 1314164308 /nfs/dbraw/zinc/16/43/08/1314164308.db2.gz PCIAQEFXQQFGCA-HXUWFJFHSA-N 2 0 349.519 2.973 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209451485 1314165414 /nfs/dbraw/zinc/16/54/14/1314165414.db2.gz XVAKZIFWUYYSPZ-HXUWFJFHSA-N 2 0 333.520 2.896 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478319 1314171135 /nfs/dbraw/zinc/17/11/35/1314171135.db2.gz TWOBOMJGGZTGEN-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441987 1307341627 /nfs/dbraw/zinc/34/16/27/1307341627.db2.gz OUPZKOFDNTYYAL-GOSISDBHSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045505334 1307388220 /nfs/dbraw/zinc/38/82/20/1307388220.db2.gz ZYXCNZWNCBMBCC-UHFFFAOYSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001045556622 1307427321 /nfs/dbraw/zinc/42/73/21/1307427321.db2.gz HTQZCEXITQORFF-QGZVFWFLSA-N 2 0 344.503 2.691 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045936166 1307935092 /nfs/dbraw/zinc/93/50/92/1307935092.db2.gz BCESGCGYDCTYII-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045942448 1307954036 /nfs/dbraw/zinc/95/40/36/1307954036.db2.gz XPVSFPCBQHZTDL-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045942466 1307954286 /nfs/dbraw/zinc/95/42/86/1307954286.db2.gz YBKAMRIFOSZTKM-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045942914 1307955572 /nfs/dbraw/zinc/95/55/72/1307955572.db2.gz CVMQYSVYTPMLMX-FPOVZHCZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045942916 1307955728 /nfs/dbraw/zinc/95/57/28/1307955728.db2.gz CVMQYSVYTPMLMX-PZJWPPBQSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008278203 1307956082 /nfs/dbraw/zinc/95/60/82/1307956082.db2.gz VZSHXZFSZAVFCT-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943061 1307956578 /nfs/dbraw/zinc/95/65/78/1307956578.db2.gz FVNCWNCWQVERRN-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943455 1307956715 /nfs/dbraw/zinc/95/67/15/1307956715.db2.gz IQOUDKCNADILSB-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943739 1307959109 /nfs/dbraw/zinc/95/91/09/1307959109.db2.gz NSZWSOQDIPHSRA-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943741 1307959137 /nfs/dbraw/zinc/95/91/37/1307959137.db2.gz NSZWSOQDIPHSRA-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943769 1307959289 /nfs/dbraw/zinc/95/92/89/1307959289.db2.gz OMPGSOWQNVEXPB-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945510 1307964802 /nfs/dbraw/zinc/96/48/02/1307964802.db2.gz UMFABIQPQPQDFC-AZUAARDMSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945722 1307965688 /nfs/dbraw/zinc/96/56/88/1307965688.db2.gz YDUZJHGHHOSHRA-AZUAARDMSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953327 1307987765 /nfs/dbraw/zinc/98/77/65/1307987765.db2.gz YENGFOLUWHUPGM-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045962133 1308011891 /nfs/dbraw/zinc/01/18/91/1308011891.db2.gz XQGIHFHHXSIXOC-IRFCIJBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045973857 1308044141 /nfs/dbraw/zinc/04/41/41/1308044141.db2.gz VZPLZPAEMFHEKM-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979401 1308062878 /nfs/dbraw/zinc/06/28/78/1308062878.db2.gz DCBZPKLCPLPENZ-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982083 1308074548 /nfs/dbraw/zinc/07/45/48/1308074548.db2.gz NOAPPZQHCQPFHW-FQEVSTJZSA-N 2 0 344.503 2.633 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510438 1308125740 /nfs/dbraw/zinc/12/57/40/1308125740.db2.gz PXKAXBZRFSVHQQ-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319511 1308536715 /nfs/dbraw/zinc/53/67/15/1308536715.db2.gz SZKRGCFDNMSOAB-XLIONFOSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680175 1308605927 /nfs/dbraw/zinc/60/59/27/1308605927.db2.gz FUEOFBOKTASAKA-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179031 1314292607 /nfs/dbraw/zinc/29/26/07/1314292607.db2.gz GHICJUQXMCJBDM-FUHIMQAGSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707364 1309146643 /nfs/dbraw/zinc/14/66/43/1309146643.db2.gz SEWSBGYUTSXLAK-HXUWFJFHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701375 1314310720 /nfs/dbraw/zinc/31/07/20/1314310720.db2.gz FCLQZHFENHKVEX-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C[NH+](C)CCOc1cccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)c1 ZINC001243746967 1314319305 /nfs/dbraw/zinc/31/93/05/1314319305.db2.gz ZZUPZNVCHNZKSN-UHFFFAOYSA-N 2 0 336.439 2.596 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046934286 1309711695 /nfs/dbraw/zinc/71/16/95/1309711695.db2.gz AAPKGUNOCGKUCY-JKSUJKDBSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593901 1314357600 /nfs/dbraw/zinc/35/76/00/1314357600.db2.gz HFWDCMPQUDWNBW-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593917 1314357694 /nfs/dbraw/zinc/35/76/94/1314357694.db2.gz HQTFPAQUIZGLAW-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210633431 1314364513 /nfs/dbraw/zinc/36/45/13/1314364513.db2.gz CAPKOFKERMNXTR-OALUTQOASA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210646268 1314366123 /nfs/dbraw/zinc/36/61/23/1314366123.db2.gz WJJYQOMYYBZJNJ-RTBURBONSA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231810 1310368621 /nfs/dbraw/zinc/36/86/21/1310368621.db2.gz QDLTWGSVLLXLGU-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047242024 1310393324 /nfs/dbraw/zinc/39/33/24/1310393324.db2.gz AJTWHDJQAGBCFO-PMACEKPBSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047243300 1310397099 /nfs/dbraw/zinc/39/70/99/1310397099.db2.gz JXLSHYCXLZGQEW-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047244450 1310400168 /nfs/dbraw/zinc/40/01/68/1310400168.db2.gz RWKGZCZYNPKRTN-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176091 1310485519 /nfs/dbraw/zinc/48/55/19/1310485519.db2.gz SFUOBHMXCHFIAG-QYZOEREBSA-N 2 0 327.472 2.659 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664058 1311009400 /nfs/dbraw/zinc/00/94/00/1311009400.db2.gz CECKWYCBECTYGK-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221671547 1311010368 /nfs/dbraw/zinc/01/03/68/1311010368.db2.gz BIHPYDIIEKUIBG-KVSKMBFKSA-N 2 0 338.455 2.835 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848328 1311042396 /nfs/dbraw/zinc/04/23/96/1311042396.db2.gz KOKICTZYZVQMQH-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221848329 1311042924 /nfs/dbraw/zinc/04/29/24/1311042924.db2.gz KOKICTZYZVQMQH-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876814 1311046635 /nfs/dbraw/zinc/04/66/35/1311046635.db2.gz WDAOBFGLGVSMRM-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889923 1311049208 /nfs/dbraw/zinc/04/92/08/1311049208.db2.gz VMOAWDSCHCSVSB-IPMKNSEASA-N 2 0 333.520 2.606 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945204 1311058807 /nfs/dbraw/zinc/05/88/07/1311058807.db2.gz ISYJEJXHRDFBNP-GUDVDZBRSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001222071776 1311078569 /nfs/dbraw/zinc/07/85/69/1311078569.db2.gz COQBMSWCXNEQPQ-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258266 1311079850 /nfs/dbraw/zinc/07/98/50/1311079850.db2.gz PBULEYLOKLJKGG-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001099490166 1311097250 /nfs/dbraw/zinc/09/72/50/1311097250.db2.gz QMTCGESUFOEAQA-FFGOWVMKSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099526658 1311100620 /nfs/dbraw/zinc/10/06/20/1311100620.db2.gz AAFBRQIPCHMZDN-MUGJNUQGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099547362 1311101198 /nfs/dbraw/zinc/10/11/98/1311101198.db2.gz DLXXOOPAUWBPFN-MUGJNUQGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521349 1311146432 /nfs/dbraw/zinc/14/64/32/1311146432.db2.gz REPNOZXSMYAKJW-FQEVSTJZSA-N 2 0 333.520 2.705 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222921050 1311199184 /nfs/dbraw/zinc/19/91/84/1311199184.db2.gz CEDANSIWPLNAAZ-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001100854767 1311202770 /nfs/dbraw/zinc/20/27/70/1311202770.db2.gz AZWAWZYDFVMVKK-CNBHCMJISA-N 2 0 343.515 2.914 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223115522 1311220211 /nfs/dbraw/zinc/22/02/11/1311220211.db2.gz DFZQVUZWICUFEY-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223182177 1311227194 /nfs/dbraw/zinc/22/71/94/1311227194.db2.gz YOIWWLOVRLOFAA-HOJAQTOUSA-N 2 0 345.531 2.750 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@H]21 ZINC001223193726 1311228388 /nfs/dbraw/zinc/22/83/88/1311228388.db2.gz RWEBJDPHMAGBFK-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001223194861 1311229029 /nfs/dbraw/zinc/22/90/29/1311229029.db2.gz TYSONCWPIBMWPZ-MOPGFXCFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203455 1311230009 /nfs/dbraw/zinc/23/00/09/1311230009.db2.gz YMVBOEVOZYDODW-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203452 1311230051 /nfs/dbraw/zinc/23/00/51/1311230051.db2.gz YMVBOEVOZYDODW-APWZRJJASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC001101287698 1311231589 /nfs/dbraw/zinc/23/15/89/1311231589.db2.gz ZVRNGKGUDKWDOX-DYXWJJEUSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223250270 1311233156 /nfs/dbraw/zinc/23/31/56/1311233156.db2.gz WDQCJWXPYPKCLD-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001101551522 1311249110 /nfs/dbraw/zinc/24/91/10/1311249110.db2.gz ORJTWHILNVIWTB-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001276885419 1311252773 /nfs/dbraw/zinc/25/27/73/1311252773.db2.gz KVXVPIRKCXTVQB-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCC[NH+]1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001276887766 1311255418 /nfs/dbraw/zinc/25/54/18/1311255418.db2.gz NNEJUPUYWHZGLQ-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489453 1311267783 /nfs/dbraw/zinc/26/77/83/1311267783.db2.gz PNOAPEAVSGCYDJ-QYZOEREBSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521897 1311271754 /nfs/dbraw/zinc/27/17/54/1311271754.db2.gz HSBHQFJDMWQZKR-MSOLQXFVSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001223687893 1311291984 /nfs/dbraw/zinc/29/19/84/1311291984.db2.gz WKAPJAGUWYFJDT-UHFFFAOYSA-N 2 0 344.503 2.702 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189944 1311293346 /nfs/dbraw/zinc/29/33/46/1311293346.db2.gz JTCAEBNQBZLDRU-BHIYHBOVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223928544 1311322328 /nfs/dbraw/zinc/32/23/28/1311322328.db2.gz FROVYDLUUSNRAG-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130022 1311346472 /nfs/dbraw/zinc/34/64/72/1311346472.db2.gz LMOPQXRFNGEKGH-QYZOEREBSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224128926 1311346617 /nfs/dbraw/zinc/34/66/17/1311346617.db2.gz AEBPSCYHGHZOII-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546287 1311405333 /nfs/dbraw/zinc/40/53/33/1311405333.db2.gz JCIMQHZYXFKHHQ-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001224797289 1311436637 /nfs/dbraw/zinc/43/66/37/1311436637.db2.gz WRJKGCVJJFJPOY-HZPDHXFCSA-N 2 0 332.492 2.771 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001224797287 1311436685 /nfs/dbraw/zinc/43/66/85/1311436685.db2.gz WRJKGCVJJFJPOY-HOTGVXAUSA-N 2 0 332.492 2.771 20 30 EFEDRP C[N+](C)(C)C[C@@H](CC#N)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224829590 1311440394 /nfs/dbraw/zinc/44/03/94/1311440394.db2.gz LBAJRGPAWISFKX-VQTJNVASSA-N 2 0 330.496 2.904 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143069 1311481893 /nfs/dbraw/zinc/48/18/93/1311481893.db2.gz SPDCLYAUAXQWNL-NRFANRHFSA-N 2 0 343.515 2.868 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160130973 1311650083 /nfs/dbraw/zinc/65/00/83/1311650083.db2.gz AVBJWFYFKQZDBF-UXHICEINSA-N 2 0 345.531 2.965 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131022 1311650992 /nfs/dbraw/zinc/65/09/92/1311650992.db2.gz CYCPGXBQSYDKGN-WOJBJXKFSA-N 2 0 345.531 2.965 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352269 1311695514 /nfs/dbraw/zinc/69/55/14/1311695514.db2.gz FTAQBXLALZHDLB-LJQANCHMSA-N 2 0 333.520 2.679 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359848 1311696027 /nfs/dbraw/zinc/69/60/27/1311696027.db2.gz CRFOWNDAEITVGT-LJQANCHMSA-N 2 0 331.504 2.718 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399878 1311703290 /nfs/dbraw/zinc/70/32/90/1311703290.db2.gz FTBJOOFAJAOPJQ-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151221 1311714554 /nfs/dbraw/zinc/71/45/54/1311714554.db2.gz DQAJPOWGTSKZED-XLIONFOSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277152789 1311717575 /nfs/dbraw/zinc/71/75/75/1311717575.db2.gz VJZFUGIJFDGNQV-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767174 1311719913 /nfs/dbraw/zinc/71/99/13/1311719913.db2.gz SMJJRXAMXVJQIL-GUDVDZBRSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492311 1311721348 /nfs/dbraw/zinc/72/13/48/1311721348.db2.gz PPGONTJTJXIPHQ-UHFFFAOYSA-N 2 0 345.531 2.967 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499772 1311722966 /nfs/dbraw/zinc/72/29/66/1311722966.db2.gz ICMVVAQXJXVLCD-IEBWSBKVSA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787158 1311781385 /nfs/dbraw/zinc/78/13/85/1311781385.db2.gz JHBLKUWFBIJKNK-FQEVSTJZSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804977 1311785023 /nfs/dbraw/zinc/78/50/23/1311785023.db2.gz XGSCBJFNYHSJJT-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161007951 1311835167 /nfs/dbraw/zinc/83/51/67/1311835167.db2.gz IBOONCQNWPUUBG-HKUYNNGSSA-N 2 0 333.520 2.821 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001227727720 1311846587 /nfs/dbraw/zinc/84/65/87/1311846587.db2.gz HUMPUALPQARQBD-RTBURBONSA-N 2 0 333.520 2.681 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525171 1311861322 /nfs/dbraw/zinc/86/13/22/1311861322.db2.gz NYNGTUIXYXCSMN-FSGKZVOOSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048525940 1311861742 /nfs/dbraw/zinc/86/17/42/1311861742.db2.gz GSWSAEOJVZOFFZ-FCGDIQPGSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001048529350 1311867035 /nfs/dbraw/zinc/86/70/35/1311867035.db2.gz LQDXZBKZQZHFFT-XCDZQEORSA-N 2 0 333.520 2.652 20 30 EFEDRP CC#CCCCCCCCC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445057 1311891482 /nfs/dbraw/zinc/89/14/82/1311891482.db2.gz MSTRYRSCMWJXDX-IBGZPJMESA-N 2 0 335.536 2.883 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001228169498 1311910091 /nfs/dbraw/zinc/91/00/91/1311910091.db2.gz XLKINJCVLNMQOY-HNNXBMFYSA-N 2 0 326.444 2.883 20 30 EFEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001048572229 1311920170 /nfs/dbraw/zinc/92/01/70/1311920170.db2.gz COFMLYRVJYZNPR-IYWMVGAKSA-N 2 0 345.531 2.632 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001228265567 1311922283 /nfs/dbraw/zinc/92/22/83/1311922283.db2.gz CIUIXGWNRYZMNC-HNNXBMFYSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161695104 1311953518 /nfs/dbraw/zinc/95/35/18/1311953518.db2.gz VTRMFEKVRLYMSN-UHFFFAOYSA-N 2 0 345.531 2.823 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698713 1311953596 /nfs/dbraw/zinc/95/35/96/1311953596.db2.gz AQRCPJPWXGKLJC-IEBWSBKVSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704692 1311955721 /nfs/dbraw/zinc/95/57/21/1311955721.db2.gz GFAKQNKPXODZKM-MOPGFXCFSA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228558927 1311964856 /nfs/dbraw/zinc/96/48/56/1311964856.db2.gz IGRAQIUWORBVLK-BZUAXINKSA-N 2 0 329.916 2.876 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001161789805 1311973007 /nfs/dbraw/zinc/97/30/07/1311973007.db2.gz ARBHLDDJKUHGOT-NQIIRXRSSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879635 1311993508 /nfs/dbraw/zinc/99/35/08/1311993508.db2.gz RDPJGFOGAPKTLC-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161951993 1312011980 /nfs/dbraw/zinc/01/19/80/1312011980.db2.gz ABXNYKJKSAANDS-IBGZPJMESA-N 2 0 333.520 2.821 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952366 1312012708 /nfs/dbraw/zinc/01/27/08/1312012708.db2.gz HFTBFQYWOMZYDW-FQEVSTJZSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161994237 1312024337 /nfs/dbraw/zinc/02/43/37/1312024337.db2.gz VYOJONMVICMLEK-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H](C)CN2CC[NH2+]CC2)cc1 ZINC001162101671 1312048078 /nfs/dbraw/zinc/04/80/78/1312048078.db2.gz DIGPNTDPWUPBKI-PXNSSMCTSA-N 2 0 328.504 2.715 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001229193568 1312060166 /nfs/dbraw/zinc/06/01/66/1312060166.db2.gz LWLGQTSPFFVHMP-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP Cc1c(Cl)c(Cl)nc(NCCC[NH2+]CCCC[NH3+])c1C#N ZINC001162290061 1312081909 /nfs/dbraw/zinc/08/19/09/1312081909.db2.gz HDTKEAMFWMPWNO-UHFFFAOYSA-N 2 0 330.263 2.699 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717862 1312127496 /nfs/dbraw/zinc/12/74/96/1312127496.db2.gz ZEHNKXGYWLYRBL-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1 ZINC000902880461 1312175619 /nfs/dbraw/zinc/17/56/19/1312175619.db2.gz ITPZRZBGBMDGEK-ZCNNSNEGSA-N 2 0 327.472 2.977 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001162832360 1312186354 /nfs/dbraw/zinc/18/63/54/1312186354.db2.gz PMPCWZHHRLDARV-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162959856 1312212491 /nfs/dbraw/zinc/21/24/91/1312212491.db2.gz CONGGSAUDSVGJG-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982441 1312218464 /nfs/dbraw/zinc/21/84/64/1312218464.db2.gz HCTJVDCXMCWQAF-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001163006638 1312224318 /nfs/dbraw/zinc/22/43/18/1312224318.db2.gz HDOCLWMTKIVOKC-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001230360315 1312228893 /nfs/dbraw/zinc/22/88/93/1312228893.db2.gz WXUGEUQYKPVTBK-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592182 1312276554 /nfs/dbraw/zinc/27/65/54/1312276554.db2.gz UJTYNKBNUYTBNI-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592016 1312276657 /nfs/dbraw/zinc/27/66/57/1312276657.db2.gz POOHJIKUBZLJBR-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591850 1312276854 /nfs/dbraw/zinc/27/68/54/1312276854.db2.gz LLBJYQGWXLZEEK-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598690 1312279295 /nfs/dbraw/zinc/27/92/95/1312279295.db2.gz WXJVVZYICTYFNV-VQTJNVASSA-N 2 0 347.547 2.833 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230604870 1312280897 /nfs/dbraw/zinc/28/08/97/1312280897.db2.gz JZZNBLKHXBIBJY-LJQANCHMSA-N 2 0 347.547 2.691 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612883 1312284377 /nfs/dbraw/zinc/28/43/77/1312284377.db2.gz HQLBFPLSOLTUSE-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622247 1312287613 /nfs/dbraw/zinc/28/76/13/1312287613.db2.gz LWOPVFBCPNPHFM-FQEVSTJZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623408 1312288731 /nfs/dbraw/zinc/28/87/31/1312288731.db2.gz XFMJKSWKVCGBSU-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@@H](C)C1 ZINC001163358834 1312295451 /nfs/dbraw/zinc/29/54/51/1312295451.db2.gz YKCLWJBAWLXMEK-KSSFIOAISA-N 2 0 327.476 2.520 20 30 EFEDRP CC(C)[N@@H+]1CC[C@@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)[C@H](C)C1 ZINC001163358835 1312295574 /nfs/dbraw/zinc/29/55/74/1312295574.db2.gz YKCLWJBAWLXMEK-RDTXWAMCSA-N 2 0 327.476 2.520 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003277 1312348832 /nfs/dbraw/zinc/34/88/32/1312348832.db2.gz GGSGIRDFEXQDJB-NSHGMRRFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[N@@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871291 1312375702 /nfs/dbraw/zinc/37/57/02/1312375702.db2.gz AQHRXAVUIYBXBQ-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=C(C)CC[NH+](CCCNC(=O)C[N@@H+](C)CCC)Cc1cccnc1 ZINC001230905136 1312386509 /nfs/dbraw/zinc/38/65/09/1312386509.db2.gz BAQHFFHKSLOFTC-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=C(C)C[NH+](CCCNC(=O)CC[N@@H+](C)CCC)Cc1cccnc1 ZINC001230905223 1312386846 /nfs/dbraw/zinc/38/68/46/1312386846.db2.gz DPSQDBZGRVEABS-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094079 1312448584 /nfs/dbraw/zinc/44/85/84/1312448584.db2.gz DJHAFLUKAVSVEK-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165604 1312532741 /nfs/dbraw/zinc/53/27/41/1312532741.db2.gz VDJLDFLTLLZUMR-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165313909 1312607448 /nfs/dbraw/zinc/60/74/48/1312607448.db2.gz FARUKABGAJQIHK-IRXDYDNUSA-N 2 0 341.515 2.897 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165473232 1312635265 /nfs/dbraw/zinc/63/52/65/1312635265.db2.gz XZUINGLTRQJVIX-GOSISDBHSA-N 2 0 335.536 2.807 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052860879 1314428697 /nfs/dbraw/zinc/42/86/97/1314428697.db2.gz YYKOFOABLCVDPB-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001211307044 1314472791 /nfs/dbraw/zinc/47/27/91/1314472791.db2.gz MZUPYSSMHOTEER-PORCLINASA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052952416 1314511546 /nfs/dbraw/zinc/51/15/46/1314511546.db2.gz DLSMQUXJLQRFTE-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052955319 1314515943 /nfs/dbraw/zinc/51/59/43/1314515943.db2.gz CXKPWASYAVQZJX-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCCN1CC[NH2+]CC1 ZINC001245979078 1314558185 /nfs/dbraw/zinc/55/81/85/1314558185.db2.gz HMZAXGPCJIXQJH-LJQANCHMSA-N 2 0 327.557 2.763 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001245983144 1314559492 /nfs/dbraw/zinc/55/94/92/1314559492.db2.gz MXYXGYCMSOUKTK-IPMKNSEASA-N 2 0 328.541 2.828 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001245986709 1314559742 /nfs/dbraw/zinc/55/97/42/1314559742.db2.gz PYPNSWCWRIMBPR-AABGKKOBSA-N 2 0 339.568 2.761 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987464 1314560212 /nfs/dbraw/zinc/56/02/12/1314560212.db2.gz SCQGGDVIBCQQLM-MSOLQXFVSA-N 2 0 325.541 2.562 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001245991209 1314560734 /nfs/dbraw/zinc/56/07/34/1314560734.db2.gz UCUZFLMGZHHDMR-RTBURBONSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCC[C@@H](O)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001246057715 1314576672 /nfs/dbraw/zinc/57/66/72/1314576672.db2.gz GGIVCPMZTHJFIB-LJQANCHMSA-N 2 0 327.557 2.714 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213765212 1314600816 /nfs/dbraw/zinc/60/08/16/1314600816.db2.gz ZPSQEVAKGZLIIE-QZTJIDSGSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029932 1314602814 /nfs/dbraw/zinc/60/28/14/1314602814.db2.gz YLTOQVQBOVIGAO-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246306802 1314608608 /nfs/dbraw/zinc/60/86/08/1314608608.db2.gz YXPHDUJELVZZHE-MSOLQXFVSA-N 2 0 337.423 2.672 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045183 1314628780 /nfs/dbraw/zinc/62/87/80/1314628780.db2.gz XQULGEUSTLDNLJ-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045185 1314628964 /nfs/dbraw/zinc/62/89/64/1314628964.db2.gz XQULGEUSTLDNLJ-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C[C@H]1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442886 1314629633 /nfs/dbraw/zinc/62/96/33/1314629633.db2.gz QVALJSNHBRCWFH-MVJPYGJCSA-N 2 0 326.488 2.771 20 30 EFEDRP C[C@@H]1C[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443373 1314629810 /nfs/dbraw/zinc/62/98/10/1314629810.db2.gz SJMGWABCKWSIDV-HUYLIWGRSA-N 3 0 326.488 2.771 20 30 EFEDRP C[C@H]1C[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246443374 1314630196 /nfs/dbraw/zinc/63/01/96/1314630196.db2.gz SJMGWABCKWSIDV-KNTRFNDTSA-N 3 0 326.488 2.771 20 30 EFEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[C@@H](N)C(=O)OCc2ccccc2)C1 ZINC001246485851 1314635225 /nfs/dbraw/zinc/63/52/25/1314635225.db2.gz ORNWZGZMLJIJDM-FGTMMUONSA-N 2 0 329.444 2.509 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053049879 1314635355 /nfs/dbraw/zinc/63/53/55/1314635355.db2.gz ATIRLOFGQLXCRK-RBUKOAKNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050122 1314636684 /nfs/dbraw/zinc/63/66/84/1314636684.db2.gz COPCWOXXKKXQGB-WOJBJXKFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC001246527129 1314642033 /nfs/dbraw/zinc/64/20/33/1314642033.db2.gz SJMVDCRGZWWMSX-DLBZAZTESA-N 2 0 335.492 2.628 20 30 EFEDRP N#Cc1ccccc1N1CC[NH+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246532102 1314643315 /nfs/dbraw/zinc/64/33/15/1314643315.db2.gz XDPBDWJMTXPHHL-UHFFFAOYSA-N 2 0 338.499 2.993 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053950 1314643588 /nfs/dbraw/zinc/64/35/88/1314643588.db2.gz FNPIIUONXXGASF-UXHICEINSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001246669021 1314667387 /nfs/dbraw/zinc/66/73/87/1314667387.db2.gz SYGSYLANAWFCST-ABSDTBQOSA-N 2 0 334.504 2.986 20 30 EFEDRP CCCCCCC[C@H](CCC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246821137 1314689765 /nfs/dbraw/zinc/68/97/65/1314689765.db2.gz MAQFLWIVSHTWDH-IBGZPJMESA-N 2 0 326.573 2.600 20 30 EFEDRP CCCCCCC[C@H](CC(C)C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819073 1314689852 /nfs/dbraw/zinc/68/98/52/1314689852.db2.gz GDDHCPHHNQBSNN-HXUWFJFHSA-N 2 0 340.600 2.846 20 30 EFEDRP CCCCCCC[C@@H](CC(C)C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819072 1314690108 /nfs/dbraw/zinc/69/01/08/1314690108.db2.gz GDDHCPHHNQBSNN-FQEVSTJZSA-N 2 0 340.600 2.846 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087930 1314694900 /nfs/dbraw/zinc/69/49/00/1314694900.db2.gz PBZVUPUXRGIBLH-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087929 1314695279 /nfs/dbraw/zinc/69/52/79/1314695279.db2.gz PBZVUPUXRGIBLH-ICSRJNTNSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088197 1314695704 /nfs/dbraw/zinc/69/57/04/1314695704.db2.gz QUXBBDKTFUNPSD-UYAOXDASSA-N 2 0 345.531 2.587 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882511 1314702208 /nfs/dbraw/zinc/70/22/08/1314702208.db2.gz YUSSGIWNQLGAKU-YHYVQYDKSA-N 2 0 331.463 2.962 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096444 1314708368 /nfs/dbraw/zinc/70/83/68/1314708368.db2.gz UCLJREHLIOYTNI-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096445 1314708995 /nfs/dbraw/zinc/70/89/95/1314708995.db2.gz UCLJREHLIOYTNI-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636553 1314718466 /nfs/dbraw/zinc/71/84/66/1314718466.db2.gz LVTIFTTXKAQKKB-ZIFCJYIRSA-N 2 0 333.520 2.654 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648333 1314720003 /nfs/dbraw/zinc/72/00/03/1314720003.db2.gz IWMRDPMVYMGVDU-BHIYHBOVSA-N 2 0 335.536 2.735 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103960 1314723819 /nfs/dbraw/zinc/72/38/19/1314723819.db2.gz BEBKUOXNBRXBHX-PMACEKPBSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105411 1314728006 /nfs/dbraw/zinc/72/80/06/1314728006.db2.gz OIIZDTXZBJZVRE-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246999668 1314728380 /nfs/dbraw/zinc/72/83/80/1314728380.db2.gz GDJVGNPUPILLNI-LRYGQEGESA-N 2 0 335.492 2.675 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108098 1314733240 /nfs/dbraw/zinc/73/32/40/1314733240.db2.gz PEFWGEQJNMXHHI-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001215407722 1314831362 /nfs/dbraw/zinc/83/13/62/1314831362.db2.gz OHCUKSGAWHZLAY-BFYDXBDKSA-N 2 0 333.476 2.746 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557815 1314851837 /nfs/dbraw/zinc/85/18/37/1314851837.db2.gz DMPYMRQMHLJSLN-UYAOXDASSA-N 2 0 343.515 2.564 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216336072 1314941903 /nfs/dbraw/zinc/94/19/03/1314941903.db2.gz VXLRJPDKLWUUFC-QFUCXCTJSA-N 2 0 343.515 2.866 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCc3sccc3C2)C[C@H]1C ZINC001216829865 1315013181 /nfs/dbraw/zinc/01/31/81/1315013181.db2.gz BJKZYGMVWPHOCC-NVXWUHKLSA-N 2 0 347.528 2.509 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001216842408 1315014410 /nfs/dbraw/zinc/01/44/10/1315014410.db2.gz BNDQHRRXTMXHKQ-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C1C[NH2+][C@](C)(c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)C1 ZINC001249231337 1315036179 /nfs/dbraw/zinc/03/61/79/1315036179.db2.gz CJODMQWVECOJBM-SSVWKNEZSA-N 2 0 337.427 2.963 20 30 EFEDRP C=C1CC[NH2+]C[C@H]1OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833735 1315116218 /nfs/dbraw/zinc/11/62/18/1315116218.db2.gz YZKYVRRUBBHMLB-CTNGQTDRSA-N 2 0 344.499 2.991 20 30 EFEDRP CC[C@@]1(c2cccc(O[C@H]3C[NH2+]C[C@@H]3C#N)c2)CCCC[N@H+](C)C1 ZINC001218410034 1315192057 /nfs/dbraw/zinc/19/20/57/1315192057.db2.gz YBIMSNKITOSREG-FFZOFVMBSA-N 2 0 327.472 2.940 20 30 EFEDRP C[NH+]1CCN(c2ccc(Nc3ccc4c[nH+]cn4c3)cc2C#N)CC1 ZINC001250328122 1315198260 /nfs/dbraw/zinc/19/82/60/1315198260.db2.gz HMEQGCYVPCNBPT-UHFFFAOYSA-N 2 0 332.411 2.701 20 30 EFEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001054035777 1315198826 /nfs/dbraw/zinc/19/88/26/1315198826.db2.gz UVTUUNPZTPUTOD-UXHICEINSA-N 2 0 341.499 2.590 20 30 EFEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001218548963 1315213835 /nfs/dbraw/zinc/21/38/35/1315213835.db2.gz ROXBNHKRMYRNHO-AWEZNQCLSA-N 2 0 334.489 2.543 20 30 EFEDRP N#Cc1c(NC(=O)CC2(C[NH3+])CCCCC2)sc2c1CC[NH2+]C2 ZINC001218552444 1315215140 /nfs/dbraw/zinc/21/51/40/1315215140.db2.gz GLKPCRWSSUCHBB-UHFFFAOYSA-N 2 0 332.473 2.503 20 30 EFEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001218910231 1315258298 /nfs/dbraw/zinc/25/82/98/1315258298.db2.gz GLQBMXMCXGUENI-ZDUSSCGKSA-N 2 0 345.472 2.602 20 30 EFEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532629 1315320945 /nfs/dbraw/zinc/32/09/45/1315320945.db2.gz BKHJUOGKHWLKPM-JKIFEVAISA-N 2 0 329.444 2.537 20 30 EFEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132806 1315342372 /nfs/dbraw/zinc/34/23/72/1315342372.db2.gz ORIJLCBDDBFELH-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132900 1315343579 /nfs/dbraw/zinc/34/35/79/1315343579.db2.gz RHMRKSPQOGJOKZ-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135562 1315346537 /nfs/dbraw/zinc/34/65/37/1315346537.db2.gz GAYDPQHUBMNSEG-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054135107 1315347295 /nfs/dbraw/zinc/34/72/95/1315347295.db2.gz VFIAJWLVWXUOMW-QWFCFKBJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001054139532 1315353098 /nfs/dbraw/zinc/35/30/98/1315353098.db2.gz OUMPYXBFMKJVKD-IBGZPJMESA-N 2 0 347.528 2.924 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054141384 1315356302 /nfs/dbraw/zinc/35/63/02/1315356302.db2.gz KGXTXOINKDNIFJ-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144169 1315361769 /nfs/dbraw/zinc/36/17/69/1315361769.db2.gz RAGSBDQKFZNOER-TZIWHRDSSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144613 1315362121 /nfs/dbraw/zinc/36/21/21/1315362121.db2.gz AMTHVJMCPJEHER-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145233 1315363900 /nfs/dbraw/zinc/36/39/00/1315363900.db2.gz NKBUBHZQCDDBMR-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054152820 1315376932 /nfs/dbraw/zinc/37/69/32/1315376932.db2.gz HNOOIBFMZZUQIJ-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054154374 1315380131 /nfs/dbraw/zinc/38/01/31/1315380131.db2.gz SRTUKOWIYDVAJN-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170176 1315403908 /nfs/dbraw/zinc/40/39/08/1315403908.db2.gz CIBCLXYAMYATAO-FPOVZHCZSA-N 2 0 345.531 2.751 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252127650 1315416680 /nfs/dbraw/zinc/41/66/80/1315416680.db2.gz CWJNCHKQCKCDEI-HXUWFJFHSA-N 2 0 339.568 2.810 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183116 1315423449 /nfs/dbraw/zinc/42/34/49/1315423449.db2.gz YJKMOBUXOXQSIA-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCOC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001252467434 1315453159 /nfs/dbraw/zinc/45/31/59/1315453159.db2.gz YNBKOLROBPMBLB-HXUWFJFHSA-N 2 0 344.499 2.538 20 30 EFEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552191 1315466596 /nfs/dbraw/zinc/46/65/96/1315466596.db2.gz HQTFTIHCZWMKRU-PMACEKPBSA-N 2 0 344.499 2.679 20 30 EFEDRP C=C[C@](C)(O)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001252552080 1315467240 /nfs/dbraw/zinc/46/72/40/1315467240.db2.gz SPMCMVLYTCRPQB-FQEVSTJZSA-N 2 0 344.499 2.920 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)C1 ZINC001221205577 1315491966 /nfs/dbraw/zinc/49/19/66/1315491966.db2.gz YURPDWSWCLFPPL-QUCCMNQESA-N 2 0 345.462 2.681 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)C1 ZINC001221205576 1315492077 /nfs/dbraw/zinc/49/20/77/1315492077.db2.gz YURPDWSWCLFPPL-ICSRJNTNSA-N 2 0 345.462 2.681 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132524 1315515087 /nfs/dbraw/zinc/51/50/87/1315515087.db2.gz NMNXHBMSGXWYRW-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132251 1315515193 /nfs/dbraw/zinc/51/51/93/1315515193.db2.gz GJUPRYSPSSBHIL-SLFFLAALSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244503 1315515782 /nfs/dbraw/zinc/51/57/82/1315515782.db2.gz FYEDBZRJZRSBAP-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245079 1315516905 /nfs/dbraw/zinc/51/69/05/1315516905.db2.gz OLXSBASZNPZJQA-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039135715 1315520416 /nfs/dbraw/zinc/52/04/16/1315520416.db2.gz IGMNZKNQSNNAOY-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136607 1315522925 /nfs/dbraw/zinc/52/29/25/1315522925.db2.gz BEBGUCYNQDGSLT-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140231 1315528183 /nfs/dbraw/zinc/52/81/83/1315528183.db2.gz RBAHEEMVYUPUAC-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140908 1315529280 /nfs/dbraw/zinc/52/92/80/1315529280.db2.gz KOECVJLVUVPEFD-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140906 1315529777 /nfs/dbraw/zinc/52/97/77/1315529777.db2.gz KOECVJLVUVPEFD-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141009 1315531049 /nfs/dbraw/zinc/53/10/49/1315531049.db2.gz NAZAIVWWFGGHIH-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153121 1315547765 /nfs/dbraw/zinc/54/77/65/1315547765.db2.gz PMYADNBHJGWCDK-YSIASYRMSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163585 1315562075 /nfs/dbraw/zinc/56/20/75/1315562075.db2.gz CWOFCVAGJFURRY-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620659 1315564484 /nfs/dbraw/zinc/56/44/84/1315564484.db2.gz RAUHAWWUJWRAEF-IEBWSBKVSA-N 2 0 335.536 2.974 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221643224 1315569669 /nfs/dbraw/zinc/56/96/69/1315569669.db2.gz VUVYDPQARSXLBR-GUDVDZBRSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001253241685 1315584071 /nfs/dbraw/zinc/58/40/71/1315584071.db2.gz ZHNCEJWNMGHUQY-HXUWFJFHSA-N 2 0 337.552 2.587 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181996 1315588933 /nfs/dbraw/zinc/58/89/33/1315588933.db2.gz GXBNUNQSFBESGC-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039181792 1315589204 /nfs/dbraw/zinc/58/92/04/1315589204.db2.gz BDHIJEHNFABWMQ-FQEVSTJZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001253577746 1315616410 /nfs/dbraw/zinc/61/64/10/1315616410.db2.gz PLPAVTPEUOOVPW-GOSISDBHSA-N 2 0 330.472 2.530 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214740 1315631772 /nfs/dbraw/zinc/63/17/72/1315631772.db2.gz QAVJONSSJCMNQG-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225741 1315646632 /nfs/dbraw/zinc/64/66/32/1315646632.db2.gz QVUIFXIQHRPQRI-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228591 1315650845 /nfs/dbraw/zinc/65/08/45/1315650845.db2.gz GJLWBRQANPREMP-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235512 1315659715 /nfs/dbraw/zinc/65/97/15/1315659715.db2.gz XZMHZBNXGWHYDQ-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239934 1315666465 /nfs/dbraw/zinc/66/64/65/1315666465.db2.gz SKJFMQDKACPBSS-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240386 1315667456 /nfs/dbraw/zinc/66/74/56/1315667456.db2.gz VGDOLBLAIHMXQN-SJORKVTESA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240378 1315667571 /nfs/dbraw/zinc/66/75/71/1315667571.db2.gz VGDOLBLAIHMXQN-DLBZAZTESA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243830 1315672394 /nfs/dbraw/zinc/67/23/94/1315672394.db2.gz WMCSSRCCGQXAKK-IAGOWNOFSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243708 1315672492 /nfs/dbraw/zinc/67/24/92/1315672492.db2.gz VWCPLCDERGOJOP-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039280907 1315700075 /nfs/dbraw/zinc/70/00/75/1315700075.db2.gz ROMYFDUQJAPUOZ-QBUWPKIASA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039294269 1315705606 /nfs/dbraw/zinc/70/56/06/1315705606.db2.gz ROGJNCKBIDQCLJ-NPYXIHBLSA-N 2 0 341.927 2.827 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1occc1C[NH+](C)C ZINC001039295229 1315705920 /nfs/dbraw/zinc/70/59/20/1315705920.db2.gz FXYZEOSGOSNPDD-ALOPSCKCSA-N 2 0 331.460 2.643 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CCC[C@H]1C ZINC001039298085 1315707247 /nfs/dbraw/zinc/70/72/47/1315707247.db2.gz JKKGVKXAHWNMPJ-MGNMYUMUSA-N 2 0 339.911 2.725 20 30 EFEDRP C[N@@H+]1CCC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254506809 1315710926 /nfs/dbraw/zinc/71/09/26/1315710926.db2.gz ARYFWVYHYLWVDL-LJQANCHMSA-N 2 0 326.488 2.619 20 30 EFEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001254507646 1315712035 /nfs/dbraw/zinc/71/20/35/1315712035.db2.gz DWHZORDONLBRBH-IBGZPJMESA-N 2 0 326.488 2.597 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001050165312 1315746817 /nfs/dbraw/zinc/74/68/17/1315746817.db2.gz ZDBMPRQCXBXYAQ-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001039375098 1315747951 /nfs/dbraw/zinc/74/79/51/1315747951.db2.gz RHXPRXZCIBLTTA-SXLOBPIMSA-N 2 0 345.531 2.892 20 30 EFEDRP C[NH+]1CCC(C#N)(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255132951 1315779988 /nfs/dbraw/zinc/77/99/88/1315779988.db2.gz NTKMTAZVCKQOCE-OWZKRDHZSA-N 2 0 338.499 2.760 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050563349 1315782669 /nfs/dbraw/zinc/78/26/69/1315782669.db2.gz JNXADGTVMRQZSS-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039447863 1315797381 /nfs/dbraw/zinc/79/73/81/1315797381.db2.gz MZNGKGMMYQFRNS-CEXWTWQISA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001039458143 1315805209 /nfs/dbraw/zinc/80/52/09/1315805209.db2.gz HPIZHTKHVQIFFP-QYZOEREBSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001039458142 1315805475 /nfs/dbraw/zinc/80/54/75/1315805475.db2.gz HPIZHTKHVQIFFP-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766531 1315809741 /nfs/dbraw/zinc/80/97/41/1315809741.db2.gz QHMWFUZCEWJIDT-IYBDPMFKSA-N 2 0 339.911 2.536 20 30 EFEDRP C=CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1=O ZINC001255389307 1315815244 /nfs/dbraw/zinc/81/52/44/1315815244.db2.gz FLRRDRBJKJJZPR-UXHICEINSA-N 2 0 341.499 2.808 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052427863 1315945529 /nfs/dbraw/zinc/94/55/29/1315945529.db2.gz BWXHJSXQJMPGIV-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020090 1316021617 /nfs/dbraw/zinc/02/16/17/1316021617.db2.gz ZMLNOQMDYAZYOV-UHFFFAOYSA-N 2 0 340.515 2.764 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202105 1316140559 /nfs/dbraw/zinc/14/05/59/1316140559.db2.gz PRIGENCCCRXKSO-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP COC(=O)CC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258362715 1316142939 /nfs/dbraw/zinc/14/29/39/1316142939.db2.gz ZORNVMMHWQZFEG-ATZDWAIDSA-N 2 0 343.471 2.972 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040240774 1316160547 /nfs/dbraw/zinc/16/05/47/1316160547.db2.gz JJKHJEBFHNZCOW-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001258717156 1316173287 /nfs/dbraw/zinc/17/32/87/1316173287.db2.gz JGBUPWYLDRZGNC-HKUYNNGSSA-N 2 0 343.515 2.746 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258727067 1316173408 /nfs/dbraw/zinc/17/34/08/1316173408.db2.gz BGDDXYVUIZZZMS-MRXNPFEDSA-N 2 0 332.492 2.644 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040265088 1316174025 /nfs/dbraw/zinc/17/40/25/1316174025.db2.gz VUPCGOYITXXEML-HXUWFJFHSA-N 2 0 336.439 2.514 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258730306 1316174198 /nfs/dbraw/zinc/17/41/98/1316174198.db2.gz DQOBYYCXWSSWMV-DFQSSKMNSA-N 2 0 329.488 2.959 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730153 1316174387 /nfs/dbraw/zinc/17/43/87/1316174387.db2.gz BJSMJDOQNGFTTO-MISYRCLQSA-N 2 0 329.488 2.959 20 30 EFEDRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001258769965 1316176061 /nfs/dbraw/zinc/17/60/61/1316176061.db2.gz QAXLNLWVAKSKEK-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040271971 1316177848 /nfs/dbraw/zinc/17/78/48/1316177848.db2.gz WBURCXHZDKVPPZ-NRFANRHFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C2 ZINC001258898669 1316190596 /nfs/dbraw/zinc/19/05/96/1316190596.db2.gz OLVYAZKOFYJQLQ-PKOBYXMFSA-N 2 0 345.531 2.992 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313785 1316198007 /nfs/dbraw/zinc/19/80/07/1316198007.db2.gz MWVNWPUFDXAOBV-FPOVZHCZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355351 1316218652 /nfs/dbraw/zinc/21/86/52/1316218652.db2.gz AVVBPOPTRLTUES-CMKODMSKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432259 1316262227 /nfs/dbraw/zinc/26/22/27/1316262227.db2.gz NNKAAKLCUPJXKH-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040451212 1316274024 /nfs/dbraw/zinc/27/40/24/1316274024.db2.gz CBAOXFKCNYVBIG-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542694 1316315446 /nfs/dbraw/zinc/31/54/46/1316315446.db2.gz COAHWQIAEUYDFP-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001040545435 1316317027 /nfs/dbraw/zinc/31/70/27/1316317027.db2.gz QBUVWVIWBKFBES-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040702734 1316354982 /nfs/dbraw/zinc/35/49/82/1316354982.db2.gz YIQQLWXQDWMNQD-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001040703377 1316355013 /nfs/dbraw/zinc/35/50/13/1316355013.db2.gz CKVMEPHYQXMCOT-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072109772 1316358950 /nfs/dbraw/zinc/35/89/50/1316358950.db2.gz MNXGODAIPWZLHR-IAGOWNOFSA-N 2 0 345.487 2.727 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746661 1316365301 /nfs/dbraw/zinc/36/53/01/1316365301.db2.gz GBVIFEOQOCGPPC-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746143 1316365572 /nfs/dbraw/zinc/36/55/72/1316365572.db2.gz WJTVNJLBHSEPKJ-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)CC1 ZINC001040753154 1316367372 /nfs/dbraw/zinc/36/73/72/1316367372.db2.gz PRJPEDGCNLTPTC-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001040759980 1316369074 /nfs/dbraw/zinc/36/90/74/1316369074.db2.gz DYYAODSHMLMKBC-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040846475 1316387825 /nfs/dbraw/zinc/38/78/25/1316387825.db2.gz BSMYJAZAPXEMCM-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)CC1 ZINC001040874125 1316393875 /nfs/dbraw/zinc/39/38/75/1316393875.db2.gz CTFFSELEWIWCOV-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C#Cc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC001261173593 1316394706 /nfs/dbraw/zinc/39/47/06/1316394706.db2.gz QXMWVJZHAUKQIP-UHFFFAOYSA-N 2 0 333.479 2.705 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882552 1316397006 /nfs/dbraw/zinc/39/70/06/1316397006.db2.gz FSIULVUWDZISFK-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040901009 1316401015 /nfs/dbraw/zinc/40/10/15/1316401015.db2.gz FSZMOCXJBXJPAY-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041371085 1316530753 /nfs/dbraw/zinc/53/07/53/1316530753.db2.gz KCGGVEVCDAUKLL-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421867 1316547919 /nfs/dbraw/zinc/54/79/19/1316547919.db2.gz KPXRUWUGMCYCKV-HXUWFJFHSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041424368 1316548965 /nfs/dbraw/zinc/54/89/65/1316548965.db2.gz ZRVPPPCBTBSYKH-FQEVSTJZSA-N 2 0 338.455 2.757 20 30 EFEDRP C=CC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424473 1316548999 /nfs/dbraw/zinc/54/89/99/1316548999.db2.gz LGRDHAISMDYTDG-FQEVSTJZSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041444628 1316553458 /nfs/dbraw/zinc/55/34/58/1316553458.db2.gz CTTCVCGPKQUHQM-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041723424 1316665414 /nfs/dbraw/zinc/66/54/14/1316665414.db2.gz HYSSHXNWEMORQN-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778697 1316694121 /nfs/dbraw/zinc/69/41/21/1316694121.db2.gz DYXYDVDZZCHWFT-SFTDATJTSA-N 2 0 341.499 2.574 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845943 1316732186 /nfs/dbraw/zinc/73/21/86/1316732186.db2.gz SRECMZYJRPSNLK-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001265693161 1316855967 /nfs/dbraw/zinc/85/59/67/1316855967.db2.gz FGAZKFDWQRZUPP-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042114836 1316887900 /nfs/dbraw/zinc/88/79/00/1316887900.db2.gz OZOMROIZRYMPGX-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042122640 1316894704 /nfs/dbraw/zinc/89/47/04/1316894704.db2.gz ACPWCVRWUNDVJU-FUHWJXTLSA-N 2 0 333.520 2.748 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125503 1316896727 /nfs/dbraw/zinc/89/67/27/1316896727.db2.gz UZYNDCSGNXVXRB-MJGOQNOKSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001042234207 1316997123 /nfs/dbraw/zinc/99/71/23/1316997123.db2.gz LBJHJQMQLLXYMC-QUCCMNQESA-N 2 0 341.499 2.513 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268680 1317066030 /nfs/dbraw/zinc/06/60/30/1317066030.db2.gz FJZYZSGZAIBICJ-QUCCMNQESA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042307888 1317128331 /nfs/dbraw/zinc/12/83/31/1317128331.db2.gz QEHBEYCSXVQXJV-ICSRJNTNSA-N 2 0 345.531 2.607 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccn4)C[C@H]3CC2)cc1C#N ZINC001279172435 1317203143 /nfs/dbraw/zinc/20/31/43/1317203143.db2.gz BGNNOMGCOJQGSQ-KDURUIRLSA-N 2 0 349.482 2.636 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368124 1317223261 /nfs/dbraw/zinc/22/32/61/1317223261.db2.gz ODHCINKOBPYDJU-FXAWDEMLSA-N 2 0 341.499 2.861 20 30 EFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348951319 1332887612 /nfs/dbraw/zinc/88/76/12/1332887612.db2.gz JBLQPSJSXHPQOA-CALCHBBNSA-N 2 0 342.487 2.844 20 30 EFEDRP C=CCCC[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001100531881 1334223299 /nfs/dbraw/zinc/22/32/99/1334223299.db2.gz ONAURWVKIYOCTK-UHFFFAOYSA-N 2 0 343.515 2.855 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100614169 1334406821 /nfs/dbraw/zinc/40/68/21/1334406821.db2.gz GUHLHYNGYUPLDA-HPUBIQBYSA-N 2 0 333.476 2.794 20 30 EFEDRP CN(CCC[NH+]=C(Nc1ccccc1)N1CCCCC1)CC[NH+](C)C ZINC000849081490 1335071938 /nfs/dbraw/zinc/07/19/38/1335071938.db2.gz BDARWQRJWCSDII-UHFFFAOYSA-N 2 0 345.535 2.824 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001357351046 1335304113 /nfs/dbraw/zinc/30/41/13/1335304113.db2.gz MVFPZMNGILMVCG-LJQANCHMSA-N 2 0 329.488 2.713 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001357571866 1335317342 /nfs/dbraw/zinc/31/73/42/1335317342.db2.gz CGAPWEBVKMRDQN-IBGZPJMESA-N 2 0 344.503 2.839 20 30 EFEDRP C[NH+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCc1ccco1 ZINC000849107791 1335553091 /nfs/dbraw/zinc/55/30/91/1335553091.db2.gz UFDSDOYOWZWEOD-UHFFFAOYSA-N 2 0 332.492 2.991 20 30 EFEDRP CC[NH+]1CCC(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC001414133114 1335637063 /nfs/dbraw/zinc/63/70/63/1335637063.db2.gz FNCJHAIZXOLGTA-UHFFFAOYSA-N 2 0 330.451 2.551 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001091160953 1335727593 /nfs/dbraw/zinc/72/75/93/1335727593.db2.gz BJUUPALTKMRBMP-UHFFFAOYSA-N 2 0 349.906 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001366790815 1338009509 /nfs/dbraw/zinc/00/95/09/1338009509.db2.gz IFJMPIGXABWDRT-OAHLLOKOSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366850779 1338117322 /nfs/dbraw/zinc/11/73/22/1338117322.db2.gz FTTAALJFUHURHN-QGZVFWFLSA-N 2 0 341.927 2.833 20 30 EFEDRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001367128777 1338417369 /nfs/dbraw/zinc/41/73/69/1338417369.db2.gz RHHMWADRTKGTDR-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)CN(C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001367529796 1338830310 /nfs/dbraw/zinc/83/03/10/1338830310.db2.gz ZKLKRAHOGCIIBN-UHFFFAOYSA-N 2 0 337.895 2.547 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001368777491 1339703737 /nfs/dbraw/zinc/70/37/37/1339703737.db2.gz WUIXMHBDVVNTRY-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001370491439 1340100727 /nfs/dbraw/zinc/10/07/27/1340100727.db2.gz GCBFZHHKCXONJV-SHTZXODSSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCC1 ZINC001392011835 1355713274 /nfs/dbraw/zinc/71/32/74/1355713274.db2.gz ZDKRFRHNDLJAKC-HNNXBMFYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001374403020 1341868072 /nfs/dbraw/zinc/86/80/72/1341868072.db2.gz DEWUBBZWNFYGOK-KRWDZBQOSA-N 2 0 343.943 2.886 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001374571756 1342083501 /nfs/dbraw/zinc/08/35/01/1342083501.db2.gz RTJXMEXBVDBVRW-MSOLQXFVSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001377616202 1344224308 /nfs/dbraw/zinc/22/43/08/1344224308.db2.gz OOGJRCACQIUXDW-INIZCTEOSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001377671110 1344299081 /nfs/dbraw/zinc/29/90/81/1344299081.db2.gz BSTAAIJOLGQCGS-IAGOWNOFSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001377947048 1344606966 /nfs/dbraw/zinc/60/69/66/1344606966.db2.gz HVQZYBBTCVEUAI-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001377963546 1344620242 /nfs/dbraw/zinc/62/02/42/1344620242.db2.gz VXDOZSYIAXSVNE-UHFFFAOYSA-N 2 0 331.932 2.791 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001378494882 1345123055 /nfs/dbraw/zinc/12/30/55/1345123055.db2.gz CWHXMQRHOYVMFI-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001378926994 1345432102 /nfs/dbraw/zinc/43/21/02/1345432102.db2.gz PXBDBJYKDWAMTM-RDJZCZTQSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928964 1345434372 /nfs/dbraw/zinc/43/43/72/1345434372.db2.gz SOOCDPHONYFBOD-NVXWUHKLSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001380179969 1347552982 /nfs/dbraw/zinc/55/29/82/1347552982.db2.gz JNEDYEWUUAZPIN-ALOPSCKCSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001388727518 1352954853 /nfs/dbraw/zinc/95/48/53/1352954853.db2.gz WQXJHYRLNVXWQE-WKILWMFISA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001390616188 1354212134 /nfs/dbraw/zinc/21/21/34/1354212134.db2.gz QAKNJFAFYRCXSX-CABCVRRESA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676410 1387279495 /nfs/dbraw/zinc/27/94/95/1387279495.db2.gz XFVZUJSAZSEZGJ-JKSUJKDBSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001392182377 1355835774 /nfs/dbraw/zinc/83/57/74/1355835774.db2.gz AYERYHCRTIQLLS-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001392343885 1356009923 /nfs/dbraw/zinc/00/99/23/1356009923.db2.gz BZYUDMHJUUPZJG-DLBZAZTESA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001401071616 1362411102 /nfs/dbraw/zinc/41/11/02/1362411102.db2.gz ZMFPAUAWGDPKAH-QGZVFWFLSA-N 2 0 337.895 2.731 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001401075167 1362416103 /nfs/dbraw/zinc/41/61/03/1362416103.db2.gz MAXQTGHMQXBYMK-HNNXBMFYSA-N 2 0 338.883 2.805 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001401297681 1362644465 /nfs/dbraw/zinc/64/44/65/1362644465.db2.gz PFFXUMZXNOPRAQ-JKSUJKDBSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001401302032 1362647335 /nfs/dbraw/zinc/64/73/35/1362647335.db2.gz VKLAASNQFMKFKS-HIFRSBDPSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001402167287 1363475123 /nfs/dbraw/zinc/47/51/23/1363475123.db2.gz FGWCCRKGKLAMIZ-SFHVURJKSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001405712535 1366356336 /nfs/dbraw/zinc/35/63/36/1366356336.db2.gz COBHBGAVHGDDCK-GOEBONIOSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001406041185 1367132168 /nfs/dbraw/zinc/13/21/68/1367132168.db2.gz IYGBUHUHAVKARP-QGZVFWFLSA-N 2 0 337.895 2.845 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1CC ZINC001406809123 1368083053 /nfs/dbraw/zinc/08/30/53/1368083053.db2.gz OAQNDEKGNHPWDV-HZPDHXFCSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001407552467 1368976305 /nfs/dbraw/zinc/97/63/05/1368976305.db2.gz UCPFFCXVPAXPOG-HUUCEWRRSA-N 2 0 329.916 2.543 20 30 EFEDRP CC[NH+]1CCC(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC001414171158 1370064925 /nfs/dbraw/zinc/06/49/25/1370064925.db2.gz NGKXQZOBFZGHOS-UHFFFAOYSA-N 2 0 330.451 2.551 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001418170188 1373720799 /nfs/dbraw/zinc/72/07/99/1373720799.db2.gz OCRYCUJTMVITBW-INIZCTEOSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001418844241 1374567194 /nfs/dbraw/zinc/56/71/94/1374567194.db2.gz PPTJEAYOTGJVBE-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001419258144 1375003914 /nfs/dbraw/zinc/00/39/14/1375003914.db2.gz ZUXSCBYEASJNEU-CQSZACIVSA-N 2 0 341.908 2.660 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001419424338 1375255855 /nfs/dbraw/zinc/25/58/55/1375255855.db2.gz NNRUBAZBYXEPMM-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001438336827 1388516770 /nfs/dbraw/zinc/51/67/70/1388516770.db2.gz PNRACUDIXGZLKH-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421550718 1378797299 /nfs/dbraw/zinc/79/72/99/1378797299.db2.gz UVNSASZGKYKIBQ-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001421804682 1379153310 /nfs/dbraw/zinc/15/33/10/1379153310.db2.gz NJTNMCUTCCEBPC-MRXNPFEDSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001438430879 1388592761 /nfs/dbraw/zinc/59/27/61/1388592761.db2.gz DNXZFXARFTVJEE-KSSFIOAISA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCCC1 ZINC001422035854 1379521244 /nfs/dbraw/zinc/52/12/44/1379521244.db2.gz UWSWLBUQWMMVSS-MRXNPFEDSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001422112049 1379627892 /nfs/dbraw/zinc/62/78/92/1379627892.db2.gz ULEMYOZMEDJFOJ-AWEZNQCLSA-N 2 0 343.924 2.906 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cccc2nccn21)C1CCCC1 ZINC001423553412 1382055785 /nfs/dbraw/zinc/05/57/85/1382055785.db2.gz YCEPBXBFKUSCQY-HNNXBMFYSA-N 2 0 346.862 2.965 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001440126611 1389399333 /nfs/dbraw/zinc/39/93/33/1389399333.db2.gz AKGWHTXHIUTJIB-BRWVUGGUSA-N 2 0 343.943 2.837 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001440988342 1391006701 /nfs/dbraw/zinc/00/67/01/1391006701.db2.gz LISJRDGCYSWFDP-DLBZAZTESA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001441386912 1391276508 /nfs/dbraw/zinc/27/65/08/1391276508.db2.gz OAEDQUOCMFRSRF-INIZCTEOSA-N 2 0 329.916 2.782 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001441523258 1391351441 /nfs/dbraw/zinc/35/14/41/1391351441.db2.gz NMGVFRWTFJVJBU-GFCCVEGCSA-N 2 0 329.897 2.612 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001446653618 1391570448 /nfs/dbraw/zinc/57/04/48/1391570448.db2.gz SLAHKTYAAPVXEN-UHFFFAOYSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001493846392 1398919049 /nfs/dbraw/zinc/91/90/49/1398919049.db2.gz FTUBQPBCYSIFBW-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001503763947 1404507851 /nfs/dbraw/zinc/50/78/51/1404507851.db2.gz KFZZTRKIRRPOMD-UHFFFAOYSA-N 2 0 341.927 2.785 20 30 EFEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001716808111 1419022229 /nfs/dbraw/zinc/02/22/29/1419022229.db2.gz JSJMIWVKZIKFEE-HXUWFJFHSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(C)C)CC1 ZINC000969155978 712942562 /nfs/dbraw/zinc/94/25/62/712942562.db2.gz GKSQZWNRIBHDBL-FQEVSTJZSA-N 2 0 347.547 2.739 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156478 712945232 /nfs/dbraw/zinc/94/52/32/712945232.db2.gz UCSGVZASTXMTEC-IBGZPJMESA-N 2 0 341.499 2.746 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969834337 713275890 /nfs/dbraw/zinc/27/58/90/713275890.db2.gz XVBWMEFVNPDOJD-LPHOPBHVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723518 717923752 /nfs/dbraw/zinc/92/37/52/717923752.db2.gz WGQZWVGEHGQBJD-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970593210 713834295 /nfs/dbraw/zinc/83/42/95/713834295.db2.gz HQFUFLZEGRTVFP-INIZCTEOSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557204 717936545 /nfs/dbraw/zinc/93/65/45/717936545.db2.gz OFCZQYCSAARNQZ-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700437 714333172 /nfs/dbraw/zinc/33/31/72/714333172.db2.gz PVIQCSWXGHIBSG-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706768 714345923 /nfs/dbraw/zinc/34/59/23/714345923.db2.gz OVKPDYKCAZENCB-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706765 714346086 /nfs/dbraw/zinc/34/60/86/714346086.db2.gz OVKPDYKCAZENCB-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738904 714401167 /nfs/dbraw/zinc/40/11/67/714401167.db2.gz DSDJUMCBRVREQP-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024615449 718028161 /nfs/dbraw/zinc/02/81/61/718028161.db2.gz SQCDFKGZVQLPJW-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158020 715450956 /nfs/dbraw/zinc/45/09/56/715450956.db2.gz JJCKBOKHAYFXFT-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443417 715817171 /nfs/dbraw/zinc/81/71/71/715817171.db2.gz LSOLQHUPCCVBFW-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485985 716029061 /nfs/dbraw/zinc/02/90/61/716029061.db2.gz PLJBOQNYIHOMBE-HZPDHXFCSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507060 716108925 /nfs/dbraw/zinc/10/89/25/716108925.db2.gz HEUPMRMNFJVQIV-IBGZPJMESA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977430967 716215217 /nfs/dbraw/zinc/21/52/17/716215217.db2.gz BJMOMWBWRCNDIH-LJQANCHMSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977430965 716215266 /nfs/dbraw/zinc/21/52/66/716215266.db2.gz BJMOMWBWRCNDIH-IBGZPJMESA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977440479 716236443 /nfs/dbraw/zinc/23/64/43/716236443.db2.gz PUTYHJXVQIFLIJ-GOSISDBHSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409976 716430188 /nfs/dbraw/zinc/43/01/88/716430188.db2.gz KHKRIQYFQCIYSE-MOPGFXCFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641529 716433717 /nfs/dbraw/zinc/43/37/17/716433717.db2.gz NXFAOYQTHXMATD-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454359 716489453 /nfs/dbraw/zinc/48/94/53/716489453.db2.gz SZEIZNQCNFGCFH-MRXNPFEDSA-N 2 0 326.444 2.661 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023456877 716492482 /nfs/dbraw/zinc/49/24/82/716492482.db2.gz BCBSERXKYFOTOP-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692264 716539473 /nfs/dbraw/zinc/53/94/73/716539473.db2.gz DKTKGIKSDPBJAK-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694573 716549771 /nfs/dbraw/zinc/54/97/71/716549771.db2.gz CUQTWIJYVLWIDT-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552724 716616574 /nfs/dbraw/zinc/61/65/74/716616574.db2.gz MBILSASEZJRMKZ-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557548 716619262 /nfs/dbraw/zinc/61/92/62/716619262.db2.gz ZNXJRTPZHKXGSV-ROUUACIJSA-N 2 0 344.503 2.548 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001027574346 716694294 /nfs/dbraw/zinc/69/42/94/716694294.db2.gz PURSEANHGIQAMX-HXUWFJFHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023695179 716834825 /nfs/dbraw/zinc/83/48/25/716834825.db2.gz XTFLPJQSAIKICJ-SFHVURJKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c(C)cnc4c3)[C@@H]2C1 ZINC000978169345 716867391 /nfs/dbraw/zinc/86/73/91/716867391.db2.gz UZCHDFMBLNHSMP-NNZMDNLPSA-N 2 0 338.455 2.517 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001023760448 716973192 /nfs/dbraw/zinc/97/31/92/716973192.db2.gz WJHIJDZBOBRKQN-IBGZPJMESA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761703 716974555 /nfs/dbraw/zinc/97/45/55/716974555.db2.gz HAYNVQAIAUTAID-GOSISDBHSA-N 2 0 329.488 2.766 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770467 716991122 /nfs/dbraw/zinc/99/11/22/716991122.db2.gz ZYNJSCAJROMFPT-MRXNPFEDSA-N 2 0 333.476 2.749 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614918 717018540 /nfs/dbraw/zinc/01/85/40/717018540.db2.gz ILANUIDUDLZIFO-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC000979781287 717426522 /nfs/dbraw/zinc/42/65/22/717426522.db2.gz YMCAJWYNQVJZDW-UAGQMJEPSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000980002390 717654730 /nfs/dbraw/zinc/65/47/30/717654730.db2.gz QPIDUQUIHOPJAJ-GBESFXJTSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440374 717739307 /nfs/dbraw/zinc/73/93/07/717739307.db2.gz ORJADLVMIXAOJD-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980140181 717784113 /nfs/dbraw/zinc/78/41/13/717784113.db2.gz JZWGNOZWULDECT-RCCFBDPRSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141502 717786440 /nfs/dbraw/zinc/78/64/40/717786440.db2.gz BLQWXPBQLQKUGL-BZSNNMDCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980141507 717786525 /nfs/dbraw/zinc/78/65/25/717786525.db2.gz BLQWXPBQLQKUGL-KSZLIROESA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980152221 717802434 /nfs/dbraw/zinc/80/24/34/717802434.db2.gz WUXKQYPRIZHJFQ-CGTJXYLNSA-N 2 0 338.455 2.741 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980166095 717830448 /nfs/dbraw/zinc/83/04/48/717830448.db2.gz DVHNZUOASPZKFB-KSZLIROESA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885571 717832216 /nfs/dbraw/zinc/83/22/16/717832216.db2.gz HEXZKUKIACAJKN-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187961 717876644 /nfs/dbraw/zinc/87/66/44/717876644.db2.gz KWKZOGUOGWTGLL-FHWLQOOXSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980190743 717881950 /nfs/dbraw/zinc/88/19/50/717881950.db2.gz YUTIIFOOBAORMS-SLFFLAALSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722907 717884521 /nfs/dbraw/zinc/88/45/21/717884521.db2.gz NBPHYXCLWYVNGW-QFBILLFUSA-N 2 0 329.488 2.559 20 30 EFEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751849 718135006 /nfs/dbraw/zinc/13/50/06/718135006.db2.gz LLWLARNTRASQPT-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024752169 718138270 /nfs/dbraw/zinc/13/82/70/718138270.db2.gz QGHPZPYYEYVFKF-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240035 718459599 /nfs/dbraw/zinc/45/95/99/718459599.db2.gz KMVCAMHOVQNWRR-QZTJIDSGSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259651 718476322 /nfs/dbraw/zinc/47/63/22/718476322.db2.gz SKYCNEACMLWMMI-ROUUACIJSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199516 718493912 /nfs/dbraw/zinc/49/39/12/718493912.db2.gz QPGTVNHPZBNMCE-HUUCEWRRSA-N 2 0 332.835 2.717 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045654 718494309 /nfs/dbraw/zinc/49/43/09/718494309.db2.gz NSYYDBOOISISPI-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275236 718513253 /nfs/dbraw/zinc/51/32/53/718513253.db2.gz VAQMERSIKLTECL-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279641 718517478 /nfs/dbraw/zinc/51/74/78/718517478.db2.gz FOYPBIXFQPYNOU-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025281452 718520024 /nfs/dbraw/zinc/52/00/24/718520024.db2.gz VGYGAXTZYOAKHM-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238256 718542743 /nfs/dbraw/zinc/54/27/43/718542743.db2.gz HFKQOCRVNJIADR-QZTJIDSGSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238006 718547340 /nfs/dbraw/zinc/54/73/40/718547340.db2.gz DVMZOMBOCRBHMO-MOPGFXCFSA-N 2 0 343.515 2.997 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301650 718547335 /nfs/dbraw/zinc/54/73/35/718547335.db2.gz NSGKFBDLMXPJMZ-VQTJNVASSA-N 2 0 345.531 2.731 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981270609 718583151 /nfs/dbraw/zinc/58/31/51/718583151.db2.gz JCNWQAJZGHJGAA-CABCVRRESA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981333698 718642077 /nfs/dbraw/zinc/64/20/77/718642077.db2.gz DOPVOTTYTMIGQZ-VQTJNVASSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981447239 718727371 /nfs/dbraw/zinc/72/73/71/718727371.db2.gz JERUDTMTPYERLU-OALUTQOASA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000981539811 718798726 /nfs/dbraw/zinc/79/87/26/718798726.db2.gz YLISTUYDASZDJN-ZWKOTPCHSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420373 718799282 /nfs/dbraw/zinc/79/92/82/718799282.db2.gz AWHMVICDFJDRAN-NVXWUHKLSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000985518411 724535805 /nfs/dbraw/zinc/53/58/05/724535805.db2.gz LOXCXOJJWVVANB-KRWDZBQOSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025434624 718834950 /nfs/dbraw/zinc/83/49/50/718834950.db2.gz XLRRTTSEQMGPSK-CABCVRRESA-N 2 0 335.517 2.826 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433706 718838448 /nfs/dbraw/zinc/83/84/48/718838448.db2.gz OHEFXPODGUBCFA-HOTGVXAUSA-N 2 0 347.528 2.663 20 30 EFEDRP C=CCC[N@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687170 718943034 /nfs/dbraw/zinc/94/30/34/718943034.db2.gz IVYSWFGBEHUMKV-UHFFFAOYSA-N 2 0 329.488 2.515 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486368 719001248 /nfs/dbraw/zinc/00/12/48/719001248.db2.gz UBYDGPQSUKUTRV-JKSUJKDBSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516284 719052893 /nfs/dbraw/zinc/05/28/93/719052893.db2.gz RCHYWTKQHSOEQE-HZPDHXFCSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842717 719120493 /nfs/dbraw/zinc/12/04/93/719120493.db2.gz JLHJRQJKJSKCOE-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981842720 719120821 /nfs/dbraw/zinc/12/08/21/719120821.db2.gz JLHJRQJKJSKCOE-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981865357 719143627 /nfs/dbraw/zinc/14/36/27/719143627.db2.gz QNEUCCPDFWSBKQ-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472898 719178982 /nfs/dbraw/zinc/17/89/82/719178982.db2.gz OTYGNCVGOHOHJC-SESVDKBCSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593865 719190104 /nfs/dbraw/zinc/19/01/04/719190104.db2.gz WLDCYIGSFZBFTR-YLJYHZDGSA-N 2 0 347.547 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627677 719248753 /nfs/dbraw/zinc/24/87/53/719248753.db2.gz AWVSEDNQSOKNPZ-AZUAARDMSA-N 2 0 347.547 2.594 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630942 719258755 /nfs/dbraw/zinc/25/87/55/719258755.db2.gz XDEVIKGXTILSIX-ZWKOTPCHSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631002 719258984 /nfs/dbraw/zinc/25/89/84/719258984.db2.gz YCRLWTGKXMZMBU-SJORKVTESA-N 2 0 345.487 2.585 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631342 719259323 /nfs/dbraw/zinc/25/93/23/719259323.db2.gz ZRYQZMIEAXOLBW-UYAOXDASSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203505 719456470 /nfs/dbraw/zinc/45/64/70/719456470.db2.gz VWSUUDFIQLKQEQ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052438 719507098 /nfs/dbraw/zinc/50/70/98/719507098.db2.gz KHWSHIPOJBAWIH-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164537 719609521 /nfs/dbraw/zinc/60/95/21/719609521.db2.gz QIKFFDCOUZSWBX-LJQANCHMSA-N 2 0 341.499 2.790 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279896 719792349 /nfs/dbraw/zinc/79/23/49/719792349.db2.gz LWZYAQRWGHWRMX-JYRKZWEQSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296543 719844435 /nfs/dbraw/zinc/84/44/35/719844435.db2.gz UODLMERLPQEUBF-NRSPTQNISA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333135 719918563 /nfs/dbraw/zinc/91/85/63/719918563.db2.gz SUCRJIONVKBCIO-NRSPTQNISA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333028 719920925 /nfs/dbraw/zinc/92/09/25/719920925.db2.gz QISHDUMYTVRNBE-NRSPTQNISA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982344043 719946825 /nfs/dbraw/zinc/94/68/25/719946825.db2.gz RNZAHFPFMHEXNC-BGYRXZFFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001026266318 720073668 /nfs/dbraw/zinc/07/36/68/720073668.db2.gz DTBFGECPNDEUHN-OKZBNKHCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986469038 724691941 /nfs/dbraw/zinc/69/19/41/724691941.db2.gz YMNXOZWMSJHXAH-BBRMVZONSA-N 2 0 332.835 2.588 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026547375 720730839 /nfs/dbraw/zinc/73/08/39/720730839.db2.gz DCKFVESCPQPRTQ-TVPLGVNVSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001026590071 720784325 /nfs/dbraw/zinc/78/43/25/720784325.db2.gz ARZUOHTYBSLXII-UHFFFAOYSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541877 720983841 /nfs/dbraw/zinc/98/38/41/720983841.db2.gz GSGBEOIFUAJIFA-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP 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 ZINC000982725872 721131428 /nfs/dbraw/zinc/13/14/28/721131428.db2.gz PDCHWAQQPUWOJS-JYAXBFRTSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594168 721232148 /nfs/dbraw/zinc/23/21/48/721232148.db2.gz DBKAJWUWZBTQRK-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974675313 721265948 /nfs/dbraw/zinc/26/59/48/721265948.db2.gz CGLPSHMOQHYVSC-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677650 721270492 /nfs/dbraw/zinc/27/04/92/721270492.db2.gz FTWUFXFRTGOPQD-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833003 721307206 /nfs/dbraw/zinc/30/72/06/721307206.db2.gz AOHXSKRVEGYCBR-SESVDKBCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833559 721309165 /nfs/dbraw/zinc/30/91/65/721309165.db2.gz NREQBJKFNXXHQN-SESVDKBCSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000985687781 724797385 /nfs/dbraw/zinc/79/73/85/724797385.db2.gz XTJQKZIDDBRAIR-KRWDZBQOSA-N 2 0 341.927 2.925 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001028718170 721890432 /nfs/dbraw/zinc/89/04/32/721890432.db2.gz CNTZNEKAZZWURL-KRWDZBQOSA-N 2 0 338.455 2.890 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755188 721936231 /nfs/dbraw/zinc/93/62/31/721936231.db2.gz IJVPVEJHFQCEST-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925027671 722158978 /nfs/dbraw/zinc/15/89/78/722158978.db2.gz LUQBTNSEFMLNNZ-YQQQUEKLSA-N 2 0 330.472 2.983 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000985735789 724841757 /nfs/dbraw/zinc/84/17/57/724841757.db2.gz UUMXDRYNNFQBCQ-UHFFFAOYSA-N 2 0 341.927 2.782 20 30 EFEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000894863556 722913213 /nfs/dbraw/zinc/91/32/13/722913213.db2.gz IEXMHQPISIHYBW-PZJWPPBQSA-N 2 0 325.500 2.899 20 30 EFEDRP CN(c1ccccc1CN1CCC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000896505171 723330094 /nfs/dbraw/zinc/33/00/94/723330094.db2.gz ZATQTBIGXFVJOA-QGZVFWFLSA-N 2 0 326.488 2.953 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801461 723339754 /nfs/dbraw/zinc/33/97/54/723339754.db2.gz NHQBRJYAXLPVIE-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802326 723411418 /nfs/dbraw/zinc/41/14/18/723411418.db2.gz XYJYUHMGGUUMNT-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP CC[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000154635094 728832631 /nfs/dbraw/zinc/83/26/31/728832631.db2.gz HFJZZMLPFBWFNH-QFBILLFUSA-N 2 0 344.503 2.736 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985752045 724857156 /nfs/dbraw/zinc/85/71/56/724857156.db2.gz QUSYAJRYWDCTNQ-WBVHZDCISA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802612 724896858 /nfs/dbraw/zinc/89/68/58/724896858.db2.gz UJKTYXIGEAAIEU-UHFFFAOYSA-N 2 0 327.900 2.538 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000985801982 724897268 /nfs/dbraw/zinc/89/72/68/724897268.db2.gz LNXNTVZSVMFDMA-MRXNPFEDSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985803823 724898203 /nfs/dbraw/zinc/89/82/03/724898203.db2.gz KQUIEEOEQLMNHF-LJQANCHMSA-N 2 0 335.536 2.996 20 30 EFEDRP CCOCCC[N@@H+]1CCC(=Nn2cc(Br)cn2)[C@H](C)C1 ZINC000752743720 725443639 /nfs/dbraw/zinc/44/36/39/725443639.db2.gz XJNKDVMZKLCDIM-GFCCVEGCSA-N 2 0 343.269 2.618 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136557 725554089 /nfs/dbraw/zinc/55/40/89/725554089.db2.gz KERDFAZABAZJLG-GNBUJSLZSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136555 725554208 /nfs/dbraw/zinc/55/42/08/725554208.db2.gz KERDFAZABAZJLG-CGBFIWBNSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992146539 725562338 /nfs/dbraw/zinc/56/23/38/725562338.db2.gz HKQIJDVKDILVOZ-CMKODMSKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992153280 725566640 /nfs/dbraw/zinc/56/66/40/725566640.db2.gz UVAYDWDPQKLMHZ-WSTZPKSXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000987187325 725569175 /nfs/dbraw/zinc/56/91/75/725569175.db2.gz AZEHFPUSCLLHKS-RHSMWYFYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040724801 725706011 /nfs/dbraw/zinc/70/60/11/725706011.db2.gz WLCGTWSYJJBXIT-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992317665 725711265 /nfs/dbraw/zinc/71/12/65/725711265.db2.gz PCKPEUWPNFWTEM-ICSRJNTNSA-N 2 0 327.472 2.661 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992364486 725747205 /nfs/dbraw/zinc/74/72/05/725747205.db2.gz ARXOZBQOWKVVAM-UYAOXDASSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992399577 725777963 /nfs/dbraw/zinc/77/79/63/725777963.db2.gz CJLORTDYBUNOOD-FPOVZHCZSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992399581 725777997 /nfs/dbraw/zinc/77/79/97/725777997.db2.gz CJLORTDYBUNOOD-PZJWPPBQSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000992770788 726199201 /nfs/dbraw/zinc/19/92/01/726199201.db2.gz MRPXGFPCVWAKKF-KFKAGJAMSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC000992781294 726210340 /nfs/dbraw/zinc/21/03/40/726210340.db2.gz VGVSBJIEOMWMCG-OKZBNKHCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC000992854585 726300868 /nfs/dbraw/zinc/30/08/68/726300868.db2.gz IHHGUMFLSIYJBE-HSALFYBXSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC000992931149 726345510 /nfs/dbraw/zinc/34/55/10/726345510.db2.gz NGNNALMYQSKNSU-GUDVDZBRSA-N 2 0 333.520 2.655 20 30 EFEDRP N#CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000731212077 726823298 /nfs/dbraw/zinc/82/32/98/726823298.db2.gz QZPXGOGFCABINU-UHFFFAOYSA-N 2 0 343.471 2.523 20 30 EFEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153563565 726942377 /nfs/dbraw/zinc/94/23/77/726942377.db2.gz PUOZFPQZGYRBQQ-MRXNPFEDSA-N 2 0 338.565 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993357976 727160449 /nfs/dbraw/zinc/16/04/49/727160449.db2.gz YBTFUVJLRSGJGJ-DOTOQJQBSA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498050 727283539 /nfs/dbraw/zinc/28/35/39/727283539.db2.gz DKUIFVYETCYPLZ-MAUKXSAKSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498544 727283765 /nfs/dbraw/zinc/28/37/65/727283765.db2.gz FYBWOUUHEGIBCZ-CRAIPNDOSA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994012634 727580153 /nfs/dbraw/zinc/58/01/53/727580153.db2.gz VWOMLYFCWICMIV-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201940 727622031 /nfs/dbraw/zinc/62/20/31/727622031.db2.gz INOVZAWVTILCSZ-VQIMIIECSA-N 2 0 333.520 2.654 20 30 EFEDRP C[NH+]=C(NCC(F)F)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000153892151 727665968 /nfs/dbraw/zinc/66/59/68/727665968.db2.gz VCCPADNCVCVIHK-FZMZJTMJSA-N 2 0 330.448 2.561 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994463810 727760736 /nfs/dbraw/zinc/76/07/36/727760736.db2.gz MKXFQWXCLGOGJL-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994469447 727762701 /nfs/dbraw/zinc/76/27/01/727762701.db2.gz JIKXNVRTZZXMKU-AEFFLSMTSA-N 2 0 345.487 2.727 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001040947955 728304780 /nfs/dbraw/zinc/30/47/80/728304780.db2.gz JVFANHOOWCVLKT-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](C)C1 ZINC000942179514 728351654 /nfs/dbraw/zinc/35/16/54/728351654.db2.gz BHFTUECDFHVXLX-DOTOQJQBSA-N 2 0 332.492 2.719 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000170910311 728494537 /nfs/dbraw/zinc/49/45/37/728494537.db2.gz OUFHACIHHIHOHD-KRWDZBQOSA-N 2 0 332.492 2.610 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829548 728529802 /nfs/dbraw/zinc/52/98/02/728529802.db2.gz PQKQPSSWDZLAPJ-RBUKOAKNSA-N 2 0 333.520 2.586 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040911570 729105991 /nfs/dbraw/zinc/10/59/91/729105991.db2.gz GABLJTKIWSWZLX-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001571039568 1086652691 /nfs/dbraw/zinc/65/26/91/1086652691.db2.gz UGBURWDWZMSGHE-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001571039570 1086653309 /nfs/dbraw/zinc/65/33/09/1086653309.db2.gz UGBURWDWZMSGHE-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[C@]1(C(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)CCC[NH2+]1 ZINC001574516930 1088018553 /nfs/dbraw/zinc/01/85/53/1088018553.db2.gz KGBICFBCPZKZJO-PZJWPPBQSA-N 2 0 341.499 2.721 20 30 EFEDRP C#CCCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574545754 1088021411 /nfs/dbraw/zinc/02/14/11/1088021411.db2.gz VHIYMFDGWCOZQL-GOSISDBHSA-N 2 0 343.519 2.582 20 30 EFEDRP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001574836109 1088113963 /nfs/dbraw/zinc/11/39/63/1088113963.db2.gz UYPRXNNQBZBDMI-IRXDYDNUSA-N 2 0 346.523 2.589 20 30 EFEDRP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001574835731 1088114025 /nfs/dbraw/zinc/11/40/25/1088114025.db2.gz FLBGZMZBUCHIKO-OALUTQOASA-N 2 0 332.492 2.611 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849783 1088119245 /nfs/dbraw/zinc/11/92/45/1088119245.db2.gz QUTMHMMOCFHDNW-ZWKOTPCHSA-N 2 0 349.906 2.968 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892412 1088141528 /nfs/dbraw/zinc/14/15/28/1088141528.db2.gz CSITVFMKWQUNLP-HFSMHLIXSA-N 2 0 341.499 2.569 20 30 EFEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892438 1088142519 /nfs/dbraw/zinc/14/25/19/1088142519.db2.gz DQVZLTUDPMODEM-HFSMHLIXSA-N 2 0 341.499 2.712 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574902029 1088144057 /nfs/dbraw/zinc/14/40/57/1088144057.db2.gz ZDEPVUHIQVSMBJ-RTBURBONSA-N 2 0 329.488 2.793 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001574903977 1088147729 /nfs/dbraw/zinc/14/77/29/1088147729.db2.gz YVVBGQKPWFETQP-NEWSRXKRSA-N 2 0 329.488 2.697 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC001574933308 1088160492 /nfs/dbraw/zinc/16/04/92/1088160492.db2.gz PAUNKLDBXPPOID-OAHLLOKOSA-N 2 0 335.517 2.583 20 30 EFEDRP CC[C@@H](C#N)Oc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC ZINC001647474442 1089464700 /nfs/dbraw/zinc/46/47/00/1089464700.db2.gz SBEMFXGWPGGKNJ-KRWDZBQOSA-N 2 0 331.460 2.808 20 30 EFEDRP Cn1cc(C[NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccc(C#N)cc2)n1 ZINC001579964974 1090733627 /nfs/dbraw/zinc/73/36/27/1090733627.db2.gz VYMVHFRIZBEAFW-XGSMCBPESA-N 2 0 349.482 2.969 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc(C[NH3+])c2)CC1 ZINC001580079934 1090765955 /nfs/dbraw/zinc/76/59/55/1090765955.db2.gz JBKYHULUDKSDAT-UHFFFAOYSA-N 2 0 336.439 2.892 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001104421456 1092946848 /nfs/dbraw/zinc/94/68/48/1092946848.db2.gz VGPWKPITARXDBQ-IAGOWNOFSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075453771 1093038298 /nfs/dbraw/zinc/03/82/98/1093038298.db2.gz AUAHHBWXJGSXIW-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457534 1093194994 /nfs/dbraw/zinc/19/49/94/1093194994.db2.gz VKWWYJCBLJNVPO-GOSISDBHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112515244 1093196529 /nfs/dbraw/zinc/19/65/29/1093196529.db2.gz ZTVDMSXFZMXVOY-DYXWJJEUSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458539 1093228797 /nfs/dbraw/zinc/22/87/97/1093228797.db2.gz JFYUSPUMSQQDBZ-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458833 1093237683 /nfs/dbraw/zinc/23/76/83/1093237683.db2.gz QJCHRIIOBBUFIW-ICSRJNTNSA-N 2 0 347.547 2.691 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452253 1093291556 /nfs/dbraw/zinc/29/15/56/1093291556.db2.gz HMNIYNXWVHDYEH-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001104452492 1093292938 /nfs/dbraw/zinc/29/29/38/1093292938.db2.gz MHDFEEUTAPVZRW-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452386 1093293191 /nfs/dbraw/zinc/29/31/91/1093293191.db2.gz JZVRBVJPNVMITO-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461460 1093319597 /nfs/dbraw/zinc/31/95/97/1093319597.db2.gz HVELORPUXYXSHE-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461641 1093325687 /nfs/dbraw/zinc/32/56/87/1093325687.db2.gz NJDXSVVNHBADHH-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001075461747 1093328771 /nfs/dbraw/zinc/32/87/71/1093328771.db2.gz QFGCQUNUXYFLDI-GOSISDBHSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482629 1093521142 /nfs/dbraw/zinc/52/11/42/1093521142.db2.gz ZUQSRUCUNDAQFS-GDBMZVCRSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211615819 1094310676 /nfs/dbraw/zinc/31/06/76/1094310676.db2.gz IAFJHVUQIVFPPD-RBUKOAKNSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595021 1094386918 /nfs/dbraw/zinc/38/69/18/1094386918.db2.gz GJSUJLILPMNGPL-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001112518265 1094564774 /nfs/dbraw/zinc/56/47/74/1094564774.db2.gz ZSFFHXJOLPVJEP-PXNSSMCTSA-N 2 0 345.487 2.749 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682102 1094616364 /nfs/dbraw/zinc/61/63/64/1094616364.db2.gz AYZZDQGNFBSJHE-GDBMZVCRSA-N 2 0 343.943 2.791 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001104682537 1094627384 /nfs/dbraw/zinc/62/73/84/1094627384.db2.gz UXXLNMFCXIEGBG-YLJYHZDGSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529882 1094762844 /nfs/dbraw/zinc/76/28/44/1094762844.db2.gz TUGVGQRRRNJTSB-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112530009 1094772693 /nfs/dbraw/zinc/77/26/93/1094772693.db2.gz ZAHZWGBSHVOPEL-BJLQDIEVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531698 1095094213 /nfs/dbraw/zinc/09/42/13/1095094213.db2.gz MNMLEFZHUONNGD-PXNSSMCTSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421015 1095119158 /nfs/dbraw/zinc/11/91/58/1095119158.db2.gz YSTNHPOYDSPNCW-GJZGRUSLSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301452 1095133439 /nfs/dbraw/zinc/13/34/39/1095133439.db2.gz CLXTYVOPICUUEX-KZNAEPCWSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001087303006 1095161323 /nfs/dbraw/zinc/16/13/23/1095161323.db2.gz FCMFBYRPJWQFHX-BPQIPLTHSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ccnc3C(C)C)C(C)(C)[C@H]21 ZINC001087306354 1095192408 /nfs/dbraw/zinc/19/24/08/1095192408.db2.gz HUNZQHDDYJMFLL-NJAFHUGGSA-N 2 0 344.503 2.798 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087307119 1095198935 /nfs/dbraw/zinc/19/89/35/1095198935.db2.gz UICOPCYIGXLROI-YZGWKJHDSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311792 1095253900 /nfs/dbraw/zinc/25/39/00/1095253900.db2.gz URUGWKUZXGPZAQ-QRVBRYPASA-N 2 0 347.547 2.898 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001104777778 1095837026 /nfs/dbraw/zinc/83/70/26/1095837026.db2.gz TWDQOOQOMXMDFT-GVDBMIGSSA-N 2 0 332.492 2.629 20 30 EFEDRP C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964043 1095846019 /nfs/dbraw/zinc/84/60/19/1095846019.db2.gz SVZZGIJJNBZFLD-UHFFFAOYSA-N 2 0 329.488 2.515 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711497 1096252245 /nfs/dbraw/zinc/25/22/45/1096252245.db2.gz JKMNAROALWMYLN-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713854 1096308816 /nfs/dbraw/zinc/30/88/16/1096308816.db2.gz WCGXIKLQXZUDLY-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729590 1096608571 /nfs/dbraw/zinc/60/85/71/1096608571.db2.gz DJQRPSASDCFACS-VQTJNVASSA-N 2 0 343.515 2.877 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001481949739 1096988047 /nfs/dbraw/zinc/98/80/47/1096988047.db2.gz AJYYRZMPCSMENN-IBGZPJMESA-N 2 0 349.906 2.989 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832669 1098716920 /nfs/dbraw/zinc/71/69/20/1098716920.db2.gz NBXOEYWQMHBKSS-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167754344 1098829878 /nfs/dbraw/zinc/82/98/78/1098829878.db2.gz NKBDVJMYMFINOP-INIZCTEOSA-N 2 0 344.503 2.992 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896414 1098932315 /nfs/dbraw/zinc/93/23/15/1098932315.db2.gz XSANOOIVRXGQKF-VAMGGRTRSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913870 1099005723 /nfs/dbraw/zinc/00/57/23/1099005723.db2.gz IXOAUEDQGLZDJP-KZNAEPCWSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211663954 1099284513 /nfs/dbraw/zinc/28/45/13/1099284513.db2.gz JFAVXFORCBVQSP-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067390 1099541848 /nfs/dbraw/zinc/54/18/48/1099541848.db2.gz YPPAYMJQQZIWPV-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001105067075 1099547556 /nfs/dbraw/zinc/54/75/56/1099547556.db2.gz LTMVWXWONPWDGQ-AQNXPRMDSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673577 1099632027 /nfs/dbraw/zinc/63/20/27/1099632027.db2.gz QRDFXIOCHVRNMW-YZGWKJHDSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394210 1100398555 /nfs/dbraw/zinc/39/85/55/1100398555.db2.gz QOYJLCBBZLYYGB-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573035 1100540921 /nfs/dbraw/zinc/54/09/21/1100540921.db2.gz QRUFHUDDVFVDRY-YTQUADARSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598519 1100578185 /nfs/dbraw/zinc/57/81/85/1100578185.db2.gz MQMITUMMIHBEQA-GBESFXJTSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105396762 1100593486 /nfs/dbraw/zinc/59/34/86/1100593486.db2.gz VHLPGIYSGIFCBX-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396832 1100611454 /nfs/dbraw/zinc/61/14/54/1100611454.db2.gz XBFCDDBOMYOJID-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396833 1100611628 /nfs/dbraw/zinc/61/16/28/1100611628.db2.gz XBFCDDBOMYOJID-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634774 1100616661 /nfs/dbraw/zinc/61/66/61/1100616661.db2.gz UIJWBPQFPNNSQU-DLBZAZTESA-N 2 0 346.862 2.978 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993695 1101167321 /nfs/dbraw/zinc/16/73/21/1101167321.db2.gz YRAKYVDVYPADDP-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053215 1101250489 /nfs/dbraw/zinc/25/04/89/1101250489.db2.gz ZCKOYISYNUYHIP-AABGKKOBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385653 1101391928 /nfs/dbraw/zinc/39/19/28/1101391928.db2.gz MKRNLCJSDVLZCY-MRXNPFEDSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104311177 1101572970 /nfs/dbraw/zinc/57/29/70/1101572970.db2.gz VWGMVUJQNYOODW-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426613 1101585095 /nfs/dbraw/zinc/58/50/95/1101585095.db2.gz VNORCZFTNAEWPA-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129294 1101623647 /nfs/dbraw/zinc/62/36/47/1101623647.db2.gz GTWABIRMPLVUCY-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166894 1101730227 /nfs/dbraw/zinc/73/02/27/1101730227.db2.gz XGOKNLBXMFQUIT-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C[NH2+]Cc1cn(-c2ncc3c(c2C#N)CCC[NH2+]C3)c2ccc(C)cc12 ZINC001167121627 1101794443 /nfs/dbraw/zinc/79/44/43/1101794443.db2.gz QZFDINFHGJHLOY-UHFFFAOYSA-N 2 0 345.450 2.961 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)cc1 ZINC001655431577 1101825928 /nfs/dbraw/zinc/82/59/28/1101825928.db2.gz RMUQVVJXRKHGDF-WOJBJXKFSA-N 2 0 332.407 2.819 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211755 1101881367 /nfs/dbraw/zinc/88/13/67/1101881367.db2.gz YLEDILMIDJSFAP-MOPGFXCFSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212659 1101888971 /nfs/dbraw/zinc/88/89/71/1101888971.db2.gz GPJCYITYOSPASC-AABGKKOBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001167167305 1101973895 /nfs/dbraw/zinc/97/38/95/1101973895.db2.gz FYHSKVYAAMMDOE-OAHLLOKOSA-N 2 0 330.476 2.672 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236273 1102112206 /nfs/dbraw/zinc/11/22/06/1102112206.db2.gz JEZJFUIWPGQJKK-QZTJIDSGSA-N 2 0 335.536 2.807 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378773 1102500204 /nfs/dbraw/zinc/50/02/04/1102500204.db2.gz FYNYAIZSIAUCRD-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287008 1102579481 /nfs/dbraw/zinc/57/94/81/1102579481.db2.gz QIBKOVMFXSAIPU-QRVBRYPASA-N 2 0 335.536 2.615 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491338 1102754872 /nfs/dbraw/zinc/75/48/72/1102754872.db2.gz QUYACYVLMMKBQW-ZVDOUQERSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388187 1102785516 /nfs/dbraw/zinc/78/55/16/1102785516.db2.gz KOTJAKRGVXACQA-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088326483 1102929854 /nfs/dbraw/zinc/92/98/54/1102929854.db2.gz QCRVLZHDWXGKEK-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330989 1102954582 /nfs/dbraw/zinc/95/45/82/1102954582.db2.gz NCYLVSIZRBBJJP-CVEARBPZSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341501 1103025387 /nfs/dbraw/zinc/02/53/87/1103025387.db2.gz JHNUQDVVZZHFOK-INIZCTEOSA-N 2 0 339.911 2.728 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001409753171 1103036514 /nfs/dbraw/zinc/03/65/14/1103036514.db2.gz GQYSSKNQNNXNLT-MRXNPFEDSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001409753166 1103036607 /nfs/dbraw/zinc/03/66/07/1103036607.db2.gz GQYSSKNQNNXNLT-INIZCTEOSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001271953507 1103228693 /nfs/dbraw/zinc/22/86/93/1103228693.db2.gz GZODLGIOARUEGH-NRFANRHFSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381279 1103336211 /nfs/dbraw/zinc/33/62/11/1103336211.db2.gz AYCOQBPMCBBJEQ-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381259 1103336442 /nfs/dbraw/zinc/33/64/42/1103336442.db2.gz AOJIWBINZJAHSW-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381280 1103336471 /nfs/dbraw/zinc/33/64/71/1103336471.db2.gz AYCOQBPMCBBJEQ-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381281 1103337060 /nfs/dbraw/zinc/33/70/60/1103337060.db2.gz AYCOQBPMCBBJEQ-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991066672 1103454634 /nfs/dbraw/zinc/45/46/34/1103454634.db2.gz JQTRDJWOZINXBY-QWFCFKBJSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430469 1103578147 /nfs/dbraw/zinc/57/81/47/1103578147.db2.gz QQCKXSDDZWSIKU-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378560 1104119338 /nfs/dbraw/zinc/11/93/38/1104119338.db2.gz WLNVRCFEJDWTJX-NHCUHLMSSA-N 2 0 348.531 2.935 20 30 EFEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379706 1104131493 /nfs/dbraw/zinc/13/14/93/1104131493.db2.gz ODFWQGAPNXNVDK-WOJBJXKFSA-N 2 0 334.504 2.687 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101522139 1104142830 /nfs/dbraw/zinc/14/28/30/1104142830.db2.gz OAHIGZSVGGEITN-MRXNPFEDSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569127 1104581976 /nfs/dbraw/zinc/58/19/76/1104581976.db2.gz HVVYMRLCQXVMEK-LMMKCTJWSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C ZINC001088631614 1105588499 /nfs/dbraw/zinc/58/84/99/1105588499.db2.gz WUFRJHFCCDNCCG-HOJAQTOUSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518085 1105864545 /nfs/dbraw/zinc/86/45/45/1105864545.db2.gz QKCBDEAVWNHVHY-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542074 1105899872 /nfs/dbraw/zinc/89/98/72/1105899872.db2.gz OMMQNIPQAVRQBR-IBGZPJMESA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542593 1105900701 /nfs/dbraw/zinc/90/07/01/1105900701.db2.gz YEVMBGBDZVGEAO-LJQANCHMSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536923 1105905612 /nfs/dbraw/zinc/90/56/12/1105905612.db2.gz KUFAEEUSUZBTRM-MOPGFXCFSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105574871 1105960488 /nfs/dbraw/zinc/96/04/88/1105960488.db2.gz KRDIWHMRMXJTSL-GOSISDBHSA-N 2 0 345.531 2.799 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989451648 1106212989 /nfs/dbraw/zinc/21/29/89/1106212989.db2.gz JJVZUYIGZRBCTP-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989774821 1106646742 /nfs/dbraw/zinc/64/67/42/1106646742.db2.gz GXARNZHHMZHRRZ-UHFFFAOYSA-N 2 0 333.476 2.845 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825855 1106699878 /nfs/dbraw/zinc/69/98/78/1106699878.db2.gz KDZNMRMLNQOJOE-RHSMWYFYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168320855 1106715864 /nfs/dbraw/zinc/71/58/64/1106715864.db2.gz SZPYLPUPGWJRNG-UHFFFAOYSA-N 2 0 329.488 2.814 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040243814 1106723287 /nfs/dbraw/zinc/72/32/87/1106723287.db2.gz BVMIRSLUWWUJGG-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040243812 1106723406 /nfs/dbraw/zinc/72/34/06/1106723406.db2.gz BVMIRSLUWWUJGG-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060652 1107384149 /nfs/dbraw/zinc/38/41/49/1107384149.db2.gz ZHDJFJNEADUWLR-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106412 1107500157 /nfs/dbraw/zinc/50/01/57/1107500157.db2.gz FLBYNCCDIFMFBL-QZTJIDSGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040387208 1107719691 /nfs/dbraw/zinc/71/96/91/1107719691.db2.gz BHFVUGSSNHQGCW-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1C[NH3+])C(C)C ZINC000904663817 1108101835 /nfs/dbraw/zinc/10/18/35/1108101835.db2.gz DEEDVFWKYWDFNK-SFHVURJKSA-N 2 0 330.476 2.965 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036677 1108599815 /nfs/dbraw/zinc/59/98/15/1108599815.db2.gz YHBWWVAUFJLKRX-JCYILVPMSA-N 2 0 341.927 2.734 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001168455031 1108660918 /nfs/dbraw/zinc/66/09/18/1108660918.db2.gz RJJCSWUUTXRKEO-UHFFFAOYSA-N 2 0 345.487 2.634 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769748 1108726888 /nfs/dbraw/zinc/72/68/88/1108726888.db2.gz BJBCVNYYJVSSQG-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076626930 1109970046 /nfs/dbraw/zinc/97/00/46/1109970046.db2.gz CWJJCQNNOJMPMT-FUHWJXTLSA-N 2 0 345.487 2.844 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106353915 1111448916 /nfs/dbraw/zinc/44/89/16/1111448916.db2.gz GZBZIYQOKIFURO-GDBMZVCRSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106354396 1111449314 /nfs/dbraw/zinc/44/93/14/1111449314.db2.gz YOZHEJCCMAIAQX-GDBMZVCRSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106354132 1111449344 /nfs/dbraw/zinc/44/93/44/1111449344.db2.gz NGBPPYCXJWJDJG-NVXWUHKLSA-N 2 0 340.471 2.907 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106571396 1111638801 /nfs/dbraw/zinc/63/88/01/1111638801.db2.gz YMZLDXKFZVJKAT-DJIMGWMZSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099240942 1111682648 /nfs/dbraw/zinc/68/26/48/1111682648.db2.gz WIIMUBWAKDYTGA-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729618 1111771795 /nfs/dbraw/zinc/77/17/95/1111771795.db2.gz VKLYKZKFZXKHNL-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001106884748 1111949119 /nfs/dbraw/zinc/94/91/19/1111949119.db2.gz MXSAKVSFHXIDTK-BRWVUGGUSA-N 2 0 344.503 2.800 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386652 1112048268 /nfs/dbraw/zinc/04/82/68/1112048268.db2.gz RXVNZAOMNLDXLE-RBUKOAKNSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386303 1112049903 /nfs/dbraw/zinc/04/99/03/1112049903.db2.gz OHKOKHJPEXABHN-ROUUACIJSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389019 1112055055 /nfs/dbraw/zinc/05/50/55/1112055055.db2.gz JLITUJNGZWIDFG-KZNAEPCWSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392042 1112058268 /nfs/dbraw/zinc/05/82/68/1112058268.db2.gz RFSZVDVRRSLYFK-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398722 1112067026 /nfs/dbraw/zinc/06/70/26/1112067026.db2.gz LWCGUBWIRHZONA-INIZCTEOSA-N 2 0 347.528 2.663 20 30 EFEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406591 1112078492 /nfs/dbraw/zinc/07/84/92/1112078492.db2.gz NXXBBWAYTFXTTP-MJGOQNOKSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423354 1112107665 /nfs/dbraw/zinc/10/76/65/1112107665.db2.gz ILILBRUQIYKFRA-DLBZAZTESA-N 2 0 344.503 2.628 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429713 1112119851 /nfs/dbraw/zinc/11/98/51/1112119851.db2.gz DWOFWZYKGXTQHO-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430124 1112120942 /nfs/dbraw/zinc/12/09/42/1112120942.db2.gz IFXBXEKNESVTHZ-KRWDZBQOSA-N 2 0 338.455 2.578 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089431069 1112123800 /nfs/dbraw/zinc/12/38/00/1112123800.db2.gz YEOYTKGJTHULSS-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089471773 1112196198 /nfs/dbraw/zinc/19/61/98/1112196198.db2.gz ABFPOAYKONROGY-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089475508 1112197617 /nfs/dbraw/zinc/19/76/17/1112197617.db2.gz BSHIZVYSHONNGC-INIZCTEOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486536 1112221195 /nfs/dbraw/zinc/22/11/95/1112221195.db2.gz ACGMLMTZSZQOCS-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509073 1112251475 /nfs/dbraw/zinc/25/14/75/1112251475.db2.gz DSFBSCDHSYWMNW-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511355 1112255482 /nfs/dbraw/zinc/25/54/82/1112255482.db2.gz RJROUOONIJKPPE-RTBURBONSA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510307 1112260327 /nfs/dbraw/zinc/26/03/27/1112260327.db2.gz QMWLSTUUEHBBNB-RBUKOAKNSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527419 1112271293 /nfs/dbraw/zinc/27/12/93/1112271293.db2.gz PBHKDGRVEQNXQW-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534037 1112279919 /nfs/dbraw/zinc/27/99/19/1112279919.db2.gz NBYRBBWECNLACV-IBGZPJMESA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641274 1112432609 /nfs/dbraw/zinc/43/26/09/1112432609.db2.gz KLBYCDNZANQINE-RBUKOAKNSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089640284 1112433004 /nfs/dbraw/zinc/43/30/04/1112433004.db2.gz DWBZAGYMNWECFJ-MSOLQXFVSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649642 1112478667 /nfs/dbraw/zinc/47/86/67/1112478667.db2.gz MECDDRGOINDOJM-OALUTQOASA-N 2 0 347.547 2.594 20 30 EFEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656357 1112565409 /nfs/dbraw/zinc/56/54/09/1112565409.db2.gz HFQBZENONCJJDE-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCSCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180141982 1112878855 /nfs/dbraw/zinc/87/88/55/1112878855.db2.gz LRICRVGKJXJMGY-UHFFFAOYSA-N 2 0 337.920 2.548 20 30 EFEDRP C=CCOc1ccc(-c2noc(C[NH2+]CC3CC[NH2+]CC3)n2)c(F)c1 ZINC001212320329 1112997257 /nfs/dbraw/zinc/99/72/57/1112997257.db2.gz CYFVOCUIVGRULN-UHFFFAOYSA-N 2 0 346.406 2.530 20 30 EFEDRP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001272691770 1117784318 /nfs/dbraw/zinc/78/43/18/1117784318.db2.gz NMCYAEAHRPZQLA-LPHOPBHVSA-N 2 0 329.488 2.563 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820456 1117877727 /nfs/dbraw/zinc/87/77/27/1117877727.db2.gz MRAMZYJSNPGDDG-RDGPPVDQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCCn2ccnc2)CC1 ZINC001272700623 1118533150 /nfs/dbraw/zinc/53/31/50/1118533150.db2.gz ZLXFDGCMNPOVML-GOSISDBHSA-N 2 0 344.503 2.848 20 30 EFEDRP C=CCCCCCC[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001272700995 1118602422 /nfs/dbraw/zinc/60/24/22/1118602422.db2.gz AYKCVYCWJVNFGF-GOSISDBHSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099497837 1118621306 /nfs/dbraw/zinc/62/13/06/1118621306.db2.gz QRYASBHUIMOQKA-MANSERQUSA-N 2 0 347.547 2.852 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@@H+](C)CC ZINC001099497838 1118621397 /nfs/dbraw/zinc/62/13/97/1118621397.db2.gz QRYASBHUIMOQKA-OKYOBFRVSA-N 2 0 347.547 2.852 20 30 EFEDRP C=CCCCCCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272710429 1118779487 /nfs/dbraw/zinc/77/94/87/1118779487.db2.gz WVRGAMSSXKXABD-HXUWFJFHSA-N 2 0 335.536 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942529956 1118930303 /nfs/dbraw/zinc/93/03/03/1118930303.db2.gz OFORLHKJPPXEHM-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942722894 1119086562 /nfs/dbraw/zinc/08/65/62/1119086562.db2.gz PQNGBDQAYXSGFI-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514430 1119529705 /nfs/dbraw/zinc/52/97/05/1119529705.db2.gz CEXPQNGMBFOXIK-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030540 1119819113 /nfs/dbraw/zinc/81/91/13/1119819113.db2.gz KYYUSHUDAKBJSV-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107035538 1120005224 /nfs/dbraw/zinc/00/52/24/1120005224.db2.gz LPJZKCKWCNVFCN-SJLPKXTDSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553871 1120163378 /nfs/dbraw/zinc/16/33/78/1120163378.db2.gz NTVDHWIANPVIMB-HZPDHXFCSA-N 2 0 327.900 2.536 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000181418305 234178533 /nfs/dbraw/zinc/17/85/33/234178533.db2.gz HPYVRRSGNMWPDY-UHFFFAOYSA-N 2 0 340.515 2.988 20 30 EFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422986953 283214981 /nfs/dbraw/zinc/21/49/81/283214981.db2.gz HPVCYVQVVHDLLC-GBESFXJTSA-N 2 0 345.512 2.538 20 30 EFEDRP C[NH+]=C(NC1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262482553 240356427 /nfs/dbraw/zinc/35/64/27/240356427.db2.gz RUUMAWFNQOHFRO-HXUWFJFHSA-N 2 0 326.488 2.712 20 30 EFEDRP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1F ZINC000262683033 240363824 /nfs/dbraw/zinc/36/38/24/240363824.db2.gz XCCPFVJYLXASRJ-XJKSGUPXSA-N 2 0 336.842 2.542 20 30 EFEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000192834295 240067502 /nfs/dbraw/zinc/06/75/02/240067502.db2.gz JRVKEQHTBPPKSC-OALUTQOASA-N 2 0 327.472 2.815 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248482437 240291234 /nfs/dbraw/zinc/29/12/34/240291234.db2.gz CARDFRAUYJKCKO-VQIMIIECSA-N 2 0 329.488 2.828 20 30 EFEDRP C=CCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248482436 240291682 /nfs/dbraw/zinc/29/16/82/240291682.db2.gz CARDFRAUYJKCKO-QFBILLFUSA-N 2 0 329.488 2.828 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261793612 240324612 /nfs/dbraw/zinc/32/46/12/240324612.db2.gz QRBSFPXRSSTTMP-DLBZAZTESA-N 2 0 340.581 2.756 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C)CC1 ZINC000262013828 240338861 /nfs/dbraw/zinc/33/88/61/240338861.db2.gz VGAARZFQMLUMBU-OAHLLOKOSA-N 2 0 346.475 2.695 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C)CC1 ZINC000262013823 240340364 /nfs/dbraw/zinc/34/03/64/240340364.db2.gz VGAARZFQMLUMBU-HNNXBMFYSA-N 2 0 346.475 2.695 20 30 EFEDRP [NH2+]=C(NC[C@H]1CCCCS1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262232563 240344338 /nfs/dbraw/zinc/34/43/38/240344338.db2.gz MMFBYUIQUBJWKL-GOSISDBHSA-N 2 0 346.544 2.841 20 30 EFEDRP CSC1(C[NH+]=C(NCc2ccccc2)N(C)C)CC[NH+](C)CC1 ZINC000262330755 240347388 /nfs/dbraw/zinc/34/73/88/240347388.db2.gz UYHXXAGIOLXBKH-UHFFFAOYSA-N 2 0 334.533 2.521 20 30 EFEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC000350476917 241883216 /nfs/dbraw/zinc/88/32/16/241883216.db2.gz KUUNMQOAUGITHM-UHFFFAOYSA-N 2 0 341.499 2.684 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354543653 242004940 /nfs/dbraw/zinc/00/49/40/242004940.db2.gz XWKFINNMQGCBGD-YSIASYRMSA-N 2 0 346.515 2.959 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521151 242123624 /nfs/dbraw/zinc/12/36/24/242123624.db2.gz XDVCKKDSAWMUGW-MRXNPFEDSA-N 2 0 347.528 2.727 20 30 EFEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000361459952 242223257 /nfs/dbraw/zinc/22/32/57/242223257.db2.gz OOMPRLFGNVHSGA-MJGOQNOKSA-N 2 0 345.487 2.816 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414345871 244098131 /nfs/dbraw/zinc/09/81/31/244098131.db2.gz UAMIXEXGGNKSNS-MRXNPFEDSA-N 2 0 329.488 2.828 20 30 EFEDRP C=CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735778 244316163 /nfs/dbraw/zinc/31/61/63/244316163.db2.gz GZSTUNKSLGNEAZ-BRWVUGGUSA-N 2 0 340.475 2.599 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417059155 245001416 /nfs/dbraw/zinc/00/14/16/245001416.db2.gz HKXWSWCRADZBNQ-KZNAEPCWSA-N 2 0 336.524 2.502 20 30 EFEDRP CCN1CCO[C@@H](CNc2cc(C)ncc2C#N)[C@@H]1c1ccccc1 ZINC000425255339 247017605 /nfs/dbraw/zinc/01/76/05/247017605.db2.gz PEZAHVGOIPWDNF-PMACEKPBSA-N 2 0 336.439 2.558 20 30 EFEDRP N#C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000442708342 250104374 /nfs/dbraw/zinc/10/43/74/250104374.db2.gz FYQUBVVILRTBKB-SFTDATJTSA-N 2 0 340.515 2.866 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304494286 296310634 /nfs/dbraw/zinc/31/06/34/296310634.db2.gz PAWDYSLQYABYNV-WBVHZDCISA-N 2 0 330.476 2.679 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000422966825 285665213 /nfs/dbraw/zinc/66/52/13/285665213.db2.gz ATPIFWMHAPKZRB-GJZGRUSLSA-N 2 0 329.444 2.530 20 30 EFEDRP CCCC[N@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344076848 145362741 /nfs/dbraw/zinc/36/27/41/145362741.db2.gz PNHOKBXMRIFGOH-UHFFFAOYSA-N 2 0 328.504 2.844 20 30 EFEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000348836905 146010902 /nfs/dbraw/zinc/01/09/02/146010902.db2.gz FJYGYVODCHKMKA-UHFFFAOYSA-N 2 0 344.478 2.547 20 30 EFEDRP C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000360841550 148466552 /nfs/dbraw/zinc/46/65/52/148466552.db2.gz SDQVCLJICFPURP-OXQOHEQNSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248192 151308141 /nfs/dbraw/zinc/30/81/41/151308141.db2.gz AKSUWCIBYMGSJS-UTKZUKDTSA-N 2 0 334.467 2.996 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421728 151344405 /nfs/dbraw/zinc/34/44/05/151344405.db2.gz PFUXUTHLIUNEHE-YZGWKJHDSA-N 2 0 343.471 2.511 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138769 287276573 /nfs/dbraw/zinc/27/65/73/287276573.db2.gz UVHDVZLVZLPXIN-VQIMIIECSA-N 2 0 342.487 2.698 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000272760495 266374223 /nfs/dbraw/zinc/37/42/23/266374223.db2.gz PHNAPRZIVQIBQQ-LJQANCHMSA-N 2 0 339.414 2.554 20 30 EFEDRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000273240347 266471095 /nfs/dbraw/zinc/47/10/95/266471095.db2.gz QCTNZRYNCHVODR-INIZCTEOSA-N 2 0 344.503 2.615 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271895373 267180279 /nfs/dbraw/zinc/18/02/79/267180279.db2.gz SZTQQLUTAWQWNE-YSSFQJQWSA-N 2 0 327.472 2.977 20 30 EFEDRP C[N@H+](CCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000453413853 267305140 /nfs/dbraw/zinc/30/51/40/267305140.db2.gz WNZPGOSPVGSADI-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000278886367 267595680 /nfs/dbraw/zinc/59/56/80/267595680.db2.gz YGTWUSMGRTWWPQ-FQEVSTJZSA-N 2 0 328.504 2.873 20 30 EFEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449176528 277165675 /nfs/dbraw/zinc/16/56/75/277165675.db2.gz NBBAHINUIXSHFF-UHFFFAOYSA-N 2 0 348.535 2.675 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000422966826 279528959 /nfs/dbraw/zinc/52/89/59/279528959.db2.gz ATPIFWMHAPKZRB-HUUCEWRRSA-N 2 0 329.444 2.530 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000564827930 318896784 /nfs/dbraw/zinc/89/67/84/318896784.db2.gz AADZHPXFJPQQSC-LEWJYISDSA-N 2 0 338.499 2.500 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316034 319753893 /nfs/dbraw/zinc/75/38/93/319753893.db2.gz XSRJYWZDJPBPOJ-QGPMSJSTSA-N 2 0 330.451 2.644 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577326795 320098866 /nfs/dbraw/zinc/09/88/66/320098866.db2.gz QWXCMSCMQYANJL-GOSISDBHSA-N 2 0 326.488 2.847 20 30 EFEDRP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000580541207 324184004 /nfs/dbraw/zinc/18/40/04/324184004.db2.gz NYYCFUBCNNLQQQ-IWCVFHTOSA-N 2 0 328.460 2.763 20 30 EFEDRP Clc1ccc(C#CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000177110672 473308928 /nfs/dbraw/zinc/30/89/28/473308928.db2.gz JDPRGJFSGJFJBH-UHFFFAOYSA-N 2 0 332.875 2.736 20 30 EFEDRP CC(C)(CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000083029907 473314837 /nfs/dbraw/zinc/31/48/37/473314837.db2.gz JMLRYQPHPMZXKT-INIZCTEOSA-N 2 0 330.476 2.679 20 30 EFEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031834 473316339 /nfs/dbraw/zinc/31/63/39/473316339.db2.gz FYNMSRWVRCHVPD-FUHWJXTLSA-N 2 0 344.503 2.927 20 30 EFEDRP CC(C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083037734 473317932 /nfs/dbraw/zinc/31/79/32/473317932.db2.gz FGTCSMAHNMSCGR-IAGOWNOFSA-N 2 0 330.476 2.535 20 30 EFEDRP C[NH+]1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113336320 473386485 /nfs/dbraw/zinc/38/64/85/473386485.db2.gz WGKVRDKQULHSRY-UHFFFAOYSA-N 2 0 337.471 2.895 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000067232838 472009527 /nfs/dbraw/zinc/00/95/27/472009527.db2.gz UVFNKJOOLLIICB-UHFFFAOYSA-N 2 0 339.483 2.609 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000057126794 472384013 /nfs/dbraw/zinc/38/40/13/472384013.db2.gz REFIFDDDTJHYFL-UHFFFAOYSA-N 2 0 345.531 2.637 20 30 EFEDRP C#Cc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000077201336 472471385 /nfs/dbraw/zinc/47/13/85/472471385.db2.gz RFXARVIUBZMWOZ-LJQANCHMSA-N 2 0 342.487 2.548 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776064 472608826 /nfs/dbraw/zinc/60/88/26/472608826.db2.gz CKTUSEMUSJQOFS-MOPGFXCFSA-N 2 0 348.535 2.565 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000130831560 472630492 /nfs/dbraw/zinc/63/04/92/472630492.db2.gz UXBFRELBQVITQT-OAHLLOKOSA-N 2 0 334.464 2.551 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC[C@@H]1CCCC[NH+]1C ZINC000072759286 472711958 /nfs/dbraw/zinc/71/19/58/472711958.db2.gz PLATXBMRLQEUKA-SFHVURJKSA-N 2 0 328.460 2.693 20 30 EFEDRP COc1cc(C#N)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000121106442 472799555 /nfs/dbraw/zinc/79/95/55/472799555.db2.gz JENYWLDXJYXEDC-UHFFFAOYSA-N 2 0 343.471 2.644 20 30 EFEDRP C[NH+]1CCC(C#N)(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000073454979 472813931 /nfs/dbraw/zinc/81/39/31/472813931.db2.gz DLMNVKLIWIBDFR-UHFFFAOYSA-N 2 0 335.411 2.543 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000079304536 472847223 /nfs/dbraw/zinc/84/72/23/472847223.db2.gz KLHQEIWCXPLTTA-BZSNNMDCSA-N 2 0 343.515 2.945 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492190 472873812 /nfs/dbraw/zinc/87/38/12/472873812.db2.gz HTPJGJXTQMZLOQ-FQEVSTJZSA-N 2 0 346.515 2.819 20 30 EFEDRP C#CCCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000134109687 472876272 /nfs/dbraw/zinc/87/62/72/472876272.db2.gz GZOZIMGSPBJHGF-UHFFFAOYSA-N 2 0 342.483 2.633 20 30 EFEDRP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121834173 472926256 /nfs/dbraw/zinc/92/62/56/472926256.db2.gz OGRTUURRBZEKIR-FQEVSTJZSA-N 2 0 348.535 2.629 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923962 472990534 /nfs/dbraw/zinc/99/05/34/472990534.db2.gz HFBJEBJKLBUFKD-RLLQIKCJSA-N 2 0 325.456 2.540 20 30 EFEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000160127507 473090321 /nfs/dbraw/zinc/09/03/21/473090321.db2.gz KRECIITYRBXVKZ-DJIMGWMZSA-N 2 0 330.451 2.738 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160157780 473092786 /nfs/dbraw/zinc/09/27/86/473092786.db2.gz HBMBVPJPKBWBAI-LFEHRJTNSA-N 2 0 344.478 2.984 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000066704200 473140971 /nfs/dbraw/zinc/14/09/71/473140971.db2.gz JEFYCGFQJQGBHV-GOSISDBHSA-N 2 0 336.524 2.591 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185782257 473512404 /nfs/dbraw/zinc/51/24/04/473512404.db2.gz NWNVBBBTDGFPTC-NQIIRXRSSA-N 2 0 340.515 2.996 20 30 EFEDRP C#CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000172116519 473526761 /nfs/dbraw/zinc/52/67/61/473526761.db2.gz LCGFZCZYAZKKTF-HDICACEKSA-N 2 0 330.472 2.678 20 30 EFEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000172116526 473527381 /nfs/dbraw/zinc/52/73/81/473527381.db2.gz LCGFZCZYAZKKTF-QZTJIDSGSA-N 2 0 330.472 2.678 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCCC1 ZINC000263261720 473745702 /nfs/dbraw/zinc/74/57/02/473745702.db2.gz SXEQRMILVCVNGR-UHFFFAOYSA-N 2 0 346.475 2.839 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281770507 473831408 /nfs/dbraw/zinc/83/14/08/473831408.db2.gz MFJONPILQGOSLZ-UHFFFAOYSA-N 2 0 345.535 2.564 20 30 EFEDRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180280505 473845897 /nfs/dbraw/zinc/84/58/97/473845897.db2.gz AYJIUBMWQKMDNR-MOPGFXCFSA-N 2 0 337.471 2.921 20 30 EFEDRP C#CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000274584082 473883795 /nfs/dbraw/zinc/88/37/95/473883795.db2.gz IFOBEVJNLSSXBP-LEWJYISDSA-N 2 0 349.478 2.760 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000264078113 473948166 /nfs/dbraw/zinc/94/81/66/473948166.db2.gz GJWXTJMVNOQXSY-UHFFFAOYSA-N 2 0 338.455 2.870 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NCc1ccccc1C[N@H+](C)C(C)C ZINC000264081340 473948230 /nfs/dbraw/zinc/94/82/30/473948230.db2.gz ULZKRVRTHSXQFZ-UHFFFAOYSA-N 2 0 328.460 2.985 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000264106081 473950060 /nfs/dbraw/zinc/95/00/60/473950060.db2.gz NUXKCFQIRGUSMJ-HNNXBMFYSA-N 2 0 334.464 2.551 20 30 EFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000264106092 473950515 /nfs/dbraw/zinc/95/05/15/473950515.db2.gz NWCNRHYMMRWVLQ-IBGZPJMESA-N 2 0 345.535 2.809 20 30 EFEDRP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000264131850 473952077 /nfs/dbraw/zinc/95/20/77/473952077.db2.gz UCCMQOYZPYGGDM-HOTGVXAUSA-N 2 0 332.492 2.500 20 30 EFEDRP CCCCNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264131858 473952217 /nfs/dbraw/zinc/95/22/17/473952217.db2.gz UCCMQOYZPYGGDM-IYBDPMFKSA-N 2 0 332.492 2.500 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000264125528 473952293 /nfs/dbraw/zinc/95/22/93/473952293.db2.gz SBTAKTWJZMNNFI-HZPDHXFCSA-N 2 0 332.492 2.500 20 30 EFEDRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181660084 474055618 /nfs/dbraw/zinc/05/56/18/474055618.db2.gz BTMWFSXZJRTNFZ-MRXNPFEDSA-N 2 0 331.460 2.740 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622855 474219842 /nfs/dbraw/zinc/21/98/42/474219842.db2.gz VAHXIDVIFXXFSR-IAGOWNOFSA-N 2 0 348.535 2.589 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622893 474219933 /nfs/dbraw/zinc/21/99/33/474219933.db2.gz VAHXIDVIFXXFSR-SJORKVTESA-N 2 0 348.535 2.589 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000271488534 474568216 /nfs/dbraw/zinc/56/82/16/474568216.db2.gz KAUCGNOFNWURIF-ZLGUVYLKSA-N 2 0 342.483 2.727 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000271509003 474575425 /nfs/dbraw/zinc/57/54/25/474575425.db2.gz RZELUMSTVBXUGZ-PXNSSMCTSA-N 2 0 345.487 2.816 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C(C)C ZINC000272859342 474627790 /nfs/dbraw/zinc/62/77/90/474627790.db2.gz VEBOUQHYSCMCTE-MJGOQNOKSA-N 2 0 348.535 2.635 20 30 EFEDRP CC(C)(C)NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267275918 474634940 /nfs/dbraw/zinc/63/49/40/474634940.db2.gz FWZCONWIHAPIJO-UHFFFAOYSA-N 2 0 346.519 2.761 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654385 474757764 /nfs/dbraw/zinc/75/77/64/474757764.db2.gz SSITYCIWHRWDNN-MSOLQXFVSA-N 2 0 330.472 2.850 20 30 EFEDRP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCC[NH+]1CCCC1 ZINC000337277844 474851971 /nfs/dbraw/zinc/85/19/71/474851971.db2.gz RYVNDABNJWZWPW-CQSZACIVSA-N 2 0 348.878 2.956 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000273360950 474860450 /nfs/dbraw/zinc/86/04/50/474860450.db2.gz SUILPYFIDKUDFV-AWEZNQCLSA-N 2 0 334.464 2.695 20 30 EFEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268962785 475096413 /nfs/dbraw/zinc/09/64/13/475096413.db2.gz JOEVWJDODWDZNX-NHCUHLMSSA-N 2 0 342.483 2.556 20 30 EFEDRP Cc1nc(N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)cc1C#N ZINC000292651737 475134581 /nfs/dbraw/zinc/13/45/81/475134581.db2.gz PHMMKWULVVUWDW-UHFFFAOYSA-N 2 0 337.899 2.625 20 30 EFEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059684 475161451 /nfs/dbraw/zinc/16/14/51/475161451.db2.gz YNOKTRNWBULMCL-CJNGLKHVSA-N 2 0 340.874 2.951 20 30 EFEDRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCn2cncc2C1 ZINC000329932735 475165665 /nfs/dbraw/zinc/16/56/65/475165665.db2.gz PRMCZWKDMKGTGP-ZWKOTPCHSA-N 2 0 338.455 2.924 20 30 EFEDRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)nc2)CC1 ZINC000330316108 475226102 /nfs/dbraw/zinc/22/61/02/475226102.db2.gz ZEDLYELPLKYZSU-MRXNPFEDSA-N 2 0 345.491 2.686 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCc2nccn21)C(C)C ZINC000352607253 475455425 /nfs/dbraw/zinc/45/54/25/475455425.db2.gz RBVZRVQOROERMR-DLBZAZTESA-N 2 0 330.476 2.575 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)C(C)C ZINC000339934289 475621982 /nfs/dbraw/zinc/62/19/82/475621982.db2.gz OUMHNNPPBADIST-GOSISDBHSA-N 2 0 326.444 2.763 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000352873092 475661532 /nfs/dbraw/zinc/66/15/32/475661532.db2.gz HYWYBKWPEKOLOY-DOTOQJQBSA-N 2 0 348.491 2.658 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N(CC)CC[NH+]2CCCCCC2)CC1 ZINC000352902150 475665219 /nfs/dbraw/zinc/66/52/19/475665219.db2.gz WXENNPGUBHEWPB-UHFFFAOYSA-N 2 0 336.524 2.544 20 30 EFEDRP COc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1C#N ZINC000340140145 475790702 /nfs/dbraw/zinc/79/07/02/475790702.db2.gz NOXRXOMDLGDXOY-UHFFFAOYSA-N 2 0 343.471 2.501 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413865 475948920 /nfs/dbraw/zinc/94/89/20/475948920.db2.gz QXLWJBSVQZKEST-FQEVSTJZSA-N 2 0 326.488 2.553 20 30 EFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159495 476074132 /nfs/dbraw/zinc/07/41/32/476074132.db2.gz MOTFYBWEBOFLFR-GOSISDBHSA-N 2 0 340.471 2.551 20 30 EFEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000340601535 476141687 /nfs/dbraw/zinc/14/16/87/476141687.db2.gz SUVPKRCPPGZVGI-QGZVFWFLSA-N 2 0 348.535 2.771 20 30 EFEDRP CC1CC[NH+](CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304486058 476287298 /nfs/dbraw/zinc/28/72/98/476287298.db2.gz LLAPFWOVCVMMBN-KRWDZBQOSA-N 2 0 330.476 2.537 20 30 EFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000357299683 476321363 /nfs/dbraw/zinc/32/13/63/476321363.db2.gz FUHIMOPGIBFLCY-IBGZPJMESA-N 2 0 327.472 2.991 20 30 EFEDRP N#Cc1c(F)cccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353960852 476337973 /nfs/dbraw/zinc/33/79/73/476337973.db2.gz LKIZBNXSSHQVPJ-UHFFFAOYSA-N 2 0 339.418 2.717 20 30 EFEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360839686 476419909 /nfs/dbraw/zinc/41/99/09/476419909.db2.gz IZEHPOFLJCUPTQ-NRFANRHFSA-N 2 0 340.515 2.943 20 30 EFEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162702 476458994 /nfs/dbraw/zinc/45/89/94/476458994.db2.gz OCUJWWNKEIRUIZ-QGZVFWFLSA-N 2 0 346.519 2.525 20 30 EFEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000363642744 476473143 /nfs/dbraw/zinc/47/31/43/476473143.db2.gz DWOSQRFMASVTOU-IAGOWNOFSA-N 2 0 327.472 2.879 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999542 476886481 /nfs/dbraw/zinc/88/64/81/476886481.db2.gz SPKRJHUTJRFDSK-FUHWJXTLSA-N 2 0 343.471 2.942 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415135530 476909907 /nfs/dbraw/zinc/90/99/07/476909907.db2.gz WTFYABDNYCHJMC-PMACEKPBSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CCOc1ccc(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)cc1 ZINC000423105976 476929966 /nfs/dbraw/zinc/92/99/66/476929966.db2.gz NZBHDVAQVVUIKI-MRXNPFEDSA-N 2 0 346.471 2.662 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430968156 476954067 /nfs/dbraw/zinc/95/40/67/476954067.db2.gz XGFHPGFGOXXVIF-CABCVRRESA-N 2 0 335.517 2.710 20 30 EFEDRP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423218984 476967312 /nfs/dbraw/zinc/96/73/12/476967312.db2.gz SWMJMEMSLXDMGV-LPHOPBHVSA-N 2 0 326.488 2.500 20 30 EFEDRP CC1(C)CCC[NH2+][C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423394295 477016455 /nfs/dbraw/zinc/01/64/55/477016455.db2.gz RYNJXXXRAGKAEK-HXUWFJFHSA-N 2 0 340.515 2.890 20 30 EFEDRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126026 477299193 /nfs/dbraw/zinc/29/91/93/477299193.db2.gz BAQXXDHXANEBHS-YJBOKZPZSA-N 2 0 328.460 2.878 20 30 EFEDRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424152127 477309554 /nfs/dbraw/zinc/30/95/54/477309554.db2.gz IKGJNDLHQDQSLG-MRXNPFEDSA-N 2 0 346.500 2.504 20 30 EFEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000424160147 477312793 /nfs/dbraw/zinc/31/27/93/477312793.db2.gz TUUPYKDMLMGCTQ-NZSAHSFTSA-N 2 0 342.487 2.692 20 30 EFEDRP C=CCn1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000424294673 477359977 /nfs/dbraw/zinc/35/99/77/477359977.db2.gz LIAJTCYMLDFCQW-UHFFFAOYSA-N 2 0 339.487 2.997 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000417067441 477443675 /nfs/dbraw/zinc/44/36/75/477443675.db2.gz ROONLZPYFMFBDC-KZNAEPCWSA-N 2 0 336.524 2.596 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417519771 477456285 /nfs/dbraw/zinc/45/62/85/477456285.db2.gz AVUVOBZFQOEVAL-LJQANCHMSA-N 2 0 344.503 2.759 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417541771 477456307 /nfs/dbraw/zinc/45/63/07/477456307.db2.gz ROELSCYJZXTQKF-UHFFFAOYSA-N 2 0 336.524 2.578 20 30 EFEDRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000367604453 477595836 /nfs/dbraw/zinc/59/58/36/477595836.db2.gz BOMHKQUBYVYHJY-UHFFFAOYSA-N 2 0 326.488 2.989 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000367668688 477627681 /nfs/dbraw/zinc/62/76/81/477627681.db2.gz JKTDWHPMVULRST-VQTJNVASSA-N 2 0 341.499 2.911 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090629 477669246 /nfs/dbraw/zinc/66/92/46/477669246.db2.gz WYGUQCQYCZUMHK-VRVMVEOCSA-N 2 0 342.487 2.962 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090633 477669786 /nfs/dbraw/zinc/66/97/86/477669786.db2.gz WYGUQCQYCZUMHK-ZBPHDNMCSA-N 2 0 342.487 2.962 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420328884 477698076 /nfs/dbraw/zinc/69/80/76/477698076.db2.gz NHIRRSAGIUTXMK-MSOLQXFVSA-N 2 0 329.488 2.795 20 30 EFEDRP C=CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000372420008 477795380 /nfs/dbraw/zinc/79/53/80/477795380.db2.gz FRJGXOYTHUFOHW-UYAOXDASSA-N 2 0 341.499 2.631 20 30 EFEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000558403428 477863879 /nfs/dbraw/zinc/86/38/79/477863879.db2.gz NBHDQKBIUMBUOV-KRWDZBQOSA-N 2 0 337.471 2.779 20 30 EFEDRP N#Cc1cccc(-c2nnc(CN3CCC(n4ccnc4)CC3)o2)c1 ZINC000531427034 477903949 /nfs/dbraw/zinc/90/39/49/477903949.db2.gz AOJNTNHORNXLLN-UHFFFAOYSA-N 2 0 334.383 2.642 20 30 EFEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000459794331 478097346 /nfs/dbraw/zinc/09/73/46/478097346.db2.gz UJVXTXYTSHTISN-SFHVURJKSA-N 2 0 326.488 2.849 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000579719502 478346416 /nfs/dbraw/zinc/34/64/16/478346416.db2.gz FRXSXUICOBSNRD-OAHLLOKOSA-N 2 0 335.517 2.712 20 30 EFEDRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594438943 478388510 /nfs/dbraw/zinc/38/85/10/478388510.db2.gz RCDUTFBNHWVXEH-INIZCTEOSA-N 2 0 343.475 2.542 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000562988659 478404716 /nfs/dbraw/zinc/40/47/16/478404716.db2.gz AECONDRSTCNBAN-IPMKNSEASA-N 2 0 332.488 2.617 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000581809958 478444063 /nfs/dbraw/zinc/44/40/63/478444063.db2.gz ZWZXZEPKYXHSRB-FQEVSTJZSA-N 2 0 344.499 2.619 20 30 EFEDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572051 478583034 /nfs/dbraw/zinc/58/30/34/478583034.db2.gz IRCDMDBSHUXWIA-HFDQKHQFSA-N 2 0 343.471 2.590 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951387 478957104 /nfs/dbraw/zinc/95/71/04/478957104.db2.gz MBHCHGKIFGIFCC-AGERRDQYSA-N 2 0 328.460 2.621 20 30 EFEDRP C(#CC[N@@H+]1CC[C@@H](c2ccncc2)C1)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000567246151 479104223 /nfs/dbraw/zinc/10/42/23/479104223.db2.gz GYINUVGDTJYJLO-SZPZYZBQSA-N 2 0 346.478 2.759 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000567776315 479114427 /nfs/dbraw/zinc/11/44/27/479114427.db2.gz WZNWWWOZZIBQDE-VQTJNVASSA-N 2 0 341.499 2.688 20 30 EFEDRP CC(C)CC[C@@H](CO)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000598991198 479118105 /nfs/dbraw/zinc/11/81/05/479118105.db2.gz MBYLBLUOSSIBNI-FQEVSTJZSA-N 2 0 329.488 2.909 20 30 EFEDRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316967 479291352 /nfs/dbraw/zinc/29/13/52/479291352.db2.gz DFASPPDICLCMOV-AEFFLSMTSA-N 2 0 326.488 2.500 20 30 EFEDRP C[C@@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316970 479291603 /nfs/dbraw/zinc/29/16/03/479291603.db2.gz DFASPPDICLCMOV-SJLPKXTDSA-N 2 0 326.488 2.500 20 30 EFEDRP CC[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321868 479293582 /nfs/dbraw/zinc/29/35/82/479293582.db2.gz JCBBLJIQDOCVTN-PMACEKPBSA-N 2 0 326.488 2.643 20 30 EFEDRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322627 479294905 /nfs/dbraw/zinc/29/49/05/479294905.db2.gz OGRMXBDVQJRVPD-OXQOHEQNSA-N 2 0 326.488 2.643 20 30 EFEDRP C[C@@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000593323106 479295164 /nfs/dbraw/zinc/29/51/64/479295164.db2.gz PRXFFHWWGDOVOE-UZLBHIALSA-N 2 0 326.488 2.643 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000593324709 479296642 /nfs/dbraw/zinc/29/66/42/479296642.db2.gz YSIKPKZGYVTGPF-WOJBJXKFSA-N 2 0 326.488 2.772 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(N[C@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000593324707 479296945 /nfs/dbraw/zinc/29/69/45/479296945.db2.gz YSIKPKZGYVTGPF-UXHICEINSA-N 2 0 326.488 2.772 20 30 EFEDRP COc1ccc([C@@H](CCC#N)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000574515455 479301704 /nfs/dbraw/zinc/30/17/04/479301704.db2.gz CLGJMEXPPRJHCH-HXUWFJFHSA-N 2 0 344.503 2.657 20 30 EFEDRP N#Cc1ccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000596652969 479373619 /nfs/dbraw/zinc/37/36/19/479373619.db2.gz XLJLQNRUSWYNAA-TZIWHRDSSA-N 2 0 333.435 2.946 20 30 EFEDRP C[C@@H](CCC#N)C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000602508242 479373657 /nfs/dbraw/zinc/37/36/57/479373657.db2.gz LJVYQVFPWJSNPU-AZUAARDMSA-N 2 0 328.504 2.895 20 30 EFEDRP CC(C)(O)C[NH+]1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000602511803 479376073 /nfs/dbraw/zinc/37/60/73/479376073.db2.gz KUAPYLCBCSNVIW-UHFFFAOYSA-N 2 0 347.528 2.616 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](C)CCC#N)cc2)CC1 ZINC000602512359 479376711 /nfs/dbraw/zinc/37/67/11/479376711.db2.gz AQYKIWBTZGPWEE-GOSISDBHSA-N 2 0 328.504 2.854 20 30 EFEDRP CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662053 479377456 /nfs/dbraw/zinc/37/74/56/479377456.db2.gz XKPVHOAYWAZYQX-QGZVFWFLSA-N 2 0 344.503 2.578 20 30 EFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000602515915 479377510 /nfs/dbraw/zinc/37/75/10/479377510.db2.gz DUZOMRKTLKQKMQ-QGZVFWFLSA-N 2 0 345.487 2.816 20 30 EFEDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000611465690 479386606 /nfs/dbraw/zinc/38/66/06/479386606.db2.gz CJOAOMQOXMTQPL-RHSMWYFYSA-N 2 0 330.451 2.516 20 30 EFEDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)c(F)c1 ZINC000611465687 479387079 /nfs/dbraw/zinc/38/70/79/479387079.db2.gz CJOAOMQOXMTQPL-PBHICJAKSA-N 2 0 330.451 2.516 20 30 EFEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000602583561 479409457 /nfs/dbraw/zinc/40/94/57/479409457.db2.gz ZEFIDGCPWMQNMG-QGZVFWFLSA-N 2 0 342.487 2.987 20 30 EFEDRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000618568563 479495577 /nfs/dbraw/zinc/49/55/77/479495577.db2.gz IAYOKZXEZWWGKT-IHPCNDPISA-N 2 0 326.488 2.647 20 30 EFEDRP C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061157 480182450 /nfs/dbraw/zinc/18/24/50/480182450.db2.gz BFYGYPFKRORHTM-UHFFFAOYSA-N 2 0 331.504 2.995 20 30 EFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705494 481272406 /nfs/dbraw/zinc/27/24/06/481272406.db2.gz JKJXGEJGHBQLPJ-NSHGMRRFSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000661852482 481362088 /nfs/dbraw/zinc/36/20/88/481362088.db2.gz WNMYJHDRLQOCDR-GOSISDBHSA-N 2 0 329.488 2.884 20 30 EFEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662678528 481930627 /nfs/dbraw/zinc/93/06/27/481930627.db2.gz GTQKZVBDFHHTGA-WMZOPIPTSA-N 2 0 335.517 2.946 20 30 EFEDRP CC(C)O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198867 /nfs/dbraw/zinc/19/88/67/482198867.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 2 0 336.520 2.769 20 30 EFEDRP CC(C)O[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703245 482201335 /nfs/dbraw/zinc/20/13/35/482201335.db2.gz YATLFPLSORPCPA-PMACEKPBSA-N 2 0 336.520 2.769 20 30 EFEDRP C=CC[N@H+](C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC ZINC000661242502 482387537 /nfs/dbraw/zinc/38/75/37/482387537.db2.gz BLYYGOYZHJXGTG-DLBZAZTESA-N 2 0 331.460 2.537 20 30 EFEDRP CC(C)(CCC#N)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000174245298 526997516 /nfs/dbraw/zinc/99/75/16/526997516.db2.gz DSWNOVJZUSJFNE-UHFFFAOYSA-N 2 0 328.504 2.724 20 30 EFEDRP C=CCCn1cc(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)nn1 ZINC000657416535 547154690 /nfs/dbraw/zinc/15/46/90/547154690.db2.gz VKAFZWJSWWKCJD-UHFFFAOYSA-N 2 0 331.508 2.987 20 30 EFEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000658033248 547339540 /nfs/dbraw/zinc/33/95/40/547339540.db2.gz CVJBNYOSIQSEKX-OALUTQOASA-N 2 0 335.536 2.508 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000764477037 576462830 /nfs/dbraw/zinc/46/28/30/576462830.db2.gz UHNBAELVTGLASS-UHFFFAOYSA-N 2 0 333.501 2.600 20 30 EFEDRP C#CCOc1ccccc1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000769514932 577369186 /nfs/dbraw/zinc/36/91/86/577369186.db2.gz MLXBCFLQLBVXEG-IBGZPJMESA-N 2 0 330.472 2.631 20 30 EFEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCCCc3ccccc3)cc2)CC1 ZINC000771560648 581222792 /nfs/dbraw/zinc/22/27/92/581222792.db2.gz QOQYQXFDCGNPMP-UHFFFAOYSA-N 2 0 336.483 2.995 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C#N)ccc3F)cc2)CC1 ZINC000771841794 581249484 /nfs/dbraw/zinc/24/94/84/581249484.db2.gz KVNYWMKZDLKPDW-UHFFFAOYSA-N 2 0 338.430 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753549223 1249827449 /nfs/dbraw/zinc/82/74/49/1249827449.db2.gz YZOWAGMMMNKVJS-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001752707225 1250832868 /nfs/dbraw/zinc/83/28/68/1250832868.db2.gz MVHLMPHUSCNTDO-WOJBJXKFSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752813926 1251466132 /nfs/dbraw/zinc/46/61/32/1251466132.db2.gz BWDGZVQRFFZBKL-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001752927519 1252028196 /nfs/dbraw/zinc/02/81/96/1252028196.db2.gz FKJIFZZDCOTDQB-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683659 1252160670 /nfs/dbraw/zinc/16/06/70/1252160670.db2.gz CGCMNPMWUWONFP-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001089687429 1252182826 /nfs/dbraw/zinc/18/28/26/1252182826.db2.gz JSIWVJZCOYDWDU-IAGOWNOFSA-N 2 0 344.503 2.547 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484344045 1252431650 /nfs/dbraw/zinc/43/16/50/1252431650.db2.gz LXXCCGRBDCVXMM-HIFRSBDPSA-N 2 0 346.862 2.835 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1(C)C ZINC000995825635 1254747016 /nfs/dbraw/zinc/74/70/16/1254747016.db2.gz VWLYSHLSZAUSRL-SJLPKXTDSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995903121 1254825485 /nfs/dbraw/zinc/82/54/85/1254825485.db2.gz JVCRZVSTAUPJMW-HZPDHXFCSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)CC1(C)C ZINC000995944305 1254859241 /nfs/dbraw/zinc/85/92/41/1254859241.db2.gz BGMMHMSQBVEAAK-CQSZACIVSA-N 2 0 338.883 2.506 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995990897 1254921135 /nfs/dbraw/zinc/92/11/35/1254921135.db2.gz CQPQTYFONCKAST-CVEARBPZSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996381825 1255264334 /nfs/dbraw/zinc/26/43/34/1255264334.db2.gz ZUOQFGWETKEAQU-HOTGVXAUSA-N 2 0 341.927 2.828 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098815333 1255395571 /nfs/dbraw/zinc/39/55/71/1255395571.db2.gz WHKKPYLTUOQFQX-QUCCMNQESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC000996672301 1255721446 /nfs/dbraw/zinc/72/14/46/1255721446.db2.gz DLBXILPKCWABNT-ZWKOTPCHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC000996672298 1255721509 /nfs/dbraw/zinc/72/15/09/1255721509.db2.gz DLBXILPKCWABNT-ROUUACIJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436562 1255812177 /nfs/dbraw/zinc/81/21/77/1255812177.db2.gz CSSZTQLVJQDPGL-NVXWUHKLSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442611 1255830672 /nfs/dbraw/zinc/83/06/72/1255830672.db2.gz GMGKXYCTZGAQIQ-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491950 1255989786 /nfs/dbraw/zinc/98/97/86/1255989786.db2.gz PZZWXBGAQRTAQY-IEBWSBKVSA-N 2 0 330.476 2.600 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546689 1256104871 /nfs/dbraw/zinc/10/48/71/1256104871.db2.gz LTDNOZCYZGSGQR-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997061873 1256779155 /nfs/dbraw/zinc/77/91/55/1256779155.db2.gz KIHDCWGODIOEID-MRXNPFEDSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000997092754 1256855058 /nfs/dbraw/zinc/85/50/58/1256855058.db2.gz ASQPZPGESFBAQS-NZSAHSFTSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000997127006 1257015345 /nfs/dbraw/zinc/01/53/45/1257015345.db2.gz IGRFQHVKIVITLE-WBVHZDCISA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405694 1257125443 /nfs/dbraw/zinc/12/54/43/1257125443.db2.gz OYEHBWCLYXJFSD-NEWSRXKRSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997228443 1257271372 /nfs/dbraw/zinc/27/13/72/1257271372.db2.gz KIHWVBWYIVAYGT-OAHLLOKOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000997237553 1257297756 /nfs/dbraw/zinc/29/77/56/1257297756.db2.gz IWOBRNPHSJCIPJ-QGZVFWFLSA-N 2 0 343.515 2.807 20 30 EFEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997278658 1257323485 /nfs/dbraw/zinc/32/34/85/1257323485.db2.gz IMFWKALNFASKDJ-XLIONFOSSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997384973 1257559175 /nfs/dbraw/zinc/55/91/75/1257559175.db2.gz DEJHCHIEVWRBBW-MRXNPFEDSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000997405097 1257576361 /nfs/dbraw/zinc/57/63/61/1257576361.db2.gz NUUBNZRILYYJSK-UHFFFAOYSA-N 2 0 333.476 2.892 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000997435030 1257580522 /nfs/dbraw/zinc/58/05/22/1257580522.db2.gz SXKPJHZXKQRMSY-GOSISDBHSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997583038 1258061590 /nfs/dbraw/zinc/06/15/90/1258061590.db2.gz AZOVYIPKXFDKRC-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997614064 1258116729 /nfs/dbraw/zinc/11/67/29/1258116729.db2.gz QFBPJAGCOHTTOV-PKOBYXMFSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997619080 1258122836 /nfs/dbraw/zinc/12/28/36/1258122836.db2.gz WRTGUVIGHZWJCH-PXNSSMCTSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997637531 1258140088 /nfs/dbraw/zinc/14/00/88/1258140088.db2.gz YLUINAKFAPMCKU-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997727276 1258306199 /nfs/dbraw/zinc/30/61/99/1258306199.db2.gz ZRHRRGSQBIENGJ-HKUYNNGSSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997724088 1258310568 /nfs/dbraw/zinc/31/05/68/1258310568.db2.gz IMFWKALNFASKDJ-FXAWDEMLSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC=C(C)C)CC2)CC1 ZINC000997873926 1258557976 /nfs/dbraw/zinc/55/79/76/1258557976.db2.gz HNAOITJJTPVKDZ-SFHVURJKSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032583863 1258787751 /nfs/dbraw/zinc/78/77/51/1258787751.db2.gz GEUMYKVIPRXQOD-FHWLQOOXSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047564 1259023338 /nfs/dbraw/zinc/02/33/38/1259023338.db2.gz QOQAGRRCARPPEY-IAGOWNOFSA-N 2 0 344.503 2.712 20 30 EFEDRP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998101380 1259111699 /nfs/dbraw/zinc/11/16/99/1259111699.db2.gz HOPWXNYQMPCLJS-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000998115966 1259131241 /nfs/dbraw/zinc/13/12/41/1259131241.db2.gz MFVFNORCPIAVAR-IRXDYDNUSA-N 2 0 342.487 2.556 20 30 EFEDRP C=C(C)CN1CCC2(CC[NH+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143473 1259715018 /nfs/dbraw/zinc/71/50/18/1259715018.db2.gz HSCDPFMFZPAQBE-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCN1c2ccccc2[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144461 1260171823 /nfs/dbraw/zinc/17/18/23/1260171823.db2.gz QDPRKFFMHCUJPN-LAUBAEHRSA-N 2 0 339.483 2.505 20 30 EFEDRP C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031176 1266382736 /nfs/dbraw/zinc/38/27/36/1266382736.db2.gz TVYQRQAZMIRWLG-OAQYLSRUSA-N 2 0 339.483 2.552 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001032726742 1261083514 /nfs/dbraw/zinc/08/35/14/1261083514.db2.gz QFXWVKOFRWEEKG-FHWLQOOXSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159737 1261128952 /nfs/dbraw/zinc/12/89/52/1261128952.db2.gz DUSFIZDNJDIMRE-SJLPKXTDSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946904976 1261726176 /nfs/dbraw/zinc/72/61/76/1261726176.db2.gz WVDJCRDRYIGXEH-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032799737 1261753902 /nfs/dbraw/zinc/75/39/02/1261753902.db2.gz KDSBLSPXWMIROJ-OALUTQOASA-N 2 0 327.472 2.613 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639305 1262095881 /nfs/dbraw/zinc/09/58/81/1262095881.db2.gz FDIBBVMXRHSVBY-CABCVRRESA-N 2 0 333.501 2.626 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C12CCC2 ZINC001078639308 1262096121 /nfs/dbraw/zinc/09/61/21/1262096121.db2.gz FDIBBVMXRHSVBY-LSDHHAIUSA-N 2 0 333.501 2.626 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C12CCC2 ZINC001078663957 1262148695 /nfs/dbraw/zinc/14/86/95/1262148695.db2.gz WUPDJSLQJTWKNI-QZTJIDSGSA-N 2 0 338.455 2.849 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001078711461 1262178430 /nfs/dbraw/zinc/17/84/30/1262178430.db2.gz VNWLOFXNJCMEFZ-CVEARBPZSA-N 2 0 331.460 2.548 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699980 1262178497 /nfs/dbraw/zinc/17/84/97/1262178497.db2.gz DYMMZHVVAIJOQH-HUUCEWRRSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078748843 1262268587 /nfs/dbraw/zinc/26/85/87/1262268587.db2.gz GFAAHTNQVKWLMD-ZWKOTPCHSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078786395 1262345246 /nfs/dbraw/zinc/34/52/46/1262345246.db2.gz VDTIOHXKMZOOEW-HZPDHXFCSA-N 2 0 348.878 2.531 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820659 1262365283 /nfs/dbraw/zinc/36/52/83/1262365283.db2.gz YLMQPGMKNOCQEF-ZWKOTPCHSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486220499 1262823652 /nfs/dbraw/zinc/82/36/52/1262823652.db2.gz LWDPURCLHBMXLM-YJBOKZPZSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@H]1C ZINC001082521321 1263204879 /nfs/dbraw/zinc/20/48/79/1263204879.db2.gz AVTUHKBCVYTSJA-BPLDGKMQSA-N 2 0 338.883 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084604074 1264068819 /nfs/dbraw/zinc/06/88/19/1264068819.db2.gz YUTVBXGZAMTJNZ-YZGWKJHDSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000730125014 1264210335 /nfs/dbraw/zinc/21/03/35/1264210335.db2.gz KLFYNSXMWUOOOH-UHFFFAOYSA-N 2 0 344.503 2.540 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084768062 1264347488 /nfs/dbraw/zinc/34/74/88/1264347488.db2.gz UHOXKVHCUPCHTR-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084768908 1264367838 /nfs/dbraw/zinc/36/78/38/1264367838.db2.gz JCXWITDZZRHLPQ-QFUCXCTJSA-N 2 0 341.499 2.572 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938984 1264712274 /nfs/dbraw/zinc/71/22/74/1264712274.db2.gz NRLBZPQIGLKFMD-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958360 1264763791 /nfs/dbraw/zinc/76/37/91/1264763791.db2.gz WMVWBYYESSXJFW-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083104 1266450899 /nfs/dbraw/zinc/45/08/99/1266450899.db2.gz XKTQBSCLZJWDKO-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273038550 1266533204 /nfs/dbraw/zinc/53/32/04/1266533204.db2.gz FDRRZQLEOUCKSO-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004444921 1267016346 /nfs/dbraw/zinc/01/63/46/1267016346.db2.gz CENQQWCKWBDFNO-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001085283868 1267029708 /nfs/dbraw/zinc/02/97/08/1267029708.db2.gz FBGXYBORFKLMIV-RTBURBONSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456324 1267083239 /nfs/dbraw/zinc/08/32/39/1267083239.db2.gz DLUMMOMSMFJEKK-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004457968 1267093496 /nfs/dbraw/zinc/09/34/96/1267093496.db2.gz MULUAOZGCMTARM-OALUTQOASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085306975 1267106008 /nfs/dbraw/zinc/10/60/08/1267106008.db2.gz ZKWUHBYRHBVELH-GVDBMIGSSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004480529 1267135886 /nfs/dbraw/zinc/13/58/86/1267135886.db2.gz KHEKOSOZZCBKJX-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004520959 1267211103 /nfs/dbraw/zinc/21/11/03/1267211103.db2.gz DCWGMFFXGCDNHR-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004519895 1267232830 /nfs/dbraw/zinc/23/28/30/1267232830.db2.gz FYQIPJUTGYJSPA-SFHVURJKSA-N 2 0 345.487 2.844 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540520 1267254100 /nfs/dbraw/zinc/25/41/00/1267254100.db2.gz RJWLVSHZTZMRKF-RBUKOAKNSA-N 2 0 335.536 2.852 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004547027 1267268973 /nfs/dbraw/zinc/26/89/73/1267268973.db2.gz KOXWBAHRKYCJJL-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004539546 1267281400 /nfs/dbraw/zinc/28/14/00/1267281400.db2.gz KCTWHRCAWFELPB-RTBURBONSA-N 2 0 335.536 2.852 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570389 1267306597 /nfs/dbraw/zinc/30/65/97/1267306597.db2.gz RWSKJOCIALVXTL-UYAOXDASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001004593393 1267354623 /nfs/dbraw/zinc/35/46/23/1267354623.db2.gz RZYZJXPFAOLZPM-HXUWFJFHSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608013 1267394358 /nfs/dbraw/zinc/39/43/58/1267394358.db2.gz XHECDUAWIMWITG-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617154 1267410491 /nfs/dbraw/zinc/41/04/91/1267410491.db2.gz PBNULOVFSGEWOO-QGZVFWFLSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004617967 1267411595 /nfs/dbraw/zinc/41/15/95/1267411595.db2.gz UYTJJAJLVBXEIB-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004620847 1267416305 /nfs/dbraw/zinc/41/63/05/1267416305.db2.gz RLLIDYKSTHRAFH-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)n3cnc(C)c3)CC[C@@H]2C1 ZINC000946638513 1267431687 /nfs/dbraw/zinc/43/16/87/1267431687.db2.gz NWXOFGBMRNJQMM-HDICACEKSA-N 2 0 344.503 2.673 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638524 1267431935 /nfs/dbraw/zinc/43/19/35/1267431935.db2.gz OUJCYZJHZHYQLG-KDURUIRLSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085685752 1268195346 /nfs/dbraw/zinc/19/53/46/1268195346.db2.gz AAMQTILEUKNDBR-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781748 1268502574 /nfs/dbraw/zinc/50/25/74/1268502574.db2.gz DMZLFFZHHBKTQJ-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)CC2)C1=O ZINC001273128073 1268685683 /nfs/dbraw/zinc/68/56/83/1268685683.db2.gz NBOZATBBHINLEJ-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366666 1268951200 /nfs/dbraw/zinc/95/12/00/1268951200.db2.gz YACBTTNCXZWWJR-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417621 1269090258 /nfs/dbraw/zinc/09/02/58/1269090258.db2.gz WMIMZOZYHGZQQN-APWZRJJASA-N 2 0 339.499 2.698 20 30 EFEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006279865 1269645038 /nfs/dbraw/zinc/64/50/38/1269645038.db2.gz UKLVWVNTKGUEHH-LJQANCHMSA-N 2 0 333.520 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086098410 1269962207 /nfs/dbraw/zinc/96/22/07/1269962207.db2.gz DBLLTNURIOXUQT-XBXGTLAGSA-N 2 0 341.908 2.660 20 30 EFEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832468 1270295811 /nfs/dbraw/zinc/29/58/11/1270295811.db2.gz FWPIRSSEFDTUAF-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835646 1270308019 /nfs/dbraw/zinc/30/80/19/1270308019.db2.gz KHIQXSKNCRGTSY-ICSRJNTNSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395066 1270333441 /nfs/dbraw/zinc/33/34/41/1270333441.db2.gz HIFOUPFCIJIOGC-SFHVURJKSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990798 1270786449 /nfs/dbraw/zinc/78/64/49/1270786449.db2.gz XTULPFUQSMLERQ-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004744 1270859101 /nfs/dbraw/zinc/85/91/01/1270859101.db2.gz QNDCZIXODLDXDC-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050369 1270967615 /nfs/dbraw/zinc/96/76/15/1270967615.db2.gz KNYCNFVDIUDNFX-QGZVFWFLSA-N 2 0 345.487 2.681 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210128 1271361859 /nfs/dbraw/zinc/36/18/59/1271361859.db2.gz FTGBHQRSBJSJRF-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210127 1271362967 /nfs/dbraw/zinc/36/29/67/1271362967.db2.gz FTGBHQRSBJSJRF-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211848 1271367523 /nfs/dbraw/zinc/36/75/23/1271367523.db2.gz PCNCHKWMAIHKIB-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250438 1271425292 /nfs/dbraw/zinc/42/52/92/1271425292.db2.gz QHCVPMRUPHQETK-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285159 1271533966 /nfs/dbraw/zinc/53/39/66/1271533966.db2.gz QEPRSFQCOKSNBX-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292667 1271576656 /nfs/dbraw/zinc/57/66/56/1271576656.db2.gz SPTXSVZXARXNCY-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329352 1271668430 /nfs/dbraw/zinc/66/84/30/1271668430.db2.gz GYBNGBZYJXYBCA-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331614 1271676470 /nfs/dbraw/zinc/67/64/70/1271676470.db2.gz UGJBUGYCDHORTK-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404570 1271911517 /nfs/dbraw/zinc/91/15/17/1271911517.db2.gz KLKUNIKLCOLUQZ-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034479690 1272081369 /nfs/dbraw/zinc/08/13/69/1272081369.db2.gz APLOXTRDZXEVNM-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034539232 1272245427 /nfs/dbraw/zinc/24/54/27/1272245427.db2.gz YRTQWHQSTPWQRD-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542913 1272254988 /nfs/dbraw/zinc/25/49/88/1272254988.db2.gz XTPJWCOOTUFGFS-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001115648436 1272453220 /nfs/dbraw/zinc/45/32/20/1272453220.db2.gz QGFOUIHMPDVCAX-UHFFFAOYSA-N 2 0 333.520 2.683 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000844034338 1278726542 /nfs/dbraw/zinc/72/65/42/1278726542.db2.gz AWFRJYLJRUWAQQ-IBGZPJMESA-N 2 0 329.488 2.616 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001034698839 1272654375 /nfs/dbraw/zinc/65/43/75/1272654375.db2.gz XELJZFDKMIJSHP-BRWVUGGUSA-N 2 0 339.911 2.630 20 30 EFEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC001169092127 1272669632 /nfs/dbraw/zinc/66/96/32/1272669632.db2.gz YAVAQKAKWZEFKA-WKCHPHFGSA-N 2 0 338.499 2.737 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169130389 1272688462 /nfs/dbraw/zinc/68/84/62/1272688462.db2.gz NKJFIFIOIMHERC-DOADOZAASA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001034717048 1272700394 /nfs/dbraw/zinc/70/03/94/1272700394.db2.gz HLGBSFPYYSZQML-SHTZXODSSA-N 2 0 339.867 2.724 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001108719433 1273400231 /nfs/dbraw/zinc/40/02/31/1273400231.db2.gz RACCHBDBXPMMCF-KSZLIROESA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001108772588 1273461506 /nfs/dbraw/zinc/46/15/06/1273461506.db2.gz WDNLNIXJAINDCN-OTWHNJEPSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108830356 1273521452 /nfs/dbraw/zinc/52/14/52/1273521452.db2.gz KQCOUSVFVMNUOI-UHOSZYNNSA-N 2 0 341.499 2.907 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197408 1273761084 /nfs/dbraw/zinc/76/10/84/1273761084.db2.gz MNMZYVAJDPSZIY-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)CC2 ZINC001035197133 1273762852 /nfs/dbraw/zinc/76/28/52/1273762852.db2.gz ISVLIWBBSSBXFJ-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035198971 1273765366 /nfs/dbraw/zinc/76/53/66/1273765366.db2.gz CJQAQHDIZASKIG-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035193001 1273812758 /nfs/dbraw/zinc/81/27/58/1273812758.db2.gz SQYBENAGTWUSGL-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035227324 1273849689 /nfs/dbraw/zinc/84/96/89/1273849689.db2.gz WAUJOOQAJLQVEZ-MRXNPFEDSA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035209881 1273860323 /nfs/dbraw/zinc/86/03/23/1273860323.db2.gz CKAVNJCZTRGFAC-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217513 1273882298 /nfs/dbraw/zinc/88/22/98/1273882298.db2.gz URMHZLQUNJCHME-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233989 1273886578 /nfs/dbraw/zinc/88/65/78/1273886578.db2.gz RKEVFVLUHUFGKL-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035237015 1273899232 /nfs/dbraw/zinc/89/92/32/1273899232.db2.gz ICZBVXBCWMGFBO-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244513 1273916340 /nfs/dbraw/zinc/91/63/40/1273916340.db2.gz PTVLCSBKBWCTBS-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035244495 1273916625 /nfs/dbraw/zinc/91/66/25/1273916625.db2.gz PDNBJUFUNRFKFU-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109405852 1274250215 /nfs/dbraw/zinc/25/02/15/1274250215.db2.gz DRRXPPMQNLBMBW-YDZRNGNQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485217 1274335709 /nfs/dbraw/zinc/33/57/09/1274335709.db2.gz PZENIAYEMWFACH-MHORFTMASA-N 2 0 331.504 2.691 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC001035705332 1274382464 /nfs/dbraw/zinc/38/24/64/1274382464.db2.gz CZOAVFXTNOIMDZ-SFHVURJKSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(Cl)CN1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035725272 1274412907 /nfs/dbraw/zinc/41/29/07/1274412907.db2.gz LMZNVJSPIDOYKZ-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725224 1274412971 /nfs/dbraw/zinc/41/29/71/1274412971.db2.gz JCTQNVUZFBUQDI-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035733033 1274423539 /nfs/dbraw/zinc/42/35/39/1274423539.db2.gz LXYAXTHKDRJDRB-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035733036 1274423711 /nfs/dbraw/zinc/42/37/11/1274423711.db2.gz LXYAXTHKDRJDRB-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035736813 1274428830 /nfs/dbraw/zinc/42/88/30/1274428830.db2.gz KEIMHKBTAGBUGR-UHFFFAOYSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773293 1274498036 /nfs/dbraw/zinc/49/80/36/1274498036.db2.gz VTFSOOVLROHLOW-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773054 1274498678 /nfs/dbraw/zinc/49/86/78/1274498678.db2.gz PKKXDKUNMDAUOI-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836614 1274574513 /nfs/dbraw/zinc/57/45/13/1274574513.db2.gz LRXWHQUYFBXNCY-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035857284 1274605578 /nfs/dbraw/zinc/60/55/78/1274605578.db2.gz LJSUOIRKAOQYDF-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001035858559 1274610088 /nfs/dbraw/zinc/61/00/88/1274610088.db2.gz VSNPCYNPZSEWLK-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001036028846 1274901597 /nfs/dbraw/zinc/90/15/97/1274901597.db2.gz GIGHWBPJIYKEOY-GDBMZVCRSA-N 2 0 341.927 2.830 20 30 EFEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547825 1275113856 /nfs/dbraw/zinc/11/38/56/1275113856.db2.gz RXNWVRJNYIISOD-ZVDOUQERSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001036150985 1275123373 /nfs/dbraw/zinc/12/33/73/1275123373.db2.gz GSBCAEXKOJGVPZ-IUODEOHRSA-N 2 0 339.867 2.534 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001036150988 1275123775 /nfs/dbraw/zinc/12/37/75/1275123775.db2.gz GSBCAEXKOJGVPZ-WFASDCNBSA-N 2 0 339.867 2.534 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001036128001 1275134505 /nfs/dbraw/zinc/13/45/05/1275134505.db2.gz MPJPYLHTJGMVJO-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563460 1275187066 /nfs/dbraw/zinc/18/70/66/1275187066.db2.gz WNBVQYDYTNLQRP-BJLQDIEVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001112564101 1275192789 /nfs/dbraw/zinc/19/27/89/1275192789.db2.gz DCAZQVLWNQSULI-JXFKEZNVSA-N 2 0 342.487 2.556 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578957 1275287681 /nfs/dbraw/zinc/28/76/81/1275287681.db2.gz PHGJKQCGTRUVRM-HBFSDRIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585585 1275308897 /nfs/dbraw/zinc/30/88/97/1275308897.db2.gz GUONBDIAYJAXCT-ZJOUEHCJSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585569 1275309680 /nfs/dbraw/zinc/30/96/80/1275309680.db2.gz FSBVACSWNKHACX-BJLQDIEVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ccnc1)C2 ZINC001112590668 1275346164 /nfs/dbraw/zinc/34/61/64/1275346164.db2.gz JUAZKYDBZNPPNH-ICSRJNTNSA-N 2 0 344.503 2.848 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001036302553 1275383926 /nfs/dbraw/zinc/38/39/26/1275383926.db2.gz JIJUAGIGOWBIFQ-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001273143131 1275384186 /nfs/dbraw/zinc/38/41/86/1275384186.db2.gz CEWHOWQFCDQHJI-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855185 1276110980 /nfs/dbraw/zinc/11/09/80/1276110980.db2.gz NIBRRCJCRRDTML-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855186 1276111250 /nfs/dbraw/zinc/11/12/50/1276111250.db2.gz NIBRRCJCRRDTML-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974068 1276271418 /nfs/dbraw/zinc/27/14/18/1276271418.db2.gz HYRDLBWENSVQKN-IAGOWNOFSA-N 2 0 344.503 2.663 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991773 1276281370 /nfs/dbraw/zinc/28/13/70/1276281370.db2.gz JNROAYXBMHUTRW-OALUTQOASA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273145870 1276311676 /nfs/dbraw/zinc/31/16/76/1276311676.db2.gz ZJNBSQJAMKHUCG-SFHVURJKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001273146471 1276315735 /nfs/dbraw/zinc/31/57/35/1276315735.db2.gz NAIZURMAMNUHFT-PKOBYXMFSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001273147436 1276336921 /nfs/dbraw/zinc/33/69/21/1276336921.db2.gz XQHHQOGNLQAXCK-KDURUIRLSA-N 2 0 331.504 2.646 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112964471 1276349918 /nfs/dbraw/zinc/34/99/18/1276349918.db2.gz XSXMOSGFJMDVHG-IBGZPJMESA-N 2 0 335.536 2.855 20 30 EFEDRP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000817914954 1276375703 /nfs/dbraw/zinc/37/57/03/1276375703.db2.gz DMUFJDDAJHHSIS-RXVVDRJESA-N 2 0 349.434 2.912 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OC ZINC000817918617 1276376582 /nfs/dbraw/zinc/37/65/82/1276376582.db2.gz LMBKVPDUWIHBRN-UAGQMJEPSA-N 2 0 331.460 2.854 20 30 EFEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001170896668 1276502002 /nfs/dbraw/zinc/50/20/02/1276502002.db2.gz ZARQCBUUHIJLSJ-CRAIPNDOSA-N 2 0 347.507 2.631 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000818954415 1276557464 /nfs/dbraw/zinc/55/74/64/1276557464.db2.gz VIZZPLDYHLMRRC-OAQYLSRUSA-N 2 0 335.451 2.977 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859167 1276785380 /nfs/dbraw/zinc/78/53/80/1276785380.db2.gz MAOJQSTXZBIZFY-VNTMZGSJSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086579186 1276952615 /nfs/dbraw/zinc/95/26/15/1276952615.db2.gz QDDYSAGFVGYZOI-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001113146583 1277086902 /nfs/dbraw/zinc/08/69/02/1277086902.db2.gz IBQHBGASHPHQEX-UHFFFAOYSA-N 2 0 329.488 2.515 20 30 EFEDRP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001174961481 1287269338 /nfs/dbraw/zinc/26/93/38/1287269338.db2.gz MPAUAVQCUTXRBK-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001171193819 1279754353 /nfs/dbraw/zinc/75/43/53/1279754353.db2.gz CQVGOSNYNGGNMJ-KRWDZBQOSA-N 2 0 341.499 2.970 20 30 EFEDRP C#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001144572236 1279855365 /nfs/dbraw/zinc/85/53/65/1279855365.db2.gz VCUPAXSAXCVJFB-UHFFFAOYSA-N 2 0 348.494 2.909 20 30 EFEDRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001175315537 1287398555 /nfs/dbraw/zinc/39/85/55/1287398555.db2.gz GIMHPVUNUDITCU-LPHOPBHVSA-N 2 0 344.503 2.663 20 30 EFEDRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001175316436 1287399533 /nfs/dbraw/zinc/39/95/33/1287399533.db2.gz JLAWGLZBXSDUHT-QUCCMNQESA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236045 1280292145 /nfs/dbraw/zinc/29/21/45/1280292145.db2.gz KMDZLXXSALCDHA-IRXDYDNUSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398238 1280915229 /nfs/dbraw/zinc/91/52/29/1280915229.db2.gz MZEFPKHMINGYDQ-CVEARBPZSA-N 2 0 329.916 2.878 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613632 1280951933 /nfs/dbraw/zinc/95/19/33/1280951933.db2.gz ULZKVJKLFJUTST-IRXDYDNUSA-N 2 0 335.536 2.641 20 30 EFEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146700839 1280980605 /nfs/dbraw/zinc/98/06/05/1280980605.db2.gz IGCWVFTXAWNRJZ-HOTGVXAUSA-N 2 0 333.476 2.631 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147409562 1281171659 /nfs/dbraw/zinc/17/16/59/1281171659.db2.gz FMSRIEUGCWYPSW-FQEVSTJZSA-N 2 0 331.504 2.916 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147558219 1281202513 /nfs/dbraw/zinc/20/25/13/1281202513.db2.gz PZHJRXPBCWIUPY-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583211 1281212854 /nfs/dbraw/zinc/21/28/54/1281212854.db2.gz OCADAZYAOAWRSU-QZTJIDSGSA-N 2 0 335.536 2.831 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724908 1281247675 /nfs/dbraw/zinc/24/76/75/1281247675.db2.gz NDLVIVANVXEMJW-UHFFFAOYSA-N 2 0 335.536 2.975 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001147774558 1281257628 /nfs/dbraw/zinc/25/76/28/1281257628.db2.gz XNHGXJBZIKCUAZ-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742890 1281261274 /nfs/dbraw/zinc/26/12/74/1281261274.db2.gz SIWDKEYPHDLIFO-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965407 1281365482 /nfs/dbraw/zinc/36/54/82/1281365482.db2.gz GXBKOAYGICXTIN-MJGOQNOKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205753 1281448346 /nfs/dbraw/zinc/44/83/46/1281448346.db2.gz NBWBYPLKZZVFFV-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284844 1281492719 /nfs/dbraw/zinc/49/27/19/1281492719.db2.gz HJJITXDIOAAOPG-QZTJIDSGSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291849 1281496635 /nfs/dbraw/zinc/49/66/35/1281496635.db2.gz DHBCFMDCNSNBBD-QGZVFWFLSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315548 1281515528 /nfs/dbraw/zinc/51/55/28/1281515528.db2.gz OJWGQAQAJWSPSI-QGZVFWFLSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148391302 1281520476 /nfs/dbraw/zinc/52/04/76/1281520476.db2.gz RNGBYNUIOFIUDC-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731746 1281639007 /nfs/dbraw/zinc/63/90/07/1281639007.db2.gz VGNIZARVGUCTHA-SBHAEUEKSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833757 1281760646 /nfs/dbraw/zinc/76/06/46/1281760646.db2.gz ILSQOJLAVOHIPC-RBUKOAKNSA-N 2 0 347.547 2.996 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001175731505 1287532431 /nfs/dbraw/zinc/53/24/31/1287532431.db2.gz YKTZOGZRUGWBHX-QGZVFWFLSA-N 2 0 329.488 2.650 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921485 1281931650 /nfs/dbraw/zinc/93/16/50/1281931650.db2.gz QQSUHXNFVDKWCQ-OALUTQOASA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923375 1281935834 /nfs/dbraw/zinc/93/58/34/1281935834.db2.gz QJOONJIWBMDYJJ-IEBWSBKVSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924693 1281940259 /nfs/dbraw/zinc/94/02/59/1281940259.db2.gz ZNDLYBHIQRRLRF-GUDVDZBRSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926769 1281947365 /nfs/dbraw/zinc/94/73/65/1281947365.db2.gz JIGHEFKHFSJRHH-RTBURBONSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086926928 1281949906 /nfs/dbraw/zinc/94/99/06/1281949906.db2.gz NUKKKJULCCMMRC-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942161 1281971301 /nfs/dbraw/zinc/97/13/01/1281971301.db2.gz KIIKALBKWJOMSO-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942188 1281971759 /nfs/dbraw/zinc/97/17/59/1281971759.db2.gz KVPGGXHAJPQGQI-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946519 1281983006 /nfs/dbraw/zinc/98/30/06/1281983006.db2.gz BIBDMYOTTJXGEM-SFHVURJKSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947230 1281986613 /nfs/dbraw/zinc/98/66/13/1281986613.db2.gz SCRXQJIQEBFRKY-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928152 1281989890 /nfs/dbraw/zinc/98/98/90/1281989890.db2.gz WPQXSODELVMYSK-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086933953 1282007372 /nfs/dbraw/zinc/00/73/72/1282007372.db2.gz BRLLMFXOQDATFD-IEBWSBKVSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804701 1282131597 /nfs/dbraw/zinc/13/15/97/1282131597.db2.gz QQPNDUPDQFRRSD-UTKZUKDTSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091808153 1282137511 /nfs/dbraw/zinc/13/75/11/1282137511.db2.gz ZKYHVDURSBTLDC-UZLBHIALSA-N 2 0 338.455 2.613 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091960644 1282281049 /nfs/dbraw/zinc/28/10/49/1282281049.db2.gz ZHDJRSIMQZNXJV-XLIONFOSSA-N 2 0 345.487 2.701 20 30 EFEDRP C#Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000809601679 1282337909 /nfs/dbraw/zinc/33/79/09/1282337909.db2.gz IMIVOMYNYXEIRI-UHFFFAOYSA-N 2 0 333.479 2.575 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070849 1282366838 /nfs/dbraw/zinc/36/68/38/1282366838.db2.gz ANWNEDWACQXHNP-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071205 1282366934 /nfs/dbraw/zinc/36/69/34/1282366934.db2.gz LOSGBIXTGKTSJA-HBFSDRIKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071338 1282368962 /nfs/dbraw/zinc/36/89/62/1282368962.db2.gz RPKYQOXJSPYESA-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092298134 1282546888 /nfs/dbraw/zinc/54/68/88/1282546888.db2.gz OWLSZVHDFNVBSD-CTNGQTDRSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608020 1282841356 /nfs/dbraw/zinc/84/13/56/1282841356.db2.gz HVELFWKBJSCYFW-KZNAEPCWSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907406 1283084632 /nfs/dbraw/zinc/08/46/32/1283084632.db2.gz LYWHNUSBGYUNOC-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206091 1283156248 /nfs/dbraw/zinc/15/62/48/1283156248.db2.gz DQKLLJNYIZNZNI-QZTJIDSGSA-N 2 0 333.520 2.633 20 30 EFEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093024634 1283166486 /nfs/dbraw/zinc/16/64/86/1283166486.db2.gz BLLKXJWMUOMFNQ-DJIMGWMZSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097155 1283219082 /nfs/dbraw/zinc/21/90/82/1283219082.db2.gz AKFWXTUBGMEYNA-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731147 1283289462 /nfs/dbraw/zinc/28/94/62/1283289462.db2.gz OZGOODZRKRRSIE-DOTOQJQBSA-N 2 0 347.528 2.922 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748412 1283395173 /nfs/dbraw/zinc/39/51/73/1283395173.db2.gz DLUYIHFACIPCDH-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378986 1283835826 /nfs/dbraw/zinc/83/58/26/1283835826.db2.gz XJOBZMMMFKHGED-ROUUACIJSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093382846 1283853939 /nfs/dbraw/zinc/85/39/39/1283853939.db2.gz FDAKAEYABFWGHR-RBUKOAKNSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093384021 1283858300 /nfs/dbraw/zinc/85/83/00/1283858300.db2.gz SOTJZGYQLBAIEJ-RTBURBONSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132823664 1284334594 /nfs/dbraw/zinc/33/45/94/1284334594.db2.gz KBSDKZONBXTBBL-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036858892 1284335052 /nfs/dbraw/zinc/33/50/52/1284335052.db2.gz GZNJZVQKVIUSIF-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148169 1284383139 /nfs/dbraw/zinc/38/31/39/1284383139.db2.gz MHEGTPVDQGDVMB-RDGPPVDQSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132923251 1284471361 /nfs/dbraw/zinc/47/13/61/1284471361.db2.gz FVFRYZFTOXQEGD-OALUTQOASA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132938320 1284490866 /nfs/dbraw/zinc/49/08/66/1284490866.db2.gz TYPADQPTLHFMJG-WBVHZDCISA-N 2 0 340.471 2.907 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132938728 1284492227 /nfs/dbraw/zinc/49/22/27/1284492227.db2.gz YKKAMCQRJTZZSO-DOTOQJQBSA-N 2 0 340.471 2.907 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941926 1284497666 /nfs/dbraw/zinc/49/76/66/1284497666.db2.gz SPAHPOPAUDKANE-MSOLQXFVSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120145 1287716662 /nfs/dbraw/zinc/71/66/62/1287716662.db2.gz JRIZFNRSPPLZIB-AZUAARDMSA-N 2 0 343.515 2.967 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132949653 1284508790 /nfs/dbraw/zinc/50/87/90/1284508790.db2.gz FJEYATPPHAHPEL-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132950949 1284511057 /nfs/dbraw/zinc/51/10/57/1284511057.db2.gz SPYSDJRTLVZRMD-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973735 1284533435 /nfs/dbraw/zinc/53/34/35/1284533435.db2.gz PWBMJJPVKZNCAV-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132974172 1284543858 /nfs/dbraw/zinc/54/38/58/1284543858.db2.gz XIUPQVYWXDMHLM-RDJZCZTQSA-N 2 0 326.444 2.598 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133015099 1284622824 /nfs/dbraw/zinc/62/28/24/1284622824.db2.gz AIJMWLVFIVMDPN-OALUTQOASA-N 2 0 347.547 2.596 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133015479 1284624026 /nfs/dbraw/zinc/62/40/26/1284624026.db2.gz FLJRQHOJTQICDZ-OALUTQOASA-N 2 0 347.547 2.596 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091761 1284780281 /nfs/dbraw/zinc/78/02/81/1284780281.db2.gz VIXXUNHSBLKJCB-ROUUACIJSA-N 2 0 325.541 2.983 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176201085 1287742451 /nfs/dbraw/zinc/74/24/51/1287742451.db2.gz VVNNSIVKOFHJNT-AWEZNQCLSA-N 2 0 338.883 2.778 20 30 EFEDRP CC(C)OCCO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000812238513 1284992728 /nfs/dbraw/zinc/99/27/28/1284992728.db2.gz YFHCZZZWUYYAHX-UHFFFAOYSA-N 2 0 333.476 2.993 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213346 1285001503 /nfs/dbraw/zinc/00/15/03/1285001503.db2.gz LQBKDGRQTOSSED-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133249484 1285052207 /nfs/dbraw/zinc/05/22/07/1285052207.db2.gz GCPBWUYUSJAVEB-FXAWDEMLSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094434176 1285078844 /nfs/dbraw/zinc/07/88/44/1285078844.db2.gz VLTRMJSSYLZNSB-QKNQBKEWSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133314198 1285196527 /nfs/dbraw/zinc/19/65/27/1285196527.db2.gz MGCRILQPUJQIPL-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133333530 1285209587 /nfs/dbraw/zinc/20/95/87/1285209587.db2.gz IVNDINNHFGVFSJ-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133337437 1285215268 /nfs/dbraw/zinc/21/52/68/1285215268.db2.gz NRPVLUMZGXGQSY-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCCCC)C2)CC1 ZINC001133337227 1285215502 /nfs/dbraw/zinc/21/55/02/1285215502.db2.gz KKOBLSVWJXRHDH-ICSRJNTNSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133338772 1285218493 /nfs/dbraw/zinc/21/84/93/1285218493.db2.gz YRDJDPIIUHVJQC-RDJZCZTQSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001133341618 1285221016 /nfs/dbraw/zinc/22/10/16/1285221016.db2.gz JIBMSRYRGOZCJB-FUHWJXTLSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133358669 1285254586 /nfs/dbraw/zinc/25/45/86/1285254586.db2.gz CGQGCUROODFLHH-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001133392589 1285333536 /nfs/dbraw/zinc/33/35/36/1285333536.db2.gz DUWHOTAWPRMQOE-KRWDZBQOSA-N 2 0 335.879 2.538 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133404006 1285355315 /nfs/dbraw/zinc/35/53/15/1285355315.db2.gz UJDCKSMIKVMVOJ-MRXNPFEDSA-N 2 0 349.906 2.786 20 30 EFEDRP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133403900 1285355790 /nfs/dbraw/zinc/35/57/90/1285355790.db2.gz OLUBACJQRLQUCB-UHFFFAOYSA-N 2 0 337.895 2.786 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001133403833 1285355861 /nfs/dbraw/zinc/35/58/61/1285355861.db2.gz LNJLMJNAOPLWEW-MRXNPFEDSA-N 2 0 349.906 2.929 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+](CC)CC ZINC001133407393 1285366205 /nfs/dbraw/zinc/36/62/05/1285366205.db2.gz GDVINHXWRNQQRD-UHFFFAOYSA-N 2 0 337.895 2.786 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001133410747 1285374480 /nfs/dbraw/zinc/37/44/80/1285374480.db2.gz ZCRALHODTJLOQX-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@H]21 ZINC001036902617 1285382924 /nfs/dbraw/zinc/38/29/24/1285382924.db2.gz NAUKXXXOKZTSEQ-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585403 1285417369 /nfs/dbraw/zinc/41/73/69/1285417369.db2.gz VDCWZLKDKGYRBK-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086710316 1285735369 /nfs/dbraw/zinc/73/53/69/1285735369.db2.gz UKIGASMUIKLIKX-GOEBONIOSA-N 2 0 335.517 2.874 20 30 EFEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001171725804 1285741756 /nfs/dbraw/zinc/74/17/56/1285741756.db2.gz RFMUVZISSJFQGX-UHFFFAOYSA-N 2 0 349.906 2.519 20 30 EFEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001171725222 1285741955 /nfs/dbraw/zinc/74/19/55/1285741955.db2.gz JEVOGKYLFYOCHJ-UHFFFAOYSA-N 2 0 349.906 2.519 20 30 EFEDRP CC[C@@H](C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](CC)CC ZINC001133684553 1285778384 /nfs/dbraw/zinc/77/83/84/1285778384.db2.gz JIZOCNMUCLJFEB-SFHVURJKSA-N 2 0 349.906 2.518 20 30 EFEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171772823 1285779022 /nfs/dbraw/zinc/77/90/22/1285779022.db2.gz WXWFZQMUAKCDIL-INIZCTEOSA-N 2 0 341.459 2.722 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918647 1285904248 /nfs/dbraw/zinc/90/42/48/1285904248.db2.gz QXZBNTFXBKQLNP-SFHVURJKSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172113959 1286025788 /nfs/dbraw/zinc/02/57/88/1286025788.db2.gz NDMOPBVFKLUVMB-PIIMJCKOSA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856614 1286030723 /nfs/dbraw/zinc/03/07/23/1286030723.db2.gz LITMJDMAQWHRHT-GOSISDBHSA-N 2 0 327.488 2.651 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000813752722 1286090046 /nfs/dbraw/zinc/09/00/46/1286090046.db2.gz MDEXXJRVIKUOQR-IBGZPJMESA-N 2 0 331.504 2.722 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172296327 1286109884 /nfs/dbraw/zinc/10/98/84/1286109884.db2.gz HGZKVAUYFBOXAT-RHSMWYFYSA-N 2 0 346.475 2.669 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001094950188 1286277025 /nfs/dbraw/zinc/27/70/25/1286277025.db2.gz GLPZKDFNWGUUCK-BQFCYCMXSA-N 2 0 338.455 2.802 20 30 EFEDRP COC(=O)[C@@H]1CCC[C@@H](N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001172787323 1286282011 /nfs/dbraw/zinc/28/20/11/1286282011.db2.gz UFTNQDYNLUWBTR-QZTJIDSGSA-N 2 0 331.460 2.775 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001094978324 1286329772 /nfs/dbraw/zinc/32/97/72/1286329772.db2.gz PCLFCFAIVRETAE-JYJNAYRXSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001094985770 1286352227 /nfs/dbraw/zinc/35/22/27/1286352227.db2.gz FFERUGBJJARHHD-XIRDDKMYSA-N 2 0 331.460 2.500 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001095061974 1286471044 /nfs/dbraw/zinc/47/10/44/1286471044.db2.gz DJZPFHBBJCYWKW-JQHSSLGASA-N 2 0 327.472 2.517 20 30 EFEDRP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC(CC#N)CC3)CC2)C1 ZINC001173341476 1286531814 /nfs/dbraw/zinc/53/18/14/1286531814.db2.gz WRACKOCWUNHSST-ADKAHSJRSA-N 2 0 347.503 2.808 20 30 EFEDRP CC[C@@H]1CN(C(NC[C@@H]2CCC[N@H+](CC(C)C)C2)=[NH+]C)CCS1 ZINC000123651124 1287120158 /nfs/dbraw/zinc/12/01/58/1287120158.db2.gz QQDNBYAVDJNHHD-DLBZAZTESA-N 2 0 340.581 2.757 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783670 1287184732 /nfs/dbraw/zinc/18/47/32/1287184732.db2.gz ODFMNMTWXUZHSZ-IRXDYDNUSA-N 2 0 332.492 2.747 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134787463 1287189297 /nfs/dbraw/zinc/18/92/97/1287189297.db2.gz KZOYQKMXMIFSED-LSDHHAIUSA-N 2 0 338.883 2.533 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165727566 1312671198 /nfs/dbraw/zinc/67/11/98/1312671198.db2.gz DMNFUBXMHHOPOY-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001135481204 1288036451 /nfs/dbraw/zinc/03/64/51/1288036451.db2.gz RGOBHBJMVMRYGQ-ROUUACIJSA-N 2 0 331.504 2.610 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176745667 1288093129 /nfs/dbraw/zinc/09/31/29/1288093129.db2.gz CEXUSKBDDPRTPL-KRWDZBQOSA-N 2 0 329.488 2.650 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746801 1288094066 /nfs/dbraw/zinc/09/40/66/1288094066.db2.gz MZFVTRKWUWMIAJ-QGZVFWFLSA-N 2 0 329.488 2.650 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176746800 1288094101 /nfs/dbraw/zinc/09/41/01/1288094101.db2.gz MZFVTRKWUWMIAJ-KRWDZBQOSA-N 2 0 329.488 2.650 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176753939 1288120818 /nfs/dbraw/zinc/12/08/18/1288120818.db2.gz OQOUDXHBWRIYRL-KRWDZBQOSA-N 2 0 344.503 2.663 20 30 EFEDRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CC#Cc2ccccc2)c1 ZINC001176890233 1288164275 /nfs/dbraw/zinc/16/42/75/1288164275.db2.gz NUDGQFNVDMUOSB-UHFFFAOYSA-N 2 0 349.478 2.509 20 30 EFEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691439 1288268526 /nfs/dbraw/zinc/26/85/26/1288268526.db2.gz URPYOLDRASFVGR-QZTJIDSGSA-N 2 0 341.540 2.574 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001177339589 1288399128 /nfs/dbraw/zinc/39/91/28/1288399128.db2.gz LHYACCOXULESHP-HXUWFJFHSA-N 2 0 347.547 2.596 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001177341734 1288400512 /nfs/dbraw/zinc/40/05/12/1288400512.db2.gz BIDBMGXKQZGCRA-HXUWFJFHSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001177415699 1288423468 /nfs/dbraw/zinc/42/34/68/1288423468.db2.gz IQNSKJNEOWLBTJ-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001177416247 1288424363 /nfs/dbraw/zinc/42/43/63/1288424363.db2.gz XMMBDUDNESPUNS-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001177416257 1288424915 /nfs/dbraw/zinc/42/49/15/1288424915.db2.gz XSKXYKVDJRPCSY-UHFFFAOYSA-N 2 0 335.536 2.596 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+](C)C ZINC001177467248 1288431942 /nfs/dbraw/zinc/43/19/42/1288431942.db2.gz XZBMALJKCDGQDK-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001177484401 1288444167 /nfs/dbraw/zinc/44/41/67/1288444167.db2.gz CPBPUPLPHIVOMN-UHFFFAOYSA-N 2 0 347.547 2.884 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC000817156905 1288445106 /nfs/dbraw/zinc/44/51/06/1288445106.db2.gz CSXYRBUXKGNPTG-LJQANCHMSA-N 2 0 331.504 2.866 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001177484930 1288445541 /nfs/dbraw/zinc/44/55/41/1288445541.db2.gz ODOYYZOGIJKNNG-KDURUIRLSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001177484932 1288445809 /nfs/dbraw/zinc/44/58/09/1288445809.db2.gz ODOYYZOGIJKNNG-RTBURBONSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902455 1288570622 /nfs/dbraw/zinc/57/06/22/1288570622.db2.gz SMCQFPPAEGSSCZ-IAGOWNOFSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902735 1288571167 /nfs/dbraw/zinc/57/11/67/1288571167.db2.gz YIVSCOAXZUNZIP-GJZGRUSLSA-N 2 0 341.927 2.734 20 30 EFEDRP C#CCCCCCC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817656913 1288685502 /nfs/dbraw/zinc/68/55/02/1288685502.db2.gz QPSSKXABPDYNRX-UHFFFAOYSA-N 2 0 333.520 2.589 20 30 EFEDRP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCCC[NH+](C)C ZINC001135966194 1288689574 /nfs/dbraw/zinc/68/95/74/1288689574.db2.gz KLUPKNPZPWMHFA-IRXDYDNUSA-N 2 0 344.503 2.663 20 30 EFEDRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]Cc1ccccc1C#N ZINC001135965999 1288689589 /nfs/dbraw/zinc/68/95/89/1288689589.db2.gz HGCCDCPYUAGQTE-SJORKVTESA-N 2 0 344.503 2.663 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)cc1 ZINC001170875351 1288707916 /nfs/dbraw/zinc/70/79/16/1288707916.db2.gz VWFSLWAUWMQBHW-GUDVDZBRSA-N 2 0 343.471 2.573 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001178483892 1288801450 /nfs/dbraw/zinc/80/14/50/1288801450.db2.gz JNBVFMRXZDYJPG-SJORKVTESA-N 2 0 341.927 2.880 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178722656 1288867848 /nfs/dbraw/zinc/86/78/48/1288867848.db2.gz LVNGQLIIPJUYEH-FQEVSTJZSA-N 2 0 347.547 2.931 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592432 1289193486 /nfs/dbraw/zinc/19/34/86/1289193486.db2.gz BIUASEFUWWSGET-UHFFFAOYSA-N 2 0 331.932 2.983 20 30 EFEDRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001179989038 1289355866 /nfs/dbraw/zinc/35/58/66/1289355866.db2.gz SYARPRPWEBBFOA-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180077529 1289407807 /nfs/dbraw/zinc/40/78/07/1289407807.db2.gz YNBHAZICEZGJSU-UHFFFAOYSA-N 2 0 332.492 2.994 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCCC=C)CC1 ZINC001180360313 1289494855 /nfs/dbraw/zinc/49/48/55/1289494855.db2.gz CMUHXKAGUPTHKU-UHFFFAOYSA-N 2 0 333.520 2.564 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165993345 1312715145 /nfs/dbraw/zinc/71/51/45/1312715145.db2.gz VUIGJENIRVPMPQ-UHFFFAOYSA-N 2 0 326.444 2.790 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293306 1289707287 /nfs/dbraw/zinc/70/72/87/1289707287.db2.gz YYNNUWSPVMFTPU-LPHOPBHVSA-N 2 0 328.456 2.508 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518734 1289852260 /nfs/dbraw/zinc/85/22/60/1289852260.db2.gz ZWMXAQFOLJGYAQ-NOVWEMISSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181672359 1289898076 /nfs/dbraw/zinc/89/80/76/1289898076.db2.gz WQMZUQYHRFTKJX-QGPMSJSTSA-N 2 0 341.927 2.688 20 30 EFEDRP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695406 1312752914 /nfs/dbraw/zinc/75/29/14/1312752914.db2.gz YTMOQTFLLXQNEL-FQEVSTJZSA-N 2 0 335.455 2.784 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001182000886 1290035966 /nfs/dbraw/zinc/03/59/66/1290035966.db2.gz GPCIGJCGKWSBQC-WSTZPKSXSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203229462 1290327626 /nfs/dbraw/zinc/32/76/26/1290327626.db2.gz GEIXLGMXBCBUBQ-DLBZAZTESA-N 2 0 333.520 2.844 20 30 EFEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183517063 1290353542 /nfs/dbraw/zinc/35/35/42/1290353542.db2.gz MXROYDHTLRIHLH-SVFBPWRDSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517126 1290353573 /nfs/dbraw/zinc/35/35/73/1290353573.db2.gz QGOMUZXEMCXFTK-QGPMSJSTSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001183509786 1290357393 /nfs/dbraw/zinc/35/73/93/1290357393.db2.gz NVHKDLJYTYZJEA-OXQOHEQNSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184651051 1290487487 /nfs/dbraw/zinc/48/74/87/1290487487.db2.gz BWOWQCIZLRUAEF-MOPGFXCFSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184714365 1290498102 /nfs/dbraw/zinc/49/81/02/1290498102.db2.gz XYJZRZTWRYNSTM-ZFWWWQNUSA-N 2 0 329.916 2.543 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184683273 1290499278 /nfs/dbraw/zinc/49/92/78/1290499278.db2.gz HFGUTACCTOIIMX-MSOLQXFVSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC001184736428 1290508398 /nfs/dbraw/zinc/50/83/98/1290508398.db2.gz UIUOZTABHUDJBQ-RDJZCZTQSA-N 2 0 326.444 2.598 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184882982 1290535472 /nfs/dbraw/zinc/53/54/72/1290535472.db2.gz PYNSTOVROCZIJG-OALUTQOASA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168532 1290607708 /nfs/dbraw/zinc/60/77/08/1290607708.db2.gz HIHWAMXJFJFCTK-HOCLYGCPSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168529 1290607934 /nfs/dbraw/zinc/60/79/34/1290607934.db2.gz HIHWAMXJFJFCTK-GDBMZVCRSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185410557 1290681236 /nfs/dbraw/zinc/68/12/36/1290681236.db2.gz DAYMATVSDDSDJB-MJGOQNOKSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185501868 1290693625 /nfs/dbraw/zinc/69/36/25/1290693625.db2.gz JISUQWFYPUNZOD-MOPGFXCFSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001185514834 1290695077 /nfs/dbraw/zinc/69/50/77/1290695077.db2.gz BEIORSABCOPFER-SJORKVTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185514831 1290695269 /nfs/dbraw/zinc/69/52/69/1290695269.db2.gz BEIORSABCOPFER-IRXDYDNUSA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203168596 1290731301 /nfs/dbraw/zinc/73/13/01/1290731301.db2.gz LKXFSYFBZGVDNF-QZTJIDSGSA-N 2 0 338.455 2.931 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185681210 1290734806 /nfs/dbraw/zinc/73/48/06/1290734806.db2.gz JYKNDXCDKHCNHW-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185708790 1290757084 /nfs/dbraw/zinc/75/70/84/1290757084.db2.gz DEMSYZQYRKTARU-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185708793 1290757726 /nfs/dbraw/zinc/75/77/26/1290757726.db2.gz DEMSYZQYRKTARU-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C12CCC2 ZINC001203232494 1290966092 /nfs/dbraw/zinc/96/60/92/1290966092.db2.gz WMPNSKCICIEXBT-IRXDYDNUSA-N 2 0 333.520 2.844 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186596878 1290994764 /nfs/dbraw/zinc/99/47/64/1290994764.db2.gz CWKWLOXBBQHIRN-LJQANCHMSA-N 2 0 347.547 2.692 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186604200 1290999127 /nfs/dbraw/zinc/99/91/27/1290999127.db2.gz AJWZJTCIXZPDGX-LJQANCHMSA-N 2 0 347.547 2.692 20 30 EFEDRP C=CCN1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877008878 1291105661 /nfs/dbraw/zinc/10/56/61/1291105661.db2.gz BCVMBGMSNKZUTM-UHFFFAOYSA-N 2 0 325.497 2.777 20 30 EFEDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C)CCC#N)cc2F)CC1 ZINC000877011734 1291106769 /nfs/dbraw/zinc/10/67/69/1291106769.db2.gz HVEZRSDGLJPYQK-MRXNPFEDSA-N 2 0 332.467 2.997 20 30 EFEDRP Cc1cc(C#N)ccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001233079761 1312851324 /nfs/dbraw/zinc/85/13/24/1312851324.db2.gz MOKZIQNIMHRUFS-UHFFFAOYSA-N 2 0 349.482 2.717 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863872 1312856012 /nfs/dbraw/zinc/85/60/12/1312856012.db2.gz RVPWIKDLIDXSBY-UHFFFAOYSA-N 2 0 339.867 2.583 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000957422052 1291532038 /nfs/dbraw/zinc/53/20/38/1291532038.db2.gz GRNJVYBQLVWAPS-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732293 1291580715 /nfs/dbraw/zinc/58/07/15/1291580715.db2.gz CIEXSICOPDGZPF-LTFXXXRZSA-N 2 0 335.536 2.734 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001114732987 1291599672 /nfs/dbraw/zinc/59/96/72/1291599672.db2.gz SHZGOFFTLFFBME-LTFXXXRZSA-N 2 0 333.520 2.510 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114738658 1291633774 /nfs/dbraw/zinc/63/37/74/1291633774.db2.gz ITZBONSWGZBLDT-PIIMJCKOSA-N 2 0 347.503 2.972 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3C(C)C)[C@@H]2C1 ZINC001189276200 1291663389 /nfs/dbraw/zinc/66/33/89/1291663389.db2.gz HTAUEXNXZCQZCI-OKZBNKHCSA-N 2 0 344.503 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552426 1291751169 /nfs/dbraw/zinc/75/11/69/1291751169.db2.gz OTMBFDBPQYUJDS-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612165 1291785024 /nfs/dbraw/zinc/78/50/24/1291785024.db2.gz ICSPOYVJQLWDQL-YZGWKJHDSA-N 2 0 347.547 2.994 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000957593171 1291830807 /nfs/dbraw/zinc/83/08/07/1291830807.db2.gz MYKTWSCSFXJYTG-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786596 1291860482 /nfs/dbraw/zinc/86/04/82/1291860482.db2.gz FYMIGXJZFROGSG-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957633871 1291930309 /nfs/dbraw/zinc/93/03/09/1291930309.db2.gz RXXKLBMGDVCUCU-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049466109 1312890459 /nfs/dbraw/zinc/89/04/59/1312890459.db2.gz ZJIGYAJHNNDEJJ-QRVBRYPASA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)CC1 ZINC000957636036 1291934766 /nfs/dbraw/zinc/93/47/66/1291934766.db2.gz UDSQCQYEOWXVQP-UHFFFAOYSA-N 2 0 330.476 2.578 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957647416 1291959987 /nfs/dbraw/zinc/95/99/87/1291959987.db2.gz HCWHJKLMMKVDAR-UHFFFAOYSA-N 2 0 345.531 2.590 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016643777 1312898143 /nfs/dbraw/zinc/89/81/43/1312898143.db2.gz SYFNSHVMNCDLTO-HNNXBMFYSA-N 2 0 333.501 2.580 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325119 1292116896 /nfs/dbraw/zinc/11/68/96/1292116896.db2.gz RXWQSEAFISKMIX-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203310963 1312905115 /nfs/dbraw/zinc/90/51/15/1312905115.db2.gz KJJQDLJUBIHDQA-SJORKVTESA-N 2 0 345.487 2.938 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016653753 1312905779 /nfs/dbraw/zinc/90/57/79/1312905779.db2.gz BLLHXOHPNRSEEZ-QZTJIDSGSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190445648 1292165401 /nfs/dbraw/zinc/16/54/01/1292165401.db2.gz ZJGIKFZPEHXGPJ-ROUUACIJSA-N 2 0 341.515 2.945 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190656567 1292271318 /nfs/dbraw/zinc/27/13/18/1292271318.db2.gz VDRUTWPWRXBEDV-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417871 1312920382 /nfs/dbraw/zinc/92/03/82/1312920382.db2.gz DGEQJIXMJZEZMK-SJORKVTESA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082060 1292456919 /nfs/dbraw/zinc/45/69/19/1292456919.db2.gz TWFXXAKWLCOANW-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203508574 1312942127 /nfs/dbraw/zinc/94/21/27/1312942127.db2.gz ZDYGIRCZLNVWAB-ZWKOTPCHSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513369 1312948221 /nfs/dbraw/zinc/94/82/21/1312948221.db2.gz VDVFELYKTHUEFU-JKSUJKDBSA-N 2 0 333.501 2.675 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513359 1312948382 /nfs/dbraw/zinc/94/83/82/1312948382.db2.gz VDVFELYKTHUEFU-CVEARBPZSA-N 2 0 333.501 2.675 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513362 1312948403 /nfs/dbraw/zinc/94/84/03/1312948403.db2.gz VDVFELYKTHUEFU-HOTGVXAUSA-N 2 0 333.501 2.675 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514522 1312949805 /nfs/dbraw/zinc/94/98/05/1312949805.db2.gz GRVAGJZQJMYKBS-GBESFXJTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754558 1312960182 /nfs/dbraw/zinc/96/01/82/1312960182.db2.gz OMGDXRMHOKDQFG-RBUKOAKNSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761133 1312963633 /nfs/dbraw/zinc/96/36/33/1312963633.db2.gz GSDRKVNFCFKJNB-HNNXBMFYSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614058 1312971168 /nfs/dbraw/zinc/97/11/68/1312971168.db2.gz HMAGVVWHJUHXCR-ROUUACIJSA-N 2 0 345.531 2.846 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026821 1293145111 /nfs/dbraw/zinc/14/51/11/1293145111.db2.gz MJCNCKZIVFLJBU-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788497 1312980486 /nfs/dbraw/zinc/98/04/86/1312980486.db2.gz ZGVGROGULYQXJH-MOPGFXCFSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383301 1293284515 /nfs/dbraw/zinc/28/45/15/1293284515.db2.gz RTVMCWYUSIRQAB-FXAWDEMLSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423920 1293303514 /nfs/dbraw/zinc/30/35/14/1293303514.db2.gz HSLKSLSMWHBLRS-MOPGFXCFSA-N 2 0 329.488 2.788 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544890 1312992133 /nfs/dbraw/zinc/99/21/33/1312992133.db2.gz HGIPGWLWPFJRNA-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820690 1312997488 /nfs/dbraw/zinc/99/74/88/1312997488.db2.gz SHLDCKQXQNEUPJ-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203771801 1313011500 /nfs/dbraw/zinc/01/15/00/1313011500.db2.gz PAUFHFSZMNOUGV-OALUTQOASA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203783325 1313013739 /nfs/dbraw/zinc/01/37/39/1313013739.db2.gz ROQSBNMKAMNPTF-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563104 1313018850 /nfs/dbraw/zinc/01/88/50/1313018850.db2.gz CDVCYZVNUOAGCE-OALUTQOASA-N 2 0 345.531 2.728 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569542 1313031432 /nfs/dbraw/zinc/03/14/32/1313031432.db2.gz ZDSLRQVFZXDQJF-MSOLQXFVSA-N 2 0 331.504 2.646 20 30 EFEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195875605 1294067742 /nfs/dbraw/zinc/06/77/42/1294067742.db2.gz IESIXTCYFLUBHW-LJQANCHMSA-N 2 0 335.536 2.833 20 30 EFEDRP C=C(C)CN1c2ccccc2[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711849 1294129313 /nfs/dbraw/zinc/12/93/13/1294129313.db2.gz KVICXQDSVVBYRM-HXUWFJFHSA-N 2 0 327.472 2.505 20 30 EFEDRP C=CCN1C(=O)C2(CC[NH+](CCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC001273711891 1294130191 /nfs/dbraw/zinc/13/01/91/1294130191.db2.gz MBLIMVQBXRUDDY-IBGZPJMESA-N 2 0 341.499 2.790 20 30 EFEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001196310338 1294186242 /nfs/dbraw/zinc/18/62/42/1294186242.db2.gz QCAOAIPQTDFYMW-GOSISDBHSA-N 2 0 346.519 2.950 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388146 1294219957 /nfs/dbraw/zinc/21/99/57/1294219957.db2.gz DSWSNFXGRQBYFF-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001196619972 1294307750 /nfs/dbraw/zinc/30/77/50/1294307750.db2.gz REPFDRJCQVNCRD-UHFFFAOYSA-N 2 0 343.515 2.905 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016983950 1313071737 /nfs/dbraw/zinc/07/17/37/1313071737.db2.gz WYSZYSMGLBZWEE-GOSISDBHSA-N 2 0 327.472 2.519 20 30 EFEDRP C=CCCCCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001197157955 1294470643 /nfs/dbraw/zinc/47/06/43/1294470643.db2.gz BBVLUCZUMPOACL-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000303774340 1294578195 /nfs/dbraw/zinc/57/81/95/1294578195.db2.gz FVMIFXLIZIDGKI-UHFFFAOYSA-N 2 0 332.492 2.503 20 30 EFEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303778033 1294580262 /nfs/dbraw/zinc/58/02/62/1294580262.db2.gz JGUSPAWDTMRILP-ZACQAIPSSA-N 2 0 326.529 2.605 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(-c2ccccc2)n1 ZINC000303790411 1294582117 /nfs/dbraw/zinc/58/21/17/1294582117.db2.gz WGJCCOSPORSXGT-MRXNPFEDSA-N 2 0 343.500 2.699 20 30 EFEDRP COCC[N@H+](C)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303870244 1294593387 /nfs/dbraw/zinc/59/33/87/1294593387.db2.gz BERMOFMMSVVPMT-UHFFFAOYSA-N 2 0 332.492 2.909 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000303870728 1294593797 /nfs/dbraw/zinc/59/37/97/1294593797.db2.gz BJEJNNHWGWCBAR-ZACQAIPSSA-N 2 0 346.519 2.604 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000303879924 1294595376 /nfs/dbraw/zinc/59/53/76/1294595376.db2.gz GUVXGULYHHOTAZ-MRXNPFEDSA-N 2 0 346.544 2.782 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000303893165 1294599698 /nfs/dbraw/zinc/59/96/98/1294599698.db2.gz RSTRNUQXPKXJJN-HNNXBMFYSA-N 2 0 346.475 2.697 20 30 EFEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCSCC2)c2ccccc2)CC1 ZINC000303899901 1294601200 /nfs/dbraw/zinc/60/12/00/1294601200.db2.gz WIWFDHICLWDMOI-SFHVURJKSA-N 2 0 346.544 2.823 20 30 EFEDRP [NH2+]=C(NCCN1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000303910503 1294602211 /nfs/dbraw/zinc/60/22/11/1294602211.db2.gz YZIBYPNONKSGJS-UHFFFAOYSA-N 2 0 334.467 2.960 20 30 EFEDRP [NH2+]=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCSCC1 ZINC000303977951 1294614440 /nfs/dbraw/zinc/61/44/40/1294614440.db2.gz LUDXFLRFNRYBPF-UHFFFAOYSA-N 2 0 346.544 2.926 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000303990562 1294615572 /nfs/dbraw/zinc/61/55/72/1294615572.db2.gz YVKRZRFLKTWLAU-ZDUSSCGKSA-N 2 0 334.464 2.693 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000303982194 1294616192 /nfs/dbraw/zinc/61/61/92/1294616192.db2.gz PWHMRLFUQGYARV-HZPDHXFCSA-N 2 0 331.508 2.563 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615562 1313089055 /nfs/dbraw/zinc/08/90/55/1313089055.db2.gz LKZSVLCILFZCQK-VAMGGRTRSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615564 1313089496 /nfs/dbraw/zinc/08/94/96/1313089496.db2.gz LKZSVLCILFZCQK-ZCNNSNEGSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCCC[N@@H+]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC001197668998 1294652406 /nfs/dbraw/zinc/65/24/06/1294652406.db2.gz JYOJXGKOFFAVAV-UHFFFAOYSA-N 2 0 338.455 2.986 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345900 1313109625 /nfs/dbraw/zinc/10/96/25/1313109625.db2.gz NRXZZJPHKRLPEE-RBUKOAKNSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198864530 1295277731 /nfs/dbraw/zinc/27/77/31/1295277731.db2.gz BKZZCBQKKZAHNO-SFHVURJKSA-N 2 0 347.503 2.750 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1OC ZINC001198983452 1295375287 /nfs/dbraw/zinc/37/52/87/1295375287.db2.gz DNRLUQIHRIMMFD-SFHVURJKSA-N 2 0 345.487 2.504 20 30 EFEDRP CS[C@@H](C)CC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276470983 1313156812 /nfs/dbraw/zinc/15/68/12/1313156812.db2.gz WAXDUIMOBIDTKJ-INIZCTEOSA-N 2 0 346.544 2.936 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000104162756 1295731640 /nfs/dbraw/zinc/73/16/40/1295731640.db2.gz OBULIMSBDSIUFT-MRXNPFEDSA-N 2 0 346.544 2.925 20 30 EFEDRP CCN(CC)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1F ZINC000304744706 1295748531 /nfs/dbraw/zinc/74/85/31/1295748531.db2.gz DTFCVMRRLZIVQU-MRXNPFEDSA-N 2 0 349.498 2.561 20 30 EFEDRP CCC(CC)(CNC(=[NH2+])N[C@H](C)COC)[NH2+][C@@H](C)c1ccccc1 ZINC000304752208 1295748618 /nfs/dbraw/zinc/74/86/18/1295748618.db2.gz KALKXOLCFGIWNF-CVEARBPZSA-N 2 0 334.508 2.835 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000304751872 1295748725 /nfs/dbraw/zinc/74/87/25/1295748725.db2.gz JRIPJIIXLMDISY-HZPDHXFCSA-N 2 0 332.492 2.589 20 30 EFEDRP CCN(CC)C(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000304752363 1295748901 /nfs/dbraw/zinc/74/89/01/1295748901.db2.gz KDXAAUXIQSVVLD-INIZCTEOSA-N 2 0 332.492 2.543 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000304750824 1295749025 /nfs/dbraw/zinc/74/90/25/1295749025.db2.gz ISKMERGLTOPGQF-WBVHZDCISA-N 2 0 332.492 2.577 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000304759358 1295751102 /nfs/dbraw/zinc/75/11/02/1295751102.db2.gz RAQPAYFKZXFPKV-AEFFLSMTSA-N 3 0 345.535 2.504 20 30 EFEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])NC(C)(C)C)CCOCC1)c1ccccc1 ZINC000304758709 1295751576 /nfs/dbraw/zinc/75/15/76/1295751576.db2.gz QJNYKQULDSWTKM-OAHLLOKOSA-N 2 0 332.492 2.589 20 30 EFEDRP CCC(CC)(CNC(=[NH2+])N1CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000304764630 1295754195 /nfs/dbraw/zinc/75/41/95/1295754195.db2.gz YGVSZTAUANOSHH-INIZCTEOSA-N 2 0 332.492 2.543 20 30 EFEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1c(CC)cccc1CC ZINC000304837687 1295761460 /nfs/dbraw/zinc/76/14/60/1295761460.db2.gz OKYXJGWYPOVLFB-QGZVFWFLSA-N 2 0 334.508 2.895 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC001204842775 1313201943 /nfs/dbraw/zinc/20/19/43/1313201943.db2.gz DITUYTHFQMCUBF-UHFFFAOYSA-N 2 0 349.519 2.877 20 30 EFEDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205229241 1313255328 /nfs/dbraw/zinc/25/53/28/1313255328.db2.gz MTGGCXYVBWVDBF-HXUWFJFHSA-N 2 0 340.492 2.824 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283521 1313264637 /nfs/dbraw/zinc/26/46/37/1313264637.db2.gz DNPHDKFSPGFSBP-MOPGFXCFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043584 1296559100 /nfs/dbraw/zinc/55/91/00/1296559100.db2.gz DSDRLGIBFRGKOE-ZWKOTPCHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049766762 1313276594 /nfs/dbraw/zinc/27/65/94/1313276594.db2.gz MXSGZQZNRLHZFS-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205410509 1313284087 /nfs/dbraw/zinc/28/40/87/1313284087.db2.gz REQXLJYLZPRJJK-UHFFFAOYSA-N 2 0 335.517 2.828 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000960282410 1296700289 /nfs/dbraw/zinc/70/02/89/1296700289.db2.gz HPRQXTVVXVAZCD-RTBURBONSA-N 2 0 332.407 2.506 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458834 1313293176 /nfs/dbraw/zinc/29/31/76/1313293176.db2.gz XLNTZALQYJBRGJ-RBUKOAKNSA-N 2 0 347.478 2.626 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000960288380 1296706332 /nfs/dbraw/zinc/70/63/32/1296706332.db2.gz QKFQAGKOYINGEK-WOJBJXKFSA-N 2 0 346.434 2.896 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205460978 1313293411 /nfs/dbraw/zinc/29/34/11/1313293411.db2.gz BSPJFPDNWVGHFZ-LJQANCHMSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235339015 1313296021 /nfs/dbraw/zinc/29/60/21/1313296021.db2.gz WKQYDMPBCRWYMT-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000960318057 1296735855 /nfs/dbraw/zinc/73/58/55/1296735855.db2.gz HJRHSMXSQMETOU-WOJBJXKFSA-N 2 0 341.499 2.665 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590548 1313318915 /nfs/dbraw/zinc/31/89/15/1313318915.db2.gz JCFJMDNDMKBZGA-UHFFFAOYSA-N 2 0 326.444 2.661 20 30 EFEDRP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000926399989 1296926194 /nfs/dbraw/zinc/92/61/94/1296926194.db2.gz FALLORKSSAZHHD-YQQQUEKLSA-N 2 0 330.472 2.983 20 30 EFEDRP C[NH+](C)CCN1CCC2(CC1)C[N@H+](CCCC#N)Cc1ccccc12 ZINC001277945246 1313321992 /nfs/dbraw/zinc/32/19/92/1313321992.db2.gz SPOWTSJZGNXMAI-UHFFFAOYSA-N 2 0 340.515 2.701 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3cc(F)c(F)c(C#N)c3F)cc[nH+]2)CC1 ZINC001201671477 1296984626 /nfs/dbraw/zinc/98/46/26/1296984626.db2.gz DWRGPDXUNDQQJV-UHFFFAOYSA-N 2 0 347.344 2.866 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818798 1313339474 /nfs/dbraw/zinc/33/94/74/1313339474.db2.gz AMKGNGUTHGDESF-OALUTQOASA-N 2 0 333.520 2.748 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201930190 1297154736 /nfs/dbraw/zinc/15/47/36/1297154736.db2.gz BLFBSQMRPLVEJG-SFHVURJKSA-N 2 0 341.540 2.506 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001205759354 1313351062 /nfs/dbraw/zinc/35/10/62/1313351062.db2.gz ODYUAOSADNMLQJ-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202163171 1297268346 /nfs/dbraw/zinc/26/83/46/1297268346.db2.gz CPGMCWHFLRGKEV-GOSISDBHSA-N 2 0 341.540 2.504 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835218 1313364407 /nfs/dbraw/zinc/36/44/07/1313364407.db2.gz GZYAILORYIFBPE-XUVXKRRUSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057408 1313398572 /nfs/dbraw/zinc/39/85/72/1313398572.db2.gz VBAWZZKXLFPXNM-UHFFFAOYSA-N 2 0 333.476 2.749 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206273895 1313429534 /nfs/dbraw/zinc/42/95/34/1313429534.db2.gz CQQYNDJFAVPWFG-LJQANCHMSA-N 2 0 339.499 2.603 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001206287772 1313432251 /nfs/dbraw/zinc/43/22/51/1313432251.db2.gz HYYUKKUODXRUGP-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610227 1313437585 /nfs/dbraw/zinc/43/75/85/1313437585.db2.gz CHLIRKYUAALTCJ-GBESFXJTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775819 1298062137 /nfs/dbraw/zinc/06/21/37/1298062137.db2.gz RSLULVGKJARWQI-HZPDHXFCSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659700 1313460256 /nfs/dbraw/zinc/46/02/56/1313460256.db2.gz ZLTVHUXOQXNFNM-YRXWBPOGSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907219 1313466227 /nfs/dbraw/zinc/46/62/27/1313466227.db2.gz BMYUDBISGYOSTM-OALUTQOASA-N 2 0 327.472 2.613 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907218 1313466419 /nfs/dbraw/zinc/46/64/19/1313466419.db2.gz BMYUDBISGYOSTM-MOPGFXCFSA-N 2 0 327.472 2.613 20 30 EFEDRP CCCCCCCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308524 1313467940 /nfs/dbraw/zinc/46/79/40/1313467940.db2.gz GBXRHJFIHYWBIQ-UHFFFAOYSA-N 2 0 342.572 2.633 20 30 EFEDRP N#Cc1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320218 1313468333 /nfs/dbraw/zinc/46/83/33/1313468333.db2.gz MWEWXVBGRRXMSI-OKILXGFUSA-N 2 0 334.261 2.752 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049909795 1313470555 /nfs/dbraw/zinc/47/05/55/1313470555.db2.gz CMENJUHCNJJKRN-MOPGFXCFSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547022 1313473658 /nfs/dbraw/zinc/47/36/58/1313473658.db2.gz BSXVWGBEDIQJIH-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206549085 1313474332 /nfs/dbraw/zinc/47/43/32/1313474332.db2.gz UKFQMYONVOZBBI-SJORKVTESA-N 2 0 339.911 2.584 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913485 1313475916 /nfs/dbraw/zinc/47/59/16/1313475916.db2.gz YKFWJEBVOROSSN-OALUTQOASA-N 2 0 327.472 2.613 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000961156618 1298222823 /nfs/dbraw/zinc/22/28/23/1298222823.db2.gz LGTQAWKEXPQKAG-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)CCCn2ccnc2C)CC1 ZINC001206603743 1313482459 /nfs/dbraw/zinc/48/24/59/1313482459.db2.gz UFCCZXRXZNQOEE-UHFFFAOYSA-N 2 0 338.883 2.552 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180408 1298256293 /nfs/dbraw/zinc/25/62/93/1298256293.db2.gz GVZUDQUVGBTLKN-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181352 1298258883 /nfs/dbraw/zinc/25/88/83/1298258883.db2.gz JHLKAUSKPAPEDJ-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182318 1298262985 /nfs/dbraw/zinc/26/29/85/1298262985.db2.gz LDQVSGVTQAMCTG-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961184742 1298267397 /nfs/dbraw/zinc/26/73/97/1298267397.db2.gz OEPUKUDTZHAHDG-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001206628628 1313486772 /nfs/dbraw/zinc/48/67/72/1313486772.db2.gz OELDSSFIARGHJR-KRWDZBQOSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224119 1298358723 /nfs/dbraw/zinc/35/87/23/1298358723.db2.gz CXPCEWBTNRZQBW-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961231296 1298375906 /nfs/dbraw/zinc/37/59/06/1298375906.db2.gz QHJWHVKANYZLPV-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604453 1313508840 /nfs/dbraw/zinc/50/88/40/1313508840.db2.gz JLCHLCJUBMMODL-QYZOEREBSA-N 2 0 327.472 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289386 1298500014 /nfs/dbraw/zinc/50/00/14/1298500014.db2.gz YRFUFMZEHJYDGF-RBUKOAKNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961340403 1298578750 /nfs/dbraw/zinc/57/87/50/1298578750.db2.gz KNRBCAZFGORTFR-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH2+]CC1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001206868920 1313530088 /nfs/dbraw/zinc/53/00/88/1313530088.db2.gz KHOOXSAGSFGQHL-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961374330 1298641963 /nfs/dbraw/zinc/64/19/63/1298641963.db2.gz LBQYYVMIHLFETA-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871644 1313531763 /nfs/dbraw/zinc/53/17/63/1313531763.db2.gz UGEXFWUTFSASOJ-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961377988 1298650278 /nfs/dbraw/zinc/65/02/78/1298650278.db2.gz JRGIOQDXIHODJI-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871645 1313531977 /nfs/dbraw/zinc/53/19/77/1313531977.db2.gz UGEXFWUTFSASOJ-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000961383740 1298658946 /nfs/dbraw/zinc/65/89/46/1298658946.db2.gz LUPPTLXMZVTYKT-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961401311 1298692570 /nfs/dbraw/zinc/69/25/70/1298692570.db2.gz DGNCXROFHYYTBI-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961403025 1298695598 /nfs/dbraw/zinc/69/55/98/1298695598.db2.gz TYTGQJPOZPDDMT-VQTJNVASSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961411931 1298707990 /nfs/dbraw/zinc/70/79/90/1298707990.db2.gz QTHPXBMVCCQEJR-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961442466 1298754477 /nfs/dbraw/zinc/75/44/77/1298754477.db2.gz SWAGDEVFBUZFDJ-WOJBJXKFSA-N 2 0 347.547 2.855 20 30 EFEDRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCc4cc(C#N)ccc4C3)c2)CC1 ZINC001236886695 1313546740 /nfs/dbraw/zinc/54/67/40/1313546740.db2.gz CAEIRVPIMUOJBX-UHFFFAOYSA-N 2 0 346.478 2.868 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001206965994 1313573988 /nfs/dbraw/zinc/57/39/88/1313573988.db2.gz WXGPWODSAILROX-UHFFFAOYSA-N 2 0 333.476 2.749 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980235 1313579683 /nfs/dbraw/zinc/57/96/83/1313579683.db2.gz MXDDSPRAUJWWHE-NZSAHSFTSA-N 2 0 335.536 2.735 20 30 EFEDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1C#N ZINC001207106841 1313614240 /nfs/dbraw/zinc/61/42/40/1313614240.db2.gz XGWRTAHCQLWKRY-UHFFFAOYSA-N 2 0 349.482 2.780 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC000962275616 1299539866 /nfs/dbraw/zinc/53/98/66/1299539866.db2.gz VYIKNFDFNDTABL-ZSYWTGECSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCN(CC[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC001207205495 1313637000 /nfs/dbraw/zinc/63/70/00/1313637000.db2.gz JOZWJOWTXRXSGQ-UHFFFAOYSA-N 2 0 325.497 2.683 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC001114499858 1300327543 /nfs/dbraw/zinc/32/75/43/1300327543.db2.gz XOILZXPSJAKLEO-NOENWEJRSA-N 2 0 338.455 2.657 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207482570 1313697273 /nfs/dbraw/zinc/69/72/73/1313697273.db2.gz OCNHFVGTAPNBSB-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CCC1CC[NH+](C)CC1)CCO2 ZINC001207482915 1313697421 /nfs/dbraw/zinc/69/74/21/1313697421.db2.gz HWRCNXNHVNXRAV-WOJBJXKFSA-N 2 0 336.520 2.792 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963314263 1300575456 /nfs/dbraw/zinc/57/54/56/1300575456.db2.gz KGHMRRFEPKNNSM-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315245 1300580618 /nfs/dbraw/zinc/58/06/18/1300580618.db2.gz SBYVUVJSLRISCY-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963319090 1300590491 /nfs/dbraw/zinc/59/04/91/1300590491.db2.gz FUSZXAZXPJVJKN-OFLPRAFFSA-N 2 0 341.927 2.971 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963332284 1300619915 /nfs/dbraw/zinc/61/99/15/1300619915.db2.gz XFUVDDIIWTVZIL-VIQWUECVSA-N 2 0 345.531 2.633 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344970 1300649079 /nfs/dbraw/zinc/64/90/79/1300649079.db2.gz BRWNZXAHMGRQSN-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001207541210 1313711506 /nfs/dbraw/zinc/71/15/06/1313711506.db2.gz YVOTVKSLFSMLCD-QRQLOZEOSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358271 1300681448 /nfs/dbraw/zinc/68/14/48/1300681448.db2.gz QCBHWUQWEMQUOM-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963363860 1300694014 /nfs/dbraw/zinc/69/40/14/1300694014.db2.gz AETZGFZMDRHNFS-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364393 1300694935 /nfs/dbraw/zinc/69/49/35/1300694935.db2.gz BYGHOSPXUZHCEX-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384214 1300740599 /nfs/dbraw/zinc/74/05/99/1300740599.db2.gz RRAMCYVQPSZKLS-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384581 1300742948 /nfs/dbraw/zinc/74/29/48/1300742948.db2.gz VHAFAMHRZVEINK-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389812 1300752128 /nfs/dbraw/zinc/75/21/28/1300752128.db2.gz GUNOABFWFDVJNO-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001018165848 1313722916 /nfs/dbraw/zinc/72/29/16/1313722916.db2.gz NQVGGXYTSCIQKT-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001018165808 1313722717 /nfs/dbraw/zinc/72/27/17/1313722717.db2.gz MKIDUFCALFIUKT-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682150 1313748682 /nfs/dbraw/zinc/74/86/82/1313748682.db2.gz BQIXQWIEXMIQJF-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963786039 1301314670 /nfs/dbraw/zinc/31/46/70/1301314670.db2.gz ADHYZNFPTXAWQS-HVEGKCCWSA-N 2 0 339.911 2.629 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000963946582 1301504835 /nfs/dbraw/zinc/50/48/35/1301504835.db2.gz GNXMLLZLPZJBFX-OIFHUDRTSA-N 2 0 331.504 2.596 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC001238196428 1313782625 /nfs/dbraw/zinc/78/26/25/1313782625.db2.gz RGUCCYPOQRSVPY-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000964422916 1301812432 /nfs/dbraw/zinc/81/24/32/1301812432.db2.gz POTJMPHAZSUDPX-UHFFFAOYSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312045 1313806266 /nfs/dbraw/zinc/80/62/66/1313806266.db2.gz AISTXEMWFUKRMG-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC000964534182 1301960759 /nfs/dbraw/zinc/96/07/59/1301960759.db2.gz SABATJHWMOLRII-UHFFFAOYSA-N 2 0 341.499 2.607 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208050245 1313835235 /nfs/dbraw/zinc/83/52/35/1313835235.db2.gz WWFUGMFIOZGHCF-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCN1C(=O)CCC12CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208185078 1313863879 /nfs/dbraw/zinc/86/38/79/1313863879.db2.gz JBCJUTNUPURCQL-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619178 1303037894 /nfs/dbraw/zinc/03/78/94/1303037894.db2.gz ROGLVACONZHMRH-INDMIFKZSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208331040 1313901004 /nfs/dbraw/zinc/90/10/04/1313901004.db2.gz JSCPRKPGTUEFIY-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097209018 1313909355 /nfs/dbraw/zinc/90/93/55/1313909355.db2.gz AXJNECLSNWAMID-MANSERQUSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208410965 1313922777 /nfs/dbraw/zinc/92/27/77/1313922777.db2.gz JLEOFALCJNXVDJ-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412962 1313923066 /nfs/dbraw/zinc/92/30/66/1313923066.db2.gz UUNUUUJCIGKELK-YDZRNGNQSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463170 1313935366 /nfs/dbraw/zinc/93/53/66/1313935366.db2.gz LPAAMGNXAVCNDJ-ROUUACIJSA-N 2 0 344.503 2.843 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114403031 1303869970 /nfs/dbraw/zinc/86/99/70/1303869970.db2.gz MBUMYSDXHISYSX-ZRNYENFQSA-N 2 0 349.563 2.981 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1CC ZINC001037870310 1303906513 /nfs/dbraw/zinc/90/65/13/1303906513.db2.gz REBQWALARNFECC-CRAIPNDOSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CC ZINC001037878314 1304064602 /nfs/dbraw/zinc/06/46/02/1304064602.db2.gz XUFNDTMYKCIDGH-MAUKXSAKSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC ZINC001037887425 1304254501 /nfs/dbraw/zinc/25/45/01/1304254501.db2.gz DUTIFPGQWDFFBA-QAPCUYQASA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037923002 1304761129 /nfs/dbraw/zinc/76/11/29/1304761129.db2.gz DMAHMNBMBNHUQM-HOTGVXAUSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037923001 1304761778 /nfs/dbraw/zinc/76/17/78/1304761778.db2.gz DMAHMNBMBNHUQM-CVEARBPZSA-N 2 0 341.927 2.688 20 30 EFEDRP N#Cc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc(C2C[NH2+]C2)c1 ZINC001240360816 1314024926 /nfs/dbraw/zinc/02/49/26/1314024926.db2.gz PDJIDHJILHMZFQ-UHFFFAOYSA-N 3 0 346.478 2.835 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000869735529 1304942791 /nfs/dbraw/zinc/94/27/91/1304942791.db2.gz VYXQUZYQDPBRSR-OAHLLOKOSA-N 2 0 343.393 2.542 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425219 1304978468 /nfs/dbraw/zinc/97/84/68/1304978468.db2.gz YOPMAZXWBFWMCE-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP N#Cc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360192 1314024354 /nfs/dbraw/zinc/02/43/54/1314024354.db2.gz AJMKLZHPFUTBAI-UHFFFAOYSA-N 3 0 346.478 2.835 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001037941666 1305090314 /nfs/dbraw/zinc/09/03/14/1305090314.db2.gz QSCTUIANWMFLAJ-IEBWSBKVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC ZINC001037960276 1305349611 /nfs/dbraw/zinc/34/96/11/1305349611.db2.gz OWSVHSGBQIWFIZ-NVXWUHKLSA-N 2 0 330.476 2.554 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1CC ZINC001037981413 1305577983 /nfs/dbraw/zinc/57/79/83/1305577983.db2.gz DXDLJSLZXOVZMV-MJGOQNOKSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1CC ZINC001037991887 1305674168 /nfs/dbraw/zinc/67/41/68/1305674168.db2.gz RAKYXDOBHNDUFU-AEFFLSMTSA-N 2 0 345.487 2.585 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052858196 1314426139 /nfs/dbraw/zinc/42/61/39/1314426139.db2.gz AAKQLBFTFSBWMH-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223973 1314119744 /nfs/dbraw/zinc/11/97/44/1314119744.db2.gz XROXWHYWLDMYGU-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673213 1306555972 /nfs/dbraw/zinc/55/59/72/1306555972.db2.gz JBIRCOYYJODGHV-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681094 1306563267 /nfs/dbraw/zinc/56/32/67/1306563267.db2.gz GRTNYVYBJUKNDI-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690712 1306571545 /nfs/dbraw/zinc/57/15/45/1306571545.db2.gz ARVXCNHMFCRRMU-SJLPKXTDSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001044661067 1306697957 /nfs/dbraw/zinc/69/79/57/1306697957.db2.gz VNIMYQWVZOIHJQ-GDBMZVCRSA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001209351706 1314145452 /nfs/dbraw/zinc/14/54/52/1314145452.db2.gz VDQFUGGJEHAFOS-JFIYKMOQSA-N 2 0 332.492 2.771 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968887532 1306760453 /nfs/dbraw/zinc/76/04/53/1306760453.db2.gz HFRPOQLPCUKHOY-DLBZAZTESA-N 2 0 330.476 2.697 20 30 EFEDRP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887862 1306760861 /nfs/dbraw/zinc/76/08/61/1306760861.db2.gz NZPRWNGKMXDYBL-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913210 1306786971 /nfs/dbraw/zinc/78/69/71/1306786971.db2.gz CUYFCRGGTZUJRJ-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001044816241 1306824625 /nfs/dbraw/zinc/82/46/25/1306824625.db2.gz OFNBAAARSSRWBF-QFBILLFUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001044816239 1306824651 /nfs/dbraw/zinc/82/46/51/1306824651.db2.gz OFNBAAARSSRWBF-APWZRJJASA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001044861226 1306871620 /nfs/dbraw/zinc/87/16/20/1306871620.db2.gz AQOXICJKFIVCDZ-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001044880417 1306893278 /nfs/dbraw/zinc/89/32/78/1306893278.db2.gz XPLYJYHBVDKTKA-JKSUJKDBSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CCCCCC[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209423514 1314161183 /nfs/dbraw/zinc/16/11/83/1314161183.db2.gz WCUKKNMMQVAFEF-UHFFFAOYSA-N 2 0 331.504 2.557 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209448139 1314164524 /nfs/dbraw/zinc/16/45/24/1314164524.db2.gz NTIBLGGIMSZETI-UHFFFAOYSA-N 2 0 335.492 2.583 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045461243 1307356552 /nfs/dbraw/zinc/35/65/52/1307356552.db2.gz UDIICEPOSWQBFD-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045491408 1307378361 /nfs/dbraw/zinc/37/83/61/1307378361.db2.gz WQXFWSCRPVBZIA-UHFFFAOYSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008061073 1307792918 /nfs/dbraw/zinc/79/29/18/1307792918.db2.gz GPGLHVDZIUCNKR-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209652009 1314210631 /nfs/dbraw/zinc/21/06/31/1314210631.db2.gz WIESDVDCMILGDS-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921190 1307897165 /nfs/dbraw/zinc/89/71/65/1307897165.db2.gz HJXHFDTVYKYVPL-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045942718 1307955197 /nfs/dbraw/zinc/95/51/97/1307955197.db2.gz XVGFEMLRTYCYRA-TZIWHRDSSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045942917 1307955220 /nfs/dbraw/zinc/95/52/20/1307955220.db2.gz CVMQYSVYTPMLMX-TZIWHRDSSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945724 1307965564 /nfs/dbraw/zinc/96/55/64/1307965564.db2.gz YEOALKYVRNNVIY-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949962 1307977289 /nfs/dbraw/zinc/97/72/89/1307977289.db2.gz SFSYIPKVCQRGBF-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958530 1308000411 /nfs/dbraw/zinc/00/04/11/1308000411.db2.gz SUUJFFICWTUJRM-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960580 1308005897 /nfs/dbraw/zinc/00/58/97/1308005897.db2.gz NENLEBOVVDAORI-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045966393 1308022314 /nfs/dbraw/zinc/02/23/14/1308022314.db2.gz VGJQSUIENDUKKY-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045971018 1308036993 /nfs/dbraw/zinc/03/69/93/1308036993.db2.gz LBVHKXSHWVIUJK-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045973506 1308043329 /nfs/dbraw/zinc/04/33/29/1308043329.db2.gz SCOKBLHBPIUSAM-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976020 1308050223 /nfs/dbraw/zinc/05/02/23/1308050223.db2.gz OUEQEYAVGPJDEJ-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045980099 1308065196 /nfs/dbraw/zinc/06/51/96/1308065196.db2.gz QSMZXWIUNZLJQP-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982153 1308074226 /nfs/dbraw/zinc/07/42/26/1308074226.db2.gz PKJOKBXBFZDVPC-IBGZPJMESA-N 2 0 330.476 2.541 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045982961 1308076331 /nfs/dbraw/zinc/07/63/31/1308076331.db2.gz HQUMOZFOCAUXGB-SFHVURJKSA-N 2 0 339.911 2.539 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045985950 1308085345 /nfs/dbraw/zinc/08/53/45/1308085345.db2.gz FLZTYJRTIOEKAC-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985932 1308085842 /nfs/dbraw/zinc/08/58/42/1308085842.db2.gz FJJZHMKVHPHRIL-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985936 1308086044 /nfs/dbraw/zinc/08/60/44/1308086044.db2.gz FJJZHMKVHPHRIL-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540921 1308144230 /nfs/dbraw/zinc/14/42/30/1308144230.db2.gz QEPUFFXOIIOVSA-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009680177 1308606202 /nfs/dbraw/zinc/60/62/02/1308606202.db2.gz FUEOFBOKTASAKA-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009687275 1308608231 /nfs/dbraw/zinc/60/82/31/1308608231.db2.gz ZOIVPKJVMJUFAM-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209957526 1314264206 /nfs/dbraw/zinc/26/42/06/1314264206.db2.gz AGCUWXHGFGVLOJ-ZHALLVOQSA-N 2 0 335.536 2.898 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179061 1314292577 /nfs/dbraw/zinc/29/25/77/1314292577.db2.gz HEJYZIVYMXYFGD-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853238 1309528125 /nfs/dbraw/zinc/52/81/25/1309528125.db2.gz UPTQTGVHPOGKAJ-FQEVSTJZSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001046995344 1309880150 /nfs/dbraw/zinc/88/01/50/1309880150.db2.gz OQWJOUBXGWZTSK-CVEARBPZSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764645 1314358696 /nfs/dbraw/zinc/35/86/96/1314358696.db2.gz QBPVLROVRSWOAR-IAGOWNOFSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047225407 1310351937 /nfs/dbraw/zinc/35/19/37/1310351937.db2.gz DIQLOBUXPQPSFV-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001047240496 1310388505 /nfs/dbraw/zinc/38/85/05/1310388505.db2.gz DOVUAVIVBROJQO-SLFFLAALSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241420 1310392670 /nfs/dbraw/zinc/39/26/70/1310392670.db2.gz POVPBVASCMLIQQ-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047243999 1310399249 /nfs/dbraw/zinc/39/92/49/1310399249.db2.gz OPBXHLJDGVXANV-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252809 1310422489 /nfs/dbraw/zinc/42/24/89/1310422489.db2.gz KAWHKUNIISBNQO-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047254418 1310426007 /nfs/dbraw/zinc/42/60/07/1310426007.db2.gz PJGVSEAYLAHMSS-VQTJNVASSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265434 1310457942 /nfs/dbraw/zinc/45/79/42/1310457942.db2.gz RIASTGMCDLRPEC-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664059 1311009706 /nfs/dbraw/zinc/00/97/06/1311009706.db2.gz CECKWYCBECTYGK-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688803 1311013211 /nfs/dbraw/zinc/01/32/11/1311013211.db2.gz PUAJGWCCCWXABV-GPMSIDNRSA-N 2 0 338.455 2.835 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221710616 1311017203 /nfs/dbraw/zinc/01/72/03/1311017203.db2.gz AVLGSQSFEWXTND-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772820 1311029081 /nfs/dbraw/zinc/02/90/81/1311029081.db2.gz OOMBKJFZAJURIC-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817584 1311038016 /nfs/dbraw/zinc/03/80/16/1311038016.db2.gz ZBXRMFMMNRFKAS-KZNAEPCWSA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848756 1311042894 /nfs/dbraw/zinc/04/28/94/1311042894.db2.gz FKYRPEQXSJXUJK-QXAKKESOSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877822 1311046972 /nfs/dbraw/zinc/04/69/72/1311046972.db2.gz LCYJBSOECFOLNR-QRVBRYPASA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889810 1311049225 /nfs/dbraw/zinc/04/92/25/1311049225.db2.gz QWWRTEAIUXYJSB-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945484 1311058188 /nfs/dbraw/zinc/05/81/88/1311058188.db2.gz QXVZPFQQGZRVTF-GUDVDZBRSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222050016 1311074284 /nfs/dbraw/zinc/07/42/84/1311074284.db2.gz QZQRYEOXGVQOJT-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001099491138 1311097714 /nfs/dbraw/zinc/09/77/14/1311097714.db2.gz YTSVOENSMPSAOP-MANSERQUSA-N 2 0 345.531 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099547254 1311101061 /nfs/dbraw/zinc/10/10/61/1311101061.db2.gz BRHJOHSPLZXARO-MUGJNUQGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001222818247 1311187938 /nfs/dbraw/zinc/18/79/38/1311187938.db2.gz VAQCRRMVIZANDH-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222940938 1311201540 /nfs/dbraw/zinc/20/15/40/1311201540.db2.gz AGXVCYYCIQMJDT-KURKYZTESA-N 2 0 330.476 2.579 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001100854768 1311202964 /nfs/dbraw/zinc/20/29/64/1311202964.db2.gz AZWAWZYDFVMVKK-XTXLOEGASA-N 2 0 343.515 2.914 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001223039379 1311211669 /nfs/dbraw/zinc/21/16/69/1311211669.db2.gz ICKLHUVWDDWMFX-AQNXPRMDSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313579 1311232171 /nfs/dbraw/zinc/23/21/71/1311232171.db2.gz DOQRJVLMDCNCNJ-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101313701 1311232421 /nfs/dbraw/zinc/23/24/21/1311232421.db2.gz KLGSQGAHLDUBEX-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402357 1311239014 /nfs/dbraw/zinc/23/90/14/1311239014.db2.gz FGXOZBOICHZYIR-SBHAEUEKSA-N 2 0 347.547 2.853 20 30 EFEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001101549072 1311248820 /nfs/dbraw/zinc/24/88/20/1311248820.db2.gz ZKDBKTPJUQPTKP-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001101567932 1311250140 /nfs/dbraw/zinc/25/01/40/1311250140.db2.gz HAKQDCJPVQOLFD-UHFFFAOYSA-N 2 0 347.503 2.995 20 30 EFEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001101589317 1311251830 /nfs/dbraw/zinc/25/18/30/1311251830.db2.gz HQDYCWUMENBALH-HKUYNNGSSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101589293 1311251942 /nfs/dbraw/zinc/25/19/42/1311251942.db2.gz GJQLSMQTFQFNAI-QGZVFWFLSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001101590331 1311252404 /nfs/dbraw/zinc/25/24/04/1311252404.db2.gz LLIULXZJBUABKR-UHFFFAOYSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489766 1311267505 /nfs/dbraw/zinc/26/75/05/1311267505.db2.gz VYDBHLPEVNHXDB-QYZOEREBSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108297 1311282006 /nfs/dbraw/zinc/28/20/06/1311282006.db2.gz FXRBHXOUPKOTHH-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108582 1311282299 /nfs/dbraw/zinc/28/22/99/1311282299.db2.gz SPPAJNHGMSYIMD-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102112923 1311283990 /nfs/dbraw/zinc/28/39/90/1311283990.db2.gz MSRISZKMBIEWHL-IAGOWNOFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929039 1311322522 /nfs/dbraw/zinc/32/25/22/1311322522.db2.gz OFYLEEHAQDZSRN-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153733 1311351591 /nfs/dbraw/zinc/35/15/91/1311351591.db2.gz WJLSVMWDCLBWMZ-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001224228463 1311363216 /nfs/dbraw/zinc/36/32/16/1311363216.db2.gz XXPWPPWHICHYTI-AOIWGVFYSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260473 1311367648 /nfs/dbraw/zinc/36/76/48/1311367648.db2.gz HJJPGGXNEJMHDV-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCCC=C)CC1 ZINC001158913788 1311415762 /nfs/dbraw/zinc/41/57/62/1311415762.db2.gz DFHWNTXXGJWYAY-HXUWFJFHSA-N 2 0 345.531 2.611 20 30 EFEDRP CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C#N)c1F)C2 ZINC001277006825 1311450316 /nfs/dbraw/zinc/45/03/16/1311450316.db2.gz GAKZOTDAKALMSH-FQEVSTJZSA-N 2 0 344.478 2.547 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167866 1311485471 /nfs/dbraw/zinc/48/54/71/1311485471.db2.gz DMPYMLJBDXBXBX-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+]([C@@H](C)CCC=C)CC2)CC1 ZINC001225557917 1311542593 /nfs/dbraw/zinc/54/25/93/1311542593.db2.gz WFYFAALVNYKSKH-SFHVURJKSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155451 1311656328 /nfs/dbraw/zinc/65/63/28/1311656328.db2.gz GIFBQJHQFJJWHR-FXAWDEMLSA-N 2 0 345.531 2.821 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399877 1311703460 /nfs/dbraw/zinc/70/34/60/1311703460.db2.gz FTBJOOFAJAOPJQ-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCCCCCC[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277153898 1311720122 /nfs/dbraw/zinc/72/01/22/1311720122.db2.gz ZEMGKWZYNBJATA-SFHVURJKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001226775630 1311721107 /nfs/dbraw/zinc/72/11/07/1311721107.db2.gz VAUKZDZNBWDHQC-GUDVDZBRSA-N 2 0 333.520 2.987 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277153190 1311726770 /nfs/dbraw/zinc/72/67/70/1311726770.db2.gz XZCZXBDYJRLLOG-XLIONFOSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001160544586 1311733082 /nfs/dbraw/zinc/73/30/82/1311733082.db2.gz LDCKHHOVRDTCEZ-UHFFFAOYSA-N 2 0 342.487 2.622 20 30 EFEDRP C[C@H](C[NH3+])CN(Cc1ccccc1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160660640 1311753699 /nfs/dbraw/zinc/75/36/99/1311753699.db2.gz PALOKEIESVZTQQ-MRXNPFEDSA-N 2 0 349.482 2.590 20 30 EFEDRP C#CC[C@H](C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227160324 1311770123 /nfs/dbraw/zinc/77/01/23/1311770123.db2.gz FWFWTHZGVGCPHQ-INIZCTEOSA-N 3 0 331.504 2.662 20 30 EFEDRP C#CC[C@@H](C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227160325 1311770397 /nfs/dbraw/zinc/77/03/97/1311770397.db2.gz FWFWTHZGVGCPHQ-MRXNPFEDSA-N 3 0 331.504 2.662 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001160787190 1311781265 /nfs/dbraw/zinc/78/12/65/1311781265.db2.gz KCRQQFSXAFKPBW-UHFFFAOYSA-N 2 0 341.499 2.729 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227508726 1311813996 /nfs/dbraw/zinc/81/39/96/1311813996.db2.gz LUWJUYGYUJWUJV-QZTJIDSGSA-N 2 0 326.444 2.931 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160958232 1311821544 /nfs/dbraw/zinc/82/15/44/1311821544.db2.gz XXGXJLCVBQTHCH-CUWPLCDZSA-N 2 0 341.499 2.664 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986717 1311829002 /nfs/dbraw/zinc/82/90/02/1311829002.db2.gz UCWXVVHKUWASFR-IBGZPJMESA-N 2 0 333.520 2.823 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227618713 1311831821 /nfs/dbraw/zinc/83/18/21/1311831821.db2.gz IJQXRBNBHCWRRQ-DOTOQJQBSA-N 2 0 327.488 2.602 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001227703669 1311842067 /nfs/dbraw/zinc/84/20/67/1311842067.db2.gz LECQAQUFYKWHKW-QZTJIDSGSA-N 2 0 333.520 2.539 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227703100 1311842343 /nfs/dbraw/zinc/84/23/43/1311842343.db2.gz BKCGJAJKZVUQGE-QRVBRYPASA-N 2 0 333.520 2.844 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537372 1311877424 /nfs/dbraw/zinc/87/74/24/1311877424.db2.gz QFPAINGJDWLRLR-REPLKXPHSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001048538854 1311879731 /nfs/dbraw/zinc/87/97/31/1311879731.db2.gz DJDODZQATORNRZ-FCGDIQPGSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472486 1311896823 /nfs/dbraw/zinc/89/68/23/1311896823.db2.gz VBNPKNGEBJWWTH-UHFFFAOYSA-N 2 0 327.472 2.686 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001228097043 1311898982 /nfs/dbraw/zinc/89/89/82/1311898982.db2.gz XZMLUSBQIREQFB-QGZVFWFLSA-N 2 0 344.503 2.843 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)c2cc(CN(C)C)on2)CC1 ZINC001228105655 1311900259 /nfs/dbraw/zinc/90/02/59/1311900259.db2.gz JBBUYKXHFFTMFJ-UHFFFAOYSA-N 2 0 348.491 2.677 20 30 EFEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560052 1311905418 /nfs/dbraw/zinc/90/54/18/1311905418.db2.gz DWGUKNCFHZMVII-GGPHIMKMSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048561785 1311907290 /nfs/dbraw/zinc/90/72/90/1311907290.db2.gz FKVXMQHQIJDNMV-OYSTVDSJSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570657 1311918249 /nfs/dbraw/zinc/91/82/49/1311918249.db2.gz UEPBTELESDDCLA-QXCZDIPSSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048574181 1311922112 /nfs/dbraw/zinc/92/21/12/1311922112.db2.gz RPZWCBLTWDWTFW-UHZRXMQZSA-N 2 0 345.531 2.939 20 30 EFEDRP 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 ZINC001048583424 1311933125 /nfs/dbraw/zinc/93/31/25/1311933125.db2.gz KOTAFFLUCDOYKT-ZSXDVEMLSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001048589979 1311941691 /nfs/dbraw/zinc/94/16/91/1311941691.db2.gz GGDOTDJJAHXVBR-FCGDIQPGSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930761 1312005924 /nfs/dbraw/zinc/00/59/24/1312005924.db2.gz INVIVEZWPXEXCO-UHFFFAOYSA-N 2 0 339.483 2.524 20 30 EFEDRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(C#N)c1 ZINC000902792816 1312111720 /nfs/dbraw/zinc/11/17/20/1312111720.db2.gz DMKWAZGRCRMGMI-FQEVSTJZSA-N 2 0 328.504 2.873 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001162747559 1312166377 /nfs/dbraw/zinc/16/63/77/1312166377.db2.gz ZUJIDKHFAOFRTF-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001162832425 1312186618 /nfs/dbraw/zinc/18/66/18/1312186618.db2.gz SJXQXDYJNJAZDB-HXUWFJFHSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001162832661 1312187064 /nfs/dbraw/zinc/18/70/64/1312187064.db2.gz YLUGLMBHCWVLSS-HXUWFJFHSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001206679449 1312202843 /nfs/dbraw/zinc/20/28/43/1312202843.db2.gz FRBLAGIKIHKHLW-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001162964073 1312213268 /nfs/dbraw/zinc/21/32/68/1312213268.db2.gz SBCLTIQMMGODQC-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CC ZINC001162977710 1312217382 /nfs/dbraw/zinc/21/73/82/1312217382.db2.gz UOHXBJWDKWBGNQ-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987703 1312219241 /nfs/dbraw/zinc/21/92/41/1312219241.db2.gz VEBMGEFEEBRUJY-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162987835 1312219673 /nfs/dbraw/zinc/21/96/73/1312219673.db2.gz ZBSGFONSGBEBJZ-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001163002158 1312223568 /nfs/dbraw/zinc/22/35/68/1312223568.db2.gz XJOHCDIMQXQLPH-HXUWFJFHSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001163006635 1312224461 /nfs/dbraw/zinc/22/44/61/1312224461.db2.gz HDOCLWMTKIVOKC-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006238 1312224608 /nfs/dbraw/zinc/22/46/08/1312224608.db2.gz AONFPYUNOXFOGD-UHFFFAOYSA-N 2 0 345.531 2.954 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001230575901 1312271371 /nfs/dbraw/zinc/27/13/71/1312271371.db2.gz SIBWYQHQPZQOTA-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591849 1312276097 /nfs/dbraw/zinc/27/60/97/1312276097.db2.gz LLBJYQGWXLZEEK-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001230591751 1312276426 /nfs/dbraw/zinc/27/64/26/1312276426.db2.gz ILZUVLSWADAYJO-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001230598099 1312278472 /nfs/dbraw/zinc/27/84/72/1312278472.db2.gz FKTLAYMAKFIHMW-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230613028 1312284108 /nfs/dbraw/zinc/28/41/08/1312284108.db2.gz JZFMEXGBWDPVOJ-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230627110 1312288591 /nfs/dbraw/zinc/28/85/91/1312288591.db2.gz AXOIDTLCMFLQDF-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165540 1312532921 /nfs/dbraw/zinc/53/29/21/1312532921.db2.gz SPXRAVVZFMZTRY-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001164582706 1312544114 /nfs/dbraw/zinc/54/41/14/1312544114.db2.gz NPWQATWCSYOJRI-OKZBNKHCSA-N 2 0 335.536 2.948 20 30 EFEDRP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(CC#N)c(C)n2)CC1 ZINC001165110055 1312569686 /nfs/dbraw/zinc/56/96/86/1312569686.db2.gz BCFCYOWBOMHNTN-GOSISDBHSA-N 2 0 328.460 2.536 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015473 1312606087 /nfs/dbraw/zinc/60/60/87/1312606087.db2.gz XDRGQGWYJXOZRS-HKUYNNGSSA-N 2 0 327.428 2.889 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165492330 1312638023 /nfs/dbraw/zinc/63/80/23/1312638023.db2.gz QNEBRZNWQGJRAX-INIZCTEOSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211233471 1314460970 /nfs/dbraw/zinc/46/09/70/1314460970.db2.gz GCZYJDUTBDFUTJ-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967411 1314525036 /nfs/dbraw/zinc/52/50/36/1314525036.db2.gz HZGVPRPXCNBQOF-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245970253 1314557011 /nfs/dbraw/zinc/55/70/11/1314557011.db2.gz BPKAOKLUMAIQGF-OKZBNKHCSA-N 2 0 332.504 2.530 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001245976522 1314557924 /nfs/dbraw/zinc/55/79/24/1314557924.db2.gz UNQMNEAEVVVLJP-RBUKOAKNSA-N 2 0 327.557 2.761 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001245983141 1314559039 /nfs/dbraw/zinc/55/90/39/1314559039.db2.gz MXYXGYCMSOUKTK-GBESFXJTSA-N 2 0 328.541 2.828 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC001245981005 1314559513 /nfs/dbraw/zinc/55/95/13/1314559513.db2.gz PJNFXDHZMBQHHR-QZTJIDSGSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001245985863 1314559831 /nfs/dbraw/zinc/55/98/31/1314559831.db2.gz NDQDGBNLNQEDEG-ROUUACIJSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001245986714 1314560104 /nfs/dbraw/zinc/56/01/04/1314560104.db2.gz PYPNSWCWRIMBPR-HSALFYBXSA-N 2 0 339.568 2.761 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997091 1314562391 /nfs/dbraw/zinc/56/23/91/1314562391.db2.gz UEZFEPXEQZIXKN-QZTJIDSGSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001246005684 1314564950 /nfs/dbraw/zinc/56/49/50/1314564950.db2.gz YGLUWOOHYKRGSH-QRVBRYPASA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021848 1314567760 /nfs/dbraw/zinc/56/77/60/1314567760.db2.gz IBGNUWOAQKLKEY-UFYCRDLUSA-N 2 0 339.568 2.904 20 30 EFEDRP CCCCCCCCCC[N@H+](C)C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246062671 1314577113 /nfs/dbraw/zinc/57/71/13/1314577113.db2.gz NBSWGRJNJBXINJ-SFHVURJKSA-N 2 0 328.541 2.924 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001246068731 1314579164 /nfs/dbraw/zinc/57/91/64/1314579164.db2.gz JXLXDKRVPGXCPK-LJQANCHMSA-N 2 0 326.525 2.964 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030021 1314604194 /nfs/dbraw/zinc/60/41/94/1314604194.db2.gz ZYAZJLJZUVRVFC-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc(C(=O)OC)cc2)CC1 ZINC001246302725 1314607783 /nfs/dbraw/zinc/60/77/83/1314607783.db2.gz BYVPYIKJJUSPBP-UHFFFAOYSA-N 2 0 331.460 2.832 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036957 1314616303 /nfs/dbraw/zinc/61/63/03/1314616303.db2.gz SHWGSXYPDUPFBK-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001053036958 1314616366 /nfs/dbraw/zinc/61/63/66/1314616366.db2.gz SHWGSXYPDUPFBK-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042247 1314622350 /nfs/dbraw/zinc/62/23/50/1314622350.db2.gz OWPXFIHOOPGWLO-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042250 1314622603 /nfs/dbraw/zinc/62/26/03/1314622603.db2.gz OWPXFIHOOPGWLO-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C[C@@H]1CC[C@H](N(Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443011 1314629976 /nfs/dbraw/zinc/62/99/76/1314629976.db2.gz SCTXAEZWPMHAQJ-XLNTUCKNSA-N 2 0 326.488 2.771 20 30 EFEDRP C[C@H]1CC[C@@H](N(Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443009 1314630135 /nfs/dbraw/zinc/63/01/35/1314630135.db2.gz SCTXAEZWPMHAQJ-MVJPYGJCSA-N 2 0 326.488 2.771 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001053047040 1314631697 /nfs/dbraw/zinc/63/16/97/1314631697.db2.gz OZDCVVIYWTVHEY-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050170 1314636185 /nfs/dbraw/zinc/63/61/85/1314636185.db2.gz IAKYRYHQWDHDHK-RTBURBONSA-N 2 0 345.531 2.609 20 30 EFEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246564162 1314649691 /nfs/dbraw/zinc/64/96/91/1314649691.db2.gz WCKLPSFVSXSLTC-SOAGJPPSSA-N 2 0 327.472 2.566 20 30 EFEDRP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[NH2+]CCC[C@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246597993 1314654484 /nfs/dbraw/zinc/65/44/84/1314654484.db2.gz YMLYFTBAHDEVOI-DYUPNXQLSA-N 2 0 346.515 2.986 20 30 EFEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246626742 1314660246 /nfs/dbraw/zinc/66/02/46/1314660246.db2.gz KOCGXKFJFNRLPU-XLIONFOSSA-N 2 0 335.536 2.927 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@H]2CC ZINC001246703155 1314673592 /nfs/dbraw/zinc/67/35/92/1314673592.db2.gz ITWHXTDIFMSZHP-ZYGVUQDESA-N 2 0 331.504 2.691 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096446 1314708344 /nfs/dbraw/zinc/70/83/44/1314708344.db2.gz UCLJREHLIOYTNI-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCCCC[C@@H](C)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246927458 1314709362 /nfs/dbraw/zinc/70/93/62/1314709362.db2.gz ZYQMYVJCZMGXLB-GOSISDBHSA-N 3 0 342.572 2.631 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099210 1314714419 /nfs/dbraw/zinc/71/44/19/1314714419.db2.gz BIIJHRWSEXGLJC-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099212 1314714436 /nfs/dbraw/zinc/71/44/36/1314714436.db2.gz BIIJHRWSEXGLJC-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855822 1314748684 /nfs/dbraw/zinc/74/86/84/1314748684.db2.gz ORDGFKDWNUKXEH-BHIYHBOVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001215224107 1314802239 /nfs/dbraw/zinc/80/22/39/1314802239.db2.gz INKFZFNNTXNIEO-GDBMZVCRSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216336177 1314941711 /nfs/dbraw/zinc/94/17/11/1314941711.db2.gz XUAZCYAXKOFVQI-QFUCXCTJSA-N 2 0 343.515 2.866 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216352264 1314943693 /nfs/dbraw/zinc/94/36/93/1314943693.db2.gz LFWULTFVIBRBGH-BHIYHBOVSA-N 2 0 329.488 2.692 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001216413302 1314951170 /nfs/dbraw/zinc/95/11/70/1314951170.db2.gz HRYWSOVCKPXVDJ-HLLBOEOZSA-N 2 0 330.476 2.552 20 30 EFEDRP N#C[C@H]1C[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834372 1315116322 /nfs/dbraw/zinc/11/63/22/1315116322.db2.gz WZULTFURAYJFKE-LPHOPBHVSA-N 2 0 325.457 2.851 20 30 EFEDRP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001054035778 1315198808 /nfs/dbraw/zinc/19/88/08/1315198808.db2.gz UVTUUNPZTPUTOD-VQTJNVASSA-N 2 0 341.499 2.590 20 30 EFEDRP C[C@@H]([NH3+])c1cccc(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)c1 ZINC001218553798 1315214682 /nfs/dbraw/zinc/21/46/82/1315214682.db2.gz ROEXWVVOCGYFHP-SNVBAGLBSA-N 2 0 326.425 2.537 20 30 EFEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218973360 1315266329 /nfs/dbraw/zinc/26/63/29/1315266329.db2.gz ZFKITJLTGMEZTN-SFHVURJKSA-N 2 0 348.450 2.795 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132901 1315343655 /nfs/dbraw/zinc/34/36/55/1315343655.db2.gz RHMRKSPQOGJOKZ-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054144333 1315362608 /nfs/dbraw/zinc/36/26/08/1315362608.db2.gz TWUGMYZRUAOBGR-KRWDZBQOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145519 1315365666 /nfs/dbraw/zinc/36/56/66/1315365666.db2.gz RDIJOIFXWZAJMH-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054147128 1315368389 /nfs/dbraw/zinc/36/83/89/1315368389.db2.gz KTMDZYIBBDIKDO-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054158371 1315385865 /nfs/dbraw/zinc/38/58/65/1315385865.db2.gz KDNRJPYJEOGZEZ-FQEVSTJZSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054158705 1315386180 /nfs/dbraw/zinc/38/61/80/1315386180.db2.gz ANQZAWRAJVGHMU-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159154 1315386805 /nfs/dbraw/zinc/38/68/05/1315386805.db2.gz TUHUFAVYGPLLJX-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159140 1315387595 /nfs/dbraw/zinc/38/75/95/1315387595.db2.gz SZSNKPNVPVRNSR-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001252138876 1315417623 /nfs/dbraw/zinc/41/76/23/1315417623.db2.gz FMDDZMVULVLALO-PKOBYXMFSA-N 2 0 326.525 2.941 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252135655 1315417646 /nfs/dbraw/zinc/41/76/46/1315417646.db2.gz HEPPJZWRBXIONV-GOSISDBHSA-N 2 0 327.557 2.714 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182614 1315422821 /nfs/dbraw/zinc/42/28/21/1315422821.db2.gz NYHSDTDYPGZIKW-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182458 1315423056 /nfs/dbraw/zinc/42/30/56/1315423056.db2.gz KOZIBHFJOFHJST-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182613 1315423101 /nfs/dbraw/zinc/42/31/01/1315423101.db2.gz NYHSDTDYPGZIKW-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209271 1315460493 /nfs/dbraw/zinc/46/04/93/1315460493.db2.gz MWHIOGYVQHSTBJ-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209883 1315461608 /nfs/dbraw/zinc/46/16/08/1315461608.db2.gz ZVIPDBSEJOWCIS-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001252552081 1315466654 /nfs/dbraw/zinc/46/66/54/1315466654.db2.gz SPMCMVLYTCRPQB-HXUWFJFHSA-N 2 0 344.499 2.920 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214050 1315468664 /nfs/dbraw/zinc/46/86/64/1315468664.db2.gz PVACMLMBNVSUOS-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597199 1315473134 /nfs/dbraw/zinc/47/31/34/1315473134.db2.gz WDKKRBOUUPQCKV-ZWKOTPCHSA-N 2 0 348.487 2.662 20 30 EFEDRP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001252599031 1315474828 /nfs/dbraw/zinc/47/48/28/1315474828.db2.gz WGBSAKJNHJBLDK-HXUWFJFHSA-N 2 0 344.499 2.681 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128327 1315508946 /nfs/dbraw/zinc/50/89/46/1315508946.db2.gz WKYXVBXYJFAGJC-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244506 1315515434 /nfs/dbraw/zinc/51/54/34/1315515434.db2.gz FYEDBZRJZRSBAP-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245542 1315516105 /nfs/dbraw/zinc/51/61/05/1315516105.db2.gz VGDJFZSYFOQZTQ-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245539 1315516694 /nfs/dbraw/zinc/51/66/94/1315516694.db2.gz VEVFAZJIECTRMT-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039137206 1315524118 /nfs/dbraw/zinc/52/41/18/1315524118.db2.gz QSYCFFZARWPCJR-IAGOWNOFSA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139551 1315527139 /nfs/dbraw/zinc/52/71/39/1315527139.db2.gz JAVPKMSANQGYMR-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139797 1315528861 /nfs/dbraw/zinc/52/88/61/1315528861.db2.gz JWKFYUHPWNKERG-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140791 1315529682 /nfs/dbraw/zinc/52/96/82/1315529682.db2.gz JPUSSIUBIWGPST-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140790 1315529828 /nfs/dbraw/zinc/52/98/28/1315529828.db2.gz JPUSSIUBIWGPST-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142812 1315533833 /nfs/dbraw/zinc/53/38/33/1315533833.db2.gz NODBEUJVXUYAOF-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145235 1315538202 /nfs/dbraw/zinc/53/82/02/1315538202.db2.gz XJAHRHTXOLJFDI-UXHICEINSA-N 2 0 345.531 2.607 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252982710 1315546375 /nfs/dbraw/zinc/54/63/75/1315546375.db2.gz LHWHZSVAJDQYMI-LJQANCHMSA-N 2 0 327.557 2.715 20 30 EFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555764 1315551041 /nfs/dbraw/zinc/55/10/41/1315551041.db2.gz XSLWPKPIUZALNT-HSALFYBXSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156713 1315553097 /nfs/dbraw/zinc/55/30/97/1315553097.db2.gz UJCBSPGNYKKHJA-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001039156714 1315553199 /nfs/dbraw/zinc/55/31/99/1315553199.db2.gz UJCBSPGNYKKHJA-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159543 1315556588 /nfs/dbraw/zinc/55/65/88/1315556588.db2.gz QSYCFFZARWPCJR-SJORKVTESA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253236136 1315583419 /nfs/dbraw/zinc/58/34/19/1315583419.db2.gz AESRWBLRZVCJLP-HSALFYBXSA-N 2 0 337.552 2.584 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974379 1315593637 /nfs/dbraw/zinc/59/36/37/1315593637.db2.gz JOROIULMFNNFLY-YRXWBPOGSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974378 1315593682 /nfs/dbraw/zinc/59/36/82/1315593682.db2.gz JOROIULMFNNFLY-AKHDSKFASA-N 2 0 333.520 2.937 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039213462 1315629808 /nfs/dbraw/zinc/62/98/08/1315629808.db2.gz KDGBGCDMLCTJKN-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2cnccc2OC)C1 ZINC001039216974 1315635666 /nfs/dbraw/zinc/63/56/66/1315635666.db2.gz BLFMZADKVIGQRX-WMZOPIPTSA-N 2 0 343.471 2.522 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnccc2OC)C1 ZINC001039216972 1315635862 /nfs/dbraw/zinc/63/58/62/1315635862.db2.gz BLFMZADKVIGQRX-FUHWJXTLSA-N 2 0 343.471 2.522 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224094 1315643854 /nfs/dbraw/zinc/64/38/54/1315643854.db2.gz CQDTWGBGLASYFZ-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228548 1315651079 /nfs/dbraw/zinc/65/10/79/1315651079.db2.gz JFYFUJLXNHRWSG-LPHOPBHVSA-N 2 0 338.455 2.837 20 30 EFEDRP N#C[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254038464 1315667908 /nfs/dbraw/zinc/66/79/08/1315667908.db2.gz IKRYVGNAFDXSIS-SFHVURJKSA-N 2 0 327.472 2.639 20 30 EFEDRP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241554 1315668916 /nfs/dbraw/zinc/66/89/16/1315668916.db2.gz CLOPBCZJWMWFFD-PMACEKPBSA-N 2 0 345.531 2.589 20 30 EFEDRP N#C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254049914 1315669282 /nfs/dbraw/zinc/66/92/82/1315669282.db2.gz SCWKIXDSWJWAQO-UAPYVXQJSA-N 2 0 327.472 2.685 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244849 1315674211 /nfs/dbraw/zinc/67/42/11/1315674211.db2.gz ZDSXMLXEKRTDIF-WOJBJXKFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247379 1315677546 /nfs/dbraw/zinc/67/75/46/1315677546.db2.gz VYTKISGCQJBVQP-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039277381 1315698470 /nfs/dbraw/zinc/69/84/70/1315698470.db2.gz MVSUACJHCSFASV-AYHJJNSGSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039280525 1315699760 /nfs/dbraw/zinc/69/97/60/1315699760.db2.gz PGQAEMRLNYAGOQ-MQVJKMGUSA-N 2 0 339.911 2.725 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039280903 1315700065 /nfs/dbraw/zinc/70/00/65/1315700065.db2.gz ROMYFDUQJAPUOZ-MVCQKVDPSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039296062 1315706290 /nfs/dbraw/zinc/70/62/90/1315706290.db2.gz YDBWHYXAQQOZMY-WJXKREEZSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039301750 1315708999 /nfs/dbraw/zinc/70/89/99/1315708999.db2.gz OUWRXJSSCDDFIM-QBUWPKIASA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001039307638 1315711385 /nfs/dbraw/zinc/71/13/85/1315711385.db2.gz QOAFCIGYZFABRQ-ALOPSCKCSA-N 2 0 342.487 2.839 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039313775 1315714619 /nfs/dbraw/zinc/71/46/19/1315714619.db2.gz PCVWMHQMSCBDOZ-NXEWRWPSSA-N 2 0 345.531 2.632 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[NH+](C)CC1)[C@@H]2CC ZINC001254517703 1315714796 /nfs/dbraw/zinc/71/47/96/1315714796.db2.gz JELBEXQNWXEFFE-GGPKGHCWSA-N 2 0 333.520 2.892 20 30 EFEDRP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001254645995 1315734640 /nfs/dbraw/zinc/73/46/40/1315734640.db2.gz IOAQZBJWQRKXSH-MUGJNUQGSA-N 2 0 330.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001001522415 1315735214 /nfs/dbraw/zinc/73/52/14/1315735214.db2.gz MTUYUZMMXMQTEI-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157764 1315746118 /nfs/dbraw/zinc/74/61/18/1315746118.db2.gz LAKQRNCQUOHHPF-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP N#CC1(N[C@@H]2CC3CC[NH+](CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254841806 1315748292 /nfs/dbraw/zinc/74/82/92/1315748292.db2.gz BJLKTFXZUJSEBG-HXUWFJFHSA-N 2 0 338.499 2.619 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384670 1315754657 /nfs/dbraw/zinc/75/46/57/1315754657.db2.gz ICQTYSPJGIFCTK-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384725 1315754708 /nfs/dbraw/zinc/75/47/08/1315754708.db2.gz KWKVDTYURBAUJE-AQNXPRMDSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388293 1315757604 /nfs/dbraw/zinc/75/76/04/1315757604.db2.gz KVQLVSYWOPFELB-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397290 1315764200 /nfs/dbraw/zinc/76/42/00/1315764200.db2.gz CKVPQGIOWDRIFF-MSOLQXFVSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415746 1315776378 /nfs/dbraw/zinc/77/63/78/1315776378.db2.gz UHEWDHQLHKYRBM-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050563345 1315782560 /nfs/dbraw/zinc/78/25/60/1315782560.db2.gz JNXADGTVMRQZSS-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050563465 1315782985 /nfs/dbraw/zinc/78/29/85/1315782985.db2.gz KWWDWVFLKGDDNH-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039424059 1315783001 /nfs/dbraw/zinc/78/30/01/1315783001.db2.gz ZHDTWVOAKFYRPH-OTWHNJEPSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001050766530 1315809778 /nfs/dbraw/zinc/80/97/78/1315809778.db2.gz QHMWFUZCEWJIDT-HZPDHXFCSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001050766521 1315809814 /nfs/dbraw/zinc/80/98/14/1315809814.db2.gz QAMNTKLRGBSDEV-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCN1CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1=O ZINC001255389306 1315815728 /nfs/dbraw/zinc/81/57/28/1315815728.db2.gz FLRRDRBJKJJZPR-PMACEKPBSA-N 2 0 341.499 2.808 20 30 EFEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474472 1315817556 /nfs/dbraw/zinc/81/75/56/1315817556.db2.gz KBKCKALTTPJXAS-AABGKKOBSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474780 1315818394 /nfs/dbraw/zinc/81/83/94/1315818394.db2.gz ZWJKDHLOUFLWGL-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039476187 1315819368 /nfs/dbraw/zinc/81/93/68/1315819368.db2.gz GJFJLJOKZWPXDM-SJORKVTESA-N 2 0 345.487 2.986 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052443829 1315947903 /nfs/dbraw/zinc/94/79/03/1315947903.db2.gz GKVQQLNXSLJTJG-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052443824 1315948165 /nfs/dbraw/zinc/94/81/65/1315948165.db2.gz GKVQQLNXSLJTJG-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C[C@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256537897 1315953917 /nfs/dbraw/zinc/95/39/17/1315953917.db2.gz QQQFYQHJEXZBML-PKOBYXMFSA-N 2 0 326.488 2.617 20 30 EFEDRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C2CCC(C#N)CC2)CC3)cn1 ZINC001256968022 1316015631 /nfs/dbraw/zinc/01/56/31/1316015631.db2.gz PEHKRSAPAUUCIG-UHFFFAOYSA-N 2 0 341.503 2.933 20 30 EFEDRP COC(=O)CC1CCC(N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CC1 ZINC001256980577 1316017581 /nfs/dbraw/zinc/01/75/81/1316017581.db2.gz APKDKFNYWNAVQI-UHFFFAOYSA-N 2 0 331.460 2.775 20 30 EFEDRP C=CCN1C(=O)CCC12CC[NH+](C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258012040 1316110068 /nfs/dbraw/zinc/11/00/68/1316110068.db2.gz PBWCZRZLHLRXTK-UHFFFAOYSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206915 1316143215 /nfs/dbraw/zinc/14/32/15/1316143215.db2.gz ARVYWHHPMPCYOG-FPOVZHCZSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240852 1316160797 /nfs/dbraw/zinc/16/07/97/1316160797.db2.gz KACNOSAEDALYEE-CTNGQTDRSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001040241691 1316161190 /nfs/dbraw/zinc/16/11/90/1316161190.db2.gz RCSXMMOHIMXJJY-PZJWPPBQSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040244012 1316163696 /nfs/dbraw/zinc/16/36/96/1316163696.db2.gz FMLTWIIMBZHMHG-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001040259410 1316169888 /nfs/dbraw/zinc/16/98/88/1316169888.db2.gz VCKZQDBPDSFMIG-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001258717159 1316172925 /nfs/dbraw/zinc/17/29/25/1316172925.db2.gz JGBUPWYLDRZGNC-IEBWSBKVSA-N 2 0 343.515 2.746 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258727807 1316173732 /nfs/dbraw/zinc/17/37/32/1316173732.db2.gz IUNCLXRNEXFMKF-YRXWBPOGSA-N 2 0 331.508 2.806 20 30 EFEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040265087 1316173919 /nfs/dbraw/zinc/17/39/19/1316173919.db2.gz VUPCGOYITXXEML-FQEVSTJZSA-N 2 0 336.439 2.514 20 30 EFEDRP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275244 1316178924 /nfs/dbraw/zinc/17/89/24/1316178924.db2.gz JUZCXHJIMAMWOW-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040281867 1316181925 /nfs/dbraw/zinc/18/19/25/1316181925.db2.gz SCKWABUELULKKW-IBGZPJMESA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298739 1316191280 /nfs/dbraw/zinc/19/12/80/1316191280.db2.gz ZIJHNDIWHDOCHH-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354912 1316217876 /nfs/dbraw/zinc/21/78/76/1316217876.db2.gz VGSGQBICZZATGA-BJLQDIEVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369563 1316225173 /nfs/dbraw/zinc/22/51/73/1316225173.db2.gz RBJPJJGNVCBSSR-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391989 1316238763 /nfs/dbraw/zinc/23/87/63/1316238763.db2.gz RYNVFGAIMCLAGN-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432170 1316262245 /nfs/dbraw/zinc/26/22/45/1316262245.db2.gz MKTQCGJFXSFIMR-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001040451211 1316274391 /nfs/dbraw/zinc/27/43/91/1316274391.db2.gz CBAOXFKCNYVBIG-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487713 1316289718 /nfs/dbraw/zinc/28/97/18/1316289718.db2.gz GNAZEIRBSJSWAY-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545567 1316316635 /nfs/dbraw/zinc/31/66/35/1316316635.db2.gz QWXYVPYFKYTNPH-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040702248 1316354667 /nfs/dbraw/zinc/35/46/67/1316354667.db2.gz SPXQXGMJNNEYCQ-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001040704422 1316355496 /nfs/dbraw/zinc/35/54/96/1316355496.db2.gz XBKZGJOIDDXHCO-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040708675 1316356774 /nfs/dbraw/zinc/35/67/74/1316356774.db2.gz XQRNIIXQRNVIPR-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040733149 1316362378 /nfs/dbraw/zinc/36/23/78/1316362378.db2.gz PQBKKKVUKDCWQZ-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001040741172 1316364547 /nfs/dbraw/zinc/36/45/47/1316364547.db2.gz QWPKGXNBGUZTAJ-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746657 1316365693 /nfs/dbraw/zinc/36/56/93/1316365693.db2.gz GBVIFEOQOCGPPC-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746734 1316365939 /nfs/dbraw/zinc/36/59/39/1316365939.db2.gz GUPFNYZLELVBLF-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040836062 1316385851 /nfs/dbraw/zinc/38/58/51/1316385851.db2.gz OQYRDJQIMCOZOJ-MRXNPFEDSA-N 2 0 341.927 2.640 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040874974 1316394610 /nfs/dbraw/zinc/39/46/10/1316394610.db2.gz NKTJZNAZCRNHHQ-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040913106 1316403470 /nfs/dbraw/zinc/40/34/70/1316403470.db2.gz XFCPZWLKORBTMA-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286993 1316502859 /nfs/dbraw/zinc/50/28/59/1316502859.db2.gz OKENURWIVFDBSB-RXVVDRJESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286987 1316503535 /nfs/dbraw/zinc/50/35/35/1316503535.db2.gz OKENURWIVFDBSB-GHTZIAJQSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041336358 1316518544 /nfs/dbraw/zinc/51/85/44/1316518544.db2.gz OKUPZVPSESFECC-IBGZPJMESA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339571 1316519975 /nfs/dbraw/zinc/51/99/75/1316519975.db2.gz PTEWJHLHTRZCME-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358031 1316526807 /nfs/dbraw/zinc/52/68/07/1316526807.db2.gz KPCQSGFYBGWEOK-TZIWHRDSSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586783 1316609098 /nfs/dbraw/zinc/60/90/98/1316609098.db2.gz MANWBEPQMYBWFG-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041744073 1316677626 /nfs/dbraw/zinc/67/76/26/1316677626.db2.gz UPOYWABLZKPEGM-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041845391 1316731484 /nfs/dbraw/zinc/73/14/84/1316731484.db2.gz XTMSTLMZISAJAF-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125238 1316896529 /nfs/dbraw/zinc/89/65/29/1316896529.db2.gz QIJQHKDKEBNLRY-IEBWSBKVSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133170 1316900901 /nfs/dbraw/zinc/90/09/01/1316900901.db2.gz IPIYJMCIBOQMPU-VQIMIIECSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001042162161 1316921983 /nfs/dbraw/zinc/92/19/83/1316921983.db2.gz GRPLJAXHENWDBY-AZUAARDMSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186184 1316939564 /nfs/dbraw/zinc/93/95/64/1316939564.db2.gz DRYMYKSFZBRYNY-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234172 1316997640 /nfs/dbraw/zinc/99/76/40/1316997640.db2.gz KPNBTDWNWSJPDC-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270564 1317069584 /nfs/dbraw/zinc/06/95/84/1317069584.db2.gz PZJRTFJRERBFJR-ICSRJNTNSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308379 1317129359 /nfs/dbraw/zinc/12/93/59/1317129359.db2.gz UWIBGHLQKHNCQE-UYAOXDASSA-N 2 0 345.531 2.607 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cc1C#N ZINC001279172316 1317203435 /nfs/dbraw/zinc/20/34/35/1317203435.db2.gz AKCSWZYQJCJSTE-UHFFFAOYSA-N 2 0 349.482 2.780 20 30 EFEDRP N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279233769 1317215326 /nfs/dbraw/zinc/21/53/26/1317215326.db2.gz UISPNDCWLMDYNX-OYRHEFFESA-N 2 0 349.482 2.599 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369235 1317225180 /nfs/dbraw/zinc/22/51/80/1317225180.db2.gz VALNDHDKUDGVAW-YLJYHZDGSA-N 2 0 341.499 2.861 20 30 EFEDRP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001281056410 1318001937 /nfs/dbraw/zinc/00/19/37/1318001937.db2.gz WIBUUHNMFKOJEQ-FQEVSTJZSA-N 2 0 347.547 2.883 20 30 EFEDRP N#Cc1cccc(NC(=O)CC[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC001327639713 1330503509 /nfs/dbraw/zinc/50/35/09/1330503509.db2.gz HMSBJAHURLSGCK-UHFFFAOYSA-N 2 0 340.471 2.598 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC001337896329 1331609910 /nfs/dbraw/zinc/60/99/10/1331609910.db2.gz ZYEHVSXHNVEJNL-RDGPPVDQSA-N 2 0 348.535 2.515 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001340840345 1332211837 /nfs/dbraw/zinc/21/18/37/1332211837.db2.gz WXGMXQYWAHZKQJ-QGZVFWFLSA-N 2 0 333.501 2.858 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001341072301 1332231656 /nfs/dbraw/zinc/23/16/56/1332231656.db2.gz OIMROIRRZCRGBW-RTBURBONSA-N 2 0 345.487 2.632 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001341585773 1332269533 /nfs/dbraw/zinc/26/95/33/1332269533.db2.gz RPUOOWWGJDBICO-MRXNPFEDSA-N 2 0 330.476 2.815 20 30 EFEDRP C#CC[NH+]1CCC(OC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC001344373092 1332447701 /nfs/dbraw/zinc/44/77/01/1332447701.db2.gz JLCZVCYPNASMKM-UHFFFAOYSA-N 2 0 328.456 2.783 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001001831820 1333571443 /nfs/dbraw/zinc/57/14/43/1333571443.db2.gz AMJFKLIJCYTFDV-GOSISDBHSA-N 2 0 344.503 2.548 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001002042318 1333979210 /nfs/dbraw/zinc/97/92/10/1333979210.db2.gz FRWXWWQRDFKGAY-UHFFFAOYSA-N 2 0 330.476 2.556 20 30 EFEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100680926 1334562809 /nfs/dbraw/zinc/56/28/09/1334562809.db2.gz MIMZAYAADMZPTC-UHFFFAOYSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200829106 1334623811 /nfs/dbraw/zinc/62/38/11/1334623811.db2.gz LUCUIINOLBSRDT-UHFFFAOYSA-N 2 0 335.517 2.970 20 30 EFEDRP CC[NH+](CC)[C@H](CNC(NCc1ccco1)=[NH+]C)Cc1ccccc1 ZINC000849032780 1335048752 /nfs/dbraw/zinc/04/87/52/1335048752.db2.gz ODJAGFOYQGDPBU-SFHVURJKSA-N 2 0 342.487 2.898 20 30 EFEDRP N#Cc1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000849061744 1335064218 /nfs/dbraw/zinc/06/42/18/1335064218.db2.gz GFQYIAKEDZMFNA-UHFFFAOYSA-N 2 0 347.466 2.837 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570789 1335316738 /nfs/dbraw/zinc/31/67/38/1335316738.db2.gz OZFKADNGEMVWAX-UHOSZYNNSA-N 2 0 329.488 2.697 20 30 EFEDRP CC/[NH+]=C(\N(C)C)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000849366923 1335599733 /nfs/dbraw/zinc/59/97/33/1335599733.db2.gz SBAYHOUULVGOAT-NHFXJNLRSA-N 2 0 328.504 2.912 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001366400687 1337559497 /nfs/dbraw/zinc/55/94/97/1337559497.db2.gz LQJZBCSQIWENOQ-ZDUSSCGKSA-N 2 0 341.908 2.614 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366850599 1338115893 /nfs/dbraw/zinc/11/58/93/1338115893.db2.gz RWNZWOYHNZMLGF-KRWDZBQOSA-N 2 0 349.906 2.943 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370309063 1340026136 /nfs/dbraw/zinc/02/61/36/1340026136.db2.gz DHCXGVAAODNLPF-KRWDZBQOSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001373282941 1340975460 /nfs/dbraw/zinc/97/54/60/1340975460.db2.gz VXFWWQFXXPWEQA-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCc2c[nH]cn2)CCCC[C@H]1C ZINC001373907844 1341198760 /nfs/dbraw/zinc/19/87/60/1341198760.db2.gz YGDRHMNHDIKGHR-DYVFJYSZSA-N 2 0 338.883 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001373965573 1341259769 /nfs/dbraw/zinc/25/97/69/1341259769.db2.gz SHFQEMLWURDHJM-QGZVFWFLSA-N 2 0 349.906 2.737 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001374424903 1341905744 /nfs/dbraw/zinc/90/57/44/1341905744.db2.gz FVEXWFRWTGCLNM-INIZCTEOSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001374569789 1342081951 /nfs/dbraw/zinc/08/19/51/1342081951.db2.gz FWYNDMFOCCNZPF-QZTJIDSGSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001375178737 1342494092 /nfs/dbraw/zinc/49/40/92/1342494092.db2.gz VVLFZNNRWPZJGC-DLBZAZTESA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001375451348 1342754917 /nfs/dbraw/zinc/75/49/17/1342754917.db2.gz ABBKILIXWIIDLV-UHFFFAOYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001375593294 1342910733 /nfs/dbraw/zinc/91/07/33/1342910733.db2.gz HAYNKRPHNOGLMF-KRWDZBQOSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001377671113 1344298664 /nfs/dbraw/zinc/29/86/64/1344298664.db2.gz BSTAAIJOLGQCGS-IRXDYDNUSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928973 1345434397 /nfs/dbraw/zinc/43/43/97/1345434397.db2.gz SOOCDPHONYFBOD-RDJZCZTQSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001379799415 1347347906 /nfs/dbraw/zinc/34/79/06/1347347906.db2.gz AJWJPLBSSMTTLV-DLBZAZTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001380269711 1347562878 /nfs/dbraw/zinc/56/28/78/1347562878.db2.gz OYVXBFQKSFDBJZ-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001380670191 1347802429 /nfs/dbraw/zinc/80/24/29/1347802429.db2.gz SMXJCXAYTOZSLH-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001382530297 1348995774 /nfs/dbraw/zinc/99/57/74/1348995774.db2.gz HYPXUHPTRMDWRC-HNNXBMFYSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001382530299 1348996222 /nfs/dbraw/zinc/99/62/22/1348996222.db2.gz HYPXUHPTRMDWRC-OAHLLOKOSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001391883994 1355620466 /nfs/dbraw/zinc/62/04/66/1355620466.db2.gz CTLOTIZGSBOTAN-GDBMZVCRSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001392736107 1356294701 /nfs/dbraw/zinc/29/47/01/1356294701.db2.gz LUFNZENVUHDFRR-DLBZAZTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001392736120 1356294872 /nfs/dbraw/zinc/29/48/72/1356294872.db2.gz LUFNZENVUHDFRR-SJORKVTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001392739470 1356296820 /nfs/dbraw/zinc/29/68/20/1356296820.db2.gz WZRRTVBZHJJZAM-HOTGVXAUSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCC1 ZINC001393549765 1356940692 /nfs/dbraw/zinc/94/06/92/1356940692.db2.gz PJFMEWZBKITGLN-UHFFFAOYSA-N 2 0 349.906 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001398688704 1360719199 /nfs/dbraw/zinc/71/91/99/1360719199.db2.gz IHUYCZRMJSHZCQ-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001400950983 1362290928 /nfs/dbraw/zinc/29/09/28/1362290928.db2.gz FQHXXYRJTNSVBH-INIZCTEOSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001401075170 1362416129 /nfs/dbraw/zinc/41/61/29/1362416129.db2.gz MAXQTGHMQXBYMK-OAHLLOKOSA-N 2 0 338.883 2.805 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001401083977 1362427559 /nfs/dbraw/zinc/42/75/59/1362427559.db2.gz WSAYRDTWGPPLQR-IBGZPJMESA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001401962924 1363279998 /nfs/dbraw/zinc/27/99/98/1363279998.db2.gz PEFNKLJSRFJZNC-MRXNPFEDSA-N 2 0 339.911 2.774 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001402064556 1363371551 /nfs/dbraw/zinc/37/15/51/1363371551.db2.gz ZMHNBNLPQNORTN-CABCVRRESA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001402615561 1363837891 /nfs/dbraw/zinc/83/78/91/1363837891.db2.gz PKMCNTALTKEDRT-QGZVFWFLSA-N 2 0 341.927 2.976 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001402762678 1364009669 /nfs/dbraw/zinc/00/96/69/1364009669.db2.gz BWNTVASHRQAPNY-IRXDYDNUSA-N 2 0 341.927 2.926 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001405712538 1366356074 /nfs/dbraw/zinc/35/60/74/1366356074.db2.gz COBHBGAVHGDDCK-HOCLYGCPSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001407255545 1368659483 /nfs/dbraw/zinc/65/94/83/1368659483.db2.gz BOARUMNZQIGXNC-SFHVURJKSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890806 1373377787 /nfs/dbraw/zinc/37/77/87/1373377787.db2.gz IBMCPPQGPGOJPG-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001437992394 1388304276 /nfs/dbraw/zinc/30/42/76/1388304276.db2.gz ASJPERMUSWUVGS-KRWDZBQOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001419317894 1375091913 /nfs/dbraw/zinc/09/19/13/1375091913.db2.gz VUNKTVVEKDFQTK-UHFFFAOYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001419332839 1375117086 /nfs/dbraw/zinc/11/70/86/1375117086.db2.gz JSTMNINWBPYNSC-QGZVFWFLSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001419556584 1375446288 /nfs/dbraw/zinc/44/62/88/1375446288.db2.gz BOLLCUKOPWTAKS-INIZCTEOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001419831247 1375952521 /nfs/dbraw/zinc/95/25/21/1375952521.db2.gz NQVDLNPABBUUCI-CVEARBPZSA-N 2 0 343.943 2.934 20 30 EFEDRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438344429 1388522422 /nfs/dbraw/zinc/52/24/22/1388522422.db2.gz ZQNHDDINNRAJDE-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001421620242 1378892266 /nfs/dbraw/zinc/89/22/66/1378892266.db2.gz LOTHXBGCXNDDCK-UHFFFAOYSA-N 2 0 347.890 2.773 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001421648158 1378939777 /nfs/dbraw/zinc/93/97/77/1378939777.db2.gz IDDHQZJSGCAJHN-QGZVFWFLSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001422045776 1379537815 /nfs/dbraw/zinc/53/78/15/1379537815.db2.gz FKGYVVARFZNNDU-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247748 1379854403 /nfs/dbraw/zinc/85/44/03/1379854403.db2.gz WPPJUQKZNBNXHH-DLBZAZTESA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001440988365 1391006628 /nfs/dbraw/zinc/00/66/28/1391006628.db2.gz LISJRDGCYSWFDP-IRXDYDNUSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507324003 1406888756 /nfs/dbraw/zinc/88/87/56/1406888756.db2.gz YGROCSRJXJAGJA-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479967441 1398052452 /nfs/dbraw/zinc/05/24/52/1398052452.db2.gz RULIEZXNWGBWLN-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001496865573 1401060718 /nfs/dbraw/zinc/06/07/18/1401060718.db2.gz XQORXWNZUQOBNN-HZPDHXFCSA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039132670 713468250 /nfs/dbraw/zinc/46/82/50/713468250.db2.gz AUQHMKWWYYZCAS-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039134328 713469902 /nfs/dbraw/zinc/46/99/02/713469902.db2.gz PFAFNGQJRFACAN-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980211755 717910416 /nfs/dbraw/zinc/91/04/16/717910416.db2.gz HORHQWBWOXCSQR-BBWFWOEESA-N 2 0 342.487 2.554 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205138 713918638 /nfs/dbraw/zinc/91/86/38/713918638.db2.gz KZOHGOYXHXDATQ-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620429 714188606 /nfs/dbraw/zinc/18/86/06/714188606.db2.gz UGXITPMUOMGGJH-LPHOPBHVSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569497 717960498 /nfs/dbraw/zinc/96/04/98/717960498.db2.gz CSJPIXPZMQENCA-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669955 714271341 /nfs/dbraw/zinc/27/13/41/714271341.db2.gz IYUICCCBCOPWKE-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683280 714297465 /nfs/dbraw/zinc/29/74/65/714297465.db2.gz XLRCPPUAUUNRSM-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021706766 714345931 /nfs/dbraw/zinc/34/59/31/714345931.db2.gz OVKPDYKCAZENCB-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711378 714349423 /nfs/dbraw/zinc/34/94/23/714349423.db2.gz VYCBWRCWPSGDHE-PMACEKPBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739993 714403807 /nfs/dbraw/zinc/40/38/07/714403807.db2.gz PXULICSVHINRQP-PMACEKPBSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681595 714879344 /nfs/dbraw/zinc/87/93/44/714879344.db2.gz FOEKCCXIIAVUFK-DLBZAZTESA-N 2 0 339.911 2.679 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617867 718027000 /nfs/dbraw/zinc/02/70/00/718027000.db2.gz MHBGODALIBDDHI-PMACEKPBSA-N 2 0 345.531 2.778 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000104162893 715254326 /nfs/dbraw/zinc/25/43/26/715254326.db2.gz KCMMGQPWDLXWBR-QGZVFWFLSA-N 2 0 346.519 2.749 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000104181497 715254629 /nfs/dbraw/zinc/25/46/29/715254629.db2.gz SYHOCMSYZVUQNR-AWEZNQCLSA-N 2 0 334.464 2.551 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009610433 715691524 /nfs/dbraw/zinc/69/15/24/715691524.db2.gz MILDXHVTWWMPMJ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027430748 715775031 /nfs/dbraw/zinc/77/50/31/715775031.db2.gz WZXXTVZYWUTUAI-INIZCTEOSA-N 2 0 335.517 2.922 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009141566 715978884 /nfs/dbraw/zinc/97/88/84/715978884.db2.gz BBVUKHMTJGMKMI-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027481093 715980406 /nfs/dbraw/zinc/98/04/06/715980406.db2.gz OZUKSFIMYYJNAJ-OAHLLOKOSA-N 2 0 332.835 2.623 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985470145 724439342 /nfs/dbraw/zinc/43/93/42/724439342.db2.gz LZALHTWIELAMLR-QGZVFWFLSA-N 2 0 341.927 2.925 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000303982192 724441394 /nfs/dbraw/zinc/44/13/94/724441394.db2.gz PWHMRLFUQGYARV-CVEARBPZSA-N 2 0 331.508 2.563 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507061 716108956 /nfs/dbraw/zinc/10/89/56/716108956.db2.gz HEUPMRMNFJVQIV-LJQANCHMSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647247 716305784 /nfs/dbraw/zinc/30/57/84/716305784.db2.gz MCMPEDCYOHBZAB-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542042 716374230 /nfs/dbraw/zinc/37/42/30/716374230.db2.gz HEIKEYNAKCUHGO-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694495 716548963 /nfs/dbraw/zinc/54/89/63/716548963.db2.gz AHSNATFUJLIUMC-IRXDYDNUSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694576 716549895 /nfs/dbraw/zinc/54/98/95/716549895.db2.gz CUQTWIJYVLWIDT-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508314 716557805 /nfs/dbraw/zinc/55/78/05/716557805.db2.gz NTLAFKIBVBVEQG-GOSISDBHSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC000978953517 716599787 /nfs/dbraw/zinc/59/97/87/716599787.db2.gz UIGBBTSUWDPQQT-OKYOBFRVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588700 716661695 /nfs/dbraw/zinc/66/16/95/716661695.db2.gz IXOBTNFYWGYOIU-IBGZPJMESA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979073791 716704972 /nfs/dbraw/zinc/70/49/72/716704972.db2.gz BAOCDFBSTXVZJW-OWZKRDHZSA-N 2 0 341.499 2.622 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC000979122368 716737740 /nfs/dbraw/zinc/73/77/40/716737740.db2.gz XLOOCJQOFVBRLK-NNZMDNLPSA-N 2 0 345.487 2.605 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601703 716916354 /nfs/dbraw/zinc/91/63/54/716916354.db2.gz GVBPUNJZOMIJMZ-IAGOWNOFSA-N 2 0 341.927 2.925 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763546 716975637 /nfs/dbraw/zinc/97/56/37/716975637.db2.gz RWEXPHNGFUMXIZ-KRWDZBQOSA-N 2 0 329.488 2.766 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769760 716990597 /nfs/dbraw/zinc/99/05/97/716990597.db2.gz FLMBHJVRORBISS-KRWDZBQOSA-N 2 0 345.487 2.587 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704075 717130605 /nfs/dbraw/zinc/13/06/05/717130605.db2.gz NBSYGTGAIUXXPG-AZUAARDMSA-N 2 0 329.488 2.572 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC001027942639 717369934 /nfs/dbraw/zinc/36/99/34/717369934.db2.gz FUEBJRHCWSLWPW-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985480606 724462653 /nfs/dbraw/zinc/46/26/53/724462653.db2.gz JJYBXHQDAGTPJI-HNNXBMFYSA-N 2 0 327.900 2.536 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC000980083329 717728961 /nfs/dbraw/zinc/72/89/61/717728961.db2.gz IBPZLAIHCIDUTO-ULQDDVLXSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980089209 717732588 /nfs/dbraw/zinc/73/25/88/717732588.db2.gz XJHSCEVMTZOXHS-OTWHNJEPSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC000980181551 717849362 /nfs/dbraw/zinc/84/93/62/717849362.db2.gz DUAKXPLZNPDPIE-ZCNNSNEGSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980173742 717857278 /nfs/dbraw/zinc/85/72/78/717857278.db2.gz SRDLZJCAFCEVEG-RCCFBDPRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187666 717875964 /nfs/dbraw/zinc/87/59/64/717875964.db2.gz KGLODSWRJHNNMH-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722905 717884377 /nfs/dbraw/zinc/88/43/77/717884377.db2.gz NBPHYXCLWYVNGW-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024647972 718056115 /nfs/dbraw/zinc/05/61/15/718056115.db2.gz CHPAPIHBPVOCRA-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712347 718105599 /nfs/dbraw/zinc/10/55/99/718105599.db2.gz VGHPKZLJRXIYOS-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750131 718136410 /nfs/dbraw/zinc/13/64/10/718136410.db2.gz MLMPZSGKWGZAHW-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750132 718136469 /nfs/dbraw/zinc/13/64/69/718136469.db2.gz MLMPZSGKWGZAHW-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024819277 718176609 /nfs/dbraw/zinc/17/66/09/718176609.db2.gz NMHBKJTVYIQYOJ-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240034 718459591 /nfs/dbraw/zinc/45/95/91/718459591.db2.gz KMVCAMHOVQNWRR-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240038 718459712 /nfs/dbraw/zinc/45/97/12/718459712.db2.gz KMVCAMHOVQNWRR-ZWKOTPCHSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248291 718469112 /nfs/dbraw/zinc/46/91/12/718469112.db2.gz YBMRKDILQDPCEF-MOPGFXCFSA-N 2 0 338.455 2.979 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265294 718486368 /nfs/dbraw/zinc/48/63/68/718486368.db2.gz DYBRKCSJISUHCB-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275656 718514269 /nfs/dbraw/zinc/51/42/69/718514269.db2.gz YDEBDUPAKXHRIX-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279639 718517416 /nfs/dbraw/zinc/51/74/16/718517416.db2.gz FOYPBIXFQPYNOU-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287819 718524881 /nfs/dbraw/zinc/52/48/81/718524881.db2.gz GVEBFQFGSPSRMB-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001025301867 718540399 /nfs/dbraw/zinc/54/03/99/718540399.db2.gz QHECIZMFLACXOX-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981270620 718583122 /nfs/dbraw/zinc/58/31/22/718583122.db2.gz JCNWQAJZGHJGAA-HUUCEWRRSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001029917003 724522213 /nfs/dbraw/zinc/52/22/13/724522213.db2.gz GADMUDQCGVROON-WOJBJXKFSA-N 2 0 341.499 2.760 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434620 718712082 /nfs/dbraw/zinc/71/20/82/718712082.db2.gz VYVVZIPLTMVEBJ-DLBZAZTESA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981538714 718797682 /nfs/dbraw/zinc/79/76/82/718797682.db2.gz RQNSTHIJVQPUOC-OALUTQOASA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981538715 718797687 /nfs/dbraw/zinc/79/76/87/718797687.db2.gz RQNSTHIJVQPUOC-RBUKOAKNSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001025420365 718799441 /nfs/dbraw/zinc/79/94/41/718799441.db2.gz AWHMVICDFJDRAN-DOTOQJQBSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000985518415 724535837 /nfs/dbraw/zinc/53/58/37/724535837.db2.gz LOXCXOJJWVVANB-QGZVFWFLSA-N 2 0 341.927 2.782 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433708 718838516 /nfs/dbraw/zinc/83/85/16/718838516.db2.gz OHEFXPODGUBCFA-JKSUJKDBSA-N 2 0 347.528 2.663 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450949 718881168 /nfs/dbraw/zinc/88/11/68/718881168.db2.gz OBTBYRKXKAYQEJ-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CCCCCC1 ZINC000305744857 724544542 /nfs/dbraw/zinc/54/45/42/724544542.db2.gz MRMXTWFKIUHEGQ-UHFFFAOYSA-N 2 0 338.565 2.975 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025460432 718913234 /nfs/dbraw/zinc/91/32/34/718913234.db2.gz IAISRANFXFQURG-ZBFHGGJFSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470666 718957562 /nfs/dbraw/zinc/95/75/62/718957562.db2.gz ZZLMOQHVAADSPI-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000981704840 718962273 /nfs/dbraw/zinc/96/22/73/718962273.db2.gz POUVTIUKEHPYOF-UHFFFAOYSA-N 2 0 338.455 2.986 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492940 719021079 /nfs/dbraw/zinc/02/10/79/719021079.db2.gz HFWCNDFKDQDZJR-PKOBYXMFSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981843222 719121474 /nfs/dbraw/zinc/12/14/74/719121474.db2.gz XBFUEZFIOHEHGN-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137026 719121823 /nfs/dbraw/zinc/12/18/23/719121823.db2.gz DKVLUVRXDUKCBN-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558333 719125080 /nfs/dbraw/zinc/12/50/80/719125080.db2.gz MIWOMPGDENZIJO-FXAWDEMLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981865356 719143551 /nfs/dbraw/zinc/14/35/51/719143551.db2.gz QNEUCCPDFWSBKQ-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583672 719164816 /nfs/dbraw/zinc/16/48/16/719164816.db2.gz AXXYSWZQKQDBBC-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591295 719183627 /nfs/dbraw/zinc/18/36/27/719183627.db2.gz ZQKJHMLUBXJLHV-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624061 719241910 /nfs/dbraw/zinc/24/19/10/719241910.db2.gz AXUSACMIRKLBNW-FXAWDEMLSA-N 2 0 341.499 2.602 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630940 719258509 /nfs/dbraw/zinc/25/85/09/719258509.db2.gz XDEVIKGXTILSIX-QZTJIDSGSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631001 719259044 /nfs/dbraw/zinc/25/90/44/719259044.db2.gz YCRLWTGKXMZMBU-IRXDYDNUSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052763 719507796 /nfs/dbraw/zinc/50/77/96/719507796.db2.gz ZJEQAHCHZWWVMU-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062673 719516728 /nfs/dbraw/zinc/51/67/28/719516728.db2.gz BIFLOLUXVCPJHZ-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116260 719573847 /nfs/dbraw/zinc/57/38/47/719573847.db2.gz IMMLDRXQPWVNCC-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163733 719608720 /nfs/dbraw/zinc/60/87/20/719608720.db2.gz QQHYJQUCBXIBFO-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275481 719773744 /nfs/dbraw/zinc/77/37/44/719773744.db2.gz IRSVFHDLRDTKHQ-YSIASYRMSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292536 719822340 /nfs/dbraw/zinc/82/23/40/719822340.db2.gz NWVJCKDIOYZHMQ-SESVDKBCSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300339 719855596 /nfs/dbraw/zinc/85/55/96/719855596.db2.gz WDZTZXMDWSUMDH-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001026266319 720073493 /nfs/dbraw/zinc/07/34/93/720073493.db2.gz DTBFGECPNDEUHN-RCCFBDPRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001026298107 720175037 /nfs/dbraw/zinc/17/50/37/720175037.db2.gz KFZJXHUMTKVNIU-KFKAGJAMSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]12 ZINC001026298106 720175243 /nfs/dbraw/zinc/17/52/43/720175243.db2.gz KFZJXHUMTKVNIU-AYOQOUSVSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4nccn43)C[C@@H]12 ZINC001026312286 720211039 /nfs/dbraw/zinc/21/10/39/720211039.db2.gz UIZFOFNYISIIJI-RBSFLKMASA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001026505651 720682651 /nfs/dbraw/zinc/68/26/51/720682651.db2.gz LCLINMWRYRQMQK-KLAILNCOSA-N 2 0 341.927 2.734 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001026533987 720720442 /nfs/dbraw/zinc/72/04/42/720720442.db2.gz PFSSMMCAIZCGAB-UHFFFAOYSA-N 2 0 329.488 2.607 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)CC1 ZINC001026609700 720819996 /nfs/dbraw/zinc/81/99/96/720819996.db2.gz SMNDPZPIRVDDTH-UHFFFAOYSA-N 2 0 345.531 2.539 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541880 720983814 /nfs/dbraw/zinc/98/38/14/720983814.db2.gz GSGBEOIFUAJIFA-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028572804 721035605 /nfs/dbraw/zinc/03/56/05/721035605.db2.gz DOSHNMKTXIKNBQ-HNNXBMFYSA-N 2 0 335.517 2.828 20 30 EFEDRP 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 ZINC000982725874 721132082 /nfs/dbraw/zinc/13/20/82/721132082.db2.gz PDCHWAQQPUWOJS-UKAVVXHISA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982833532 721309188 /nfs/dbraw/zinc/30/91/88/721309188.db2.gz MUCSTOSJTCJGND-SESVDKBCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974757322 721393505 /nfs/dbraw/zinc/39/35/05/721393505.db2.gz HQGZZDPHPYFDLO-QZTJIDSGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974757328 721393563 /nfs/dbraw/zinc/39/35/63/721393563.db2.gz HQGZZDPHPYFDLO-ZWKOTPCHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862408 721484249 /nfs/dbraw/zinc/48/42/49/721484249.db2.gz KAPAYQNZGPADCX-ZWKOTPCHSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000338 722616573 /nfs/dbraw/zinc/61/65/73/722616573.db2.gz BOMBQFLSXZKSRD-KRWDZBQOSA-N 2 0 329.488 2.766 20 30 EFEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000894863555 722913081 /nfs/dbraw/zinc/91/30/81/722913081.db2.gz IEXMHQPISIHYBW-FPOVZHCZSA-N 2 0 325.500 2.899 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947802325 723411457 /nfs/dbraw/zinc/41/14/57/723411457.db2.gz XYJYUHMGGUUMNT-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262423344 723898923 /nfs/dbraw/zinc/89/89/23/723898923.db2.gz AXGZQSGROKPZMD-RDJZCZTQSA-N 2 0 344.503 2.925 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000985801981 724897131 /nfs/dbraw/zinc/89/71/31/724897131.db2.gz LNXNTVZSVMFDMA-INIZCTEOSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000985804466 724899099 /nfs/dbraw/zinc/89/90/99/724899099.db2.gz PVISKXUTHXGLBN-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000985805894 724899477 /nfs/dbraw/zinc/89/94/77/724899477.db2.gz ZMCNEIQGUQXSKA-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985804543 724899505 /nfs/dbraw/zinc/89/95/05/724899505.db2.gz RLMFHHYDBBDJMI-KRWDZBQOSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992017333 725465821 /nfs/dbraw/zinc/46/58/21/725465821.db2.gz ZNEWJOWSSNCGCC-QWFCFKBJSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992292913 725683964 /nfs/dbraw/zinc/68/39/64/725683964.db2.gz DTGHQNUNHMOBKP-CMKODMSKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001040728070 725735303 /nfs/dbraw/zinc/73/53/03/725735303.db2.gz ZGMDWLLITFYHGI-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987551434 725748377 /nfs/dbraw/zinc/74/83/77/725748377.db2.gz OCOALCAAWQXQGP-PBHICJAKSA-N 2 0 335.879 2.693 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992508323 725911680 /nfs/dbraw/zinc/91/16/80/725911680.db2.gz LUKKDBDMGFXCRN-QUCCMNQESA-N 2 0 327.472 2.661 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992508304 725911713 /nfs/dbraw/zinc/91/17/13/725911713.db2.gz LUKKDBDMGFXCRN-AZUAARDMSA-N 2 0 327.472 2.661 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC000992747769 726164558 /nfs/dbraw/zinc/16/45/58/726164558.db2.gz ZNJYJHMFZJDJAW-ATZDWAIDSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209375 726317247 /nfs/dbraw/zinc/31/72/47/726317247.db2.gz IZJOGSNPWZHQTI-NLWGTHIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040756497 726411264 /nfs/dbraw/zinc/41/12/64/726411264.db2.gz CORBVHHKYWWDNC-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993357989 727160404 /nfs/dbraw/zinc/16/04/04/727160404.db2.gz YBTFUVJLRSGJGJ-RDJZCZTQSA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498056 727283575 /nfs/dbraw/zinc/28/35/75/727283575.db2.gz DKUIFVYETCYPLZ-YJBOKZPZSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993617019 727327211 /nfs/dbraw/zinc/32/72/11/727327211.db2.gz RUGRRFHOLFXAAI-YJBOKZPZSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630191 727348588 /nfs/dbraw/zinc/34/85/88/727348588.db2.gz KNSXLVKKULWFSV-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C(C)C ZINC000917069810 727764046 /nfs/dbraw/zinc/76/40/46/727764046.db2.gz WGXNZWZYEZKLLW-UHFFFAOYSA-N 2 0 343.515 2.926 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503545 727772808 /nfs/dbraw/zinc/77/28/08/727772808.db2.gz WDXWTPNCQIHFNE-IEBWSBKVSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503559 727772975 /nfs/dbraw/zinc/77/29/75/727772975.db2.gz WDXWTPNCQIHFNE-PKOBYXMFSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994503342 727772997 /nfs/dbraw/zinc/77/29/97/727772997.db2.gz VHXDRASYZLPVDV-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991468468 727878076 /nfs/dbraw/zinc/87/80/76/727878076.db2.gz CDIUPGBPIMTEJP-QUCCMNQESA-N 2 0 338.455 2.946 20 30 EFEDRP C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000156872611 727993522 /nfs/dbraw/zinc/99/35/22/727993522.db2.gz QUOAGELIRVPJLZ-OKILXGFUSA-N 2 0 349.523 2.713 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](C)C1 ZINC000942179518 728351424 /nfs/dbraw/zinc/35/14/24/728351424.db2.gz BHFTUECDFHVXLX-RDJZCZTQSA-N 2 0 332.492 2.719 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000170909624 728494344 /nfs/dbraw/zinc/49/43/44/728494344.db2.gz OQXNMELUQXLKGF-KXBFYZLASA-N 2 0 332.492 2.610 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000948829346 728529294 /nfs/dbraw/zinc/52/92/94/728529294.db2.gz LAAQCRIIUKUKBM-MOPGFXCFSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849782 1088119378 /nfs/dbraw/zinc/11/93/78/1088119378.db2.gz QUTMHMMOCFHDNW-ROUUACIJSA-N 2 0 349.906 2.968 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001574852641 1088121780 /nfs/dbraw/zinc/12/17/80/1088121780.db2.gz XHGURLUKVUIUMU-QZTJIDSGSA-N 2 0 349.906 2.825 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC001574892947 1088141408 /nfs/dbraw/zinc/14/14/08/1088141408.db2.gz MCNFIJUVCLOQBO-TZIWHRDSSA-N 2 0 341.499 2.856 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001574902791 1088143715 /nfs/dbraw/zinc/14/37/15/1088143715.db2.gz GXUNIZWCIMHGMQ-MOPGFXCFSA-N 2 0 329.488 2.932 20 30 EFEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CC[C@@H]([NH3+])C1 ZINC001574954669 1088170627 /nfs/dbraw/zinc/17/06/27/1088170627.db2.gz PKIQXZNDOFFOHX-JKSUJKDBSA-N 2 0 349.548 2.712 20 30 EFEDRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC001578687493 1090420139 /nfs/dbraw/zinc/42/01/39/1090420139.db2.gz RIXLBEGVEQLYSQ-CYBMUJFWSA-N 2 0 348.516 2.614 20 30 EFEDRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC001578687494 1090420486 /nfs/dbraw/zinc/42/04/86/1090420486.db2.gz RIXLBEGVEQLYSQ-ZDUSSCGKSA-N 2 0 348.516 2.614 20 30 EFEDRP Cc1cc(NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ncc1C#N ZINC001579635190 1090648020 /nfs/dbraw/zinc/64/80/20/1090648020.db2.gz AHXZWCLXRUHAOY-UHFFFAOYSA-N 2 0 335.455 2.667 20 30 EFEDRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H]([NH3+])CCCCC#N ZINC001579738564 1090676021 /nfs/dbraw/zinc/67/60/21/1090676021.db2.gz QWSIJCFDKAPBGA-YQVWRLOYSA-N 2 0 340.471 2.541 20 30 EFEDRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]([NH3+])CCCCC#N ZINC001579738561 1090676206 /nfs/dbraw/zinc/67/62/06/1090676206.db2.gz QWSIJCFDKAPBGA-SCTDSRPQSA-N 2 0 340.471 2.541 20 30 EFEDRP N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC001580078276 1090765867 /nfs/dbraw/zinc/76/58/67/1090765867.db2.gz SCAKLOBLYNNOOC-RLLQIKCJSA-N 2 0 343.471 2.688 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454311 1093047484 /nfs/dbraw/zinc/04/74/84/1093047484.db2.gz QJCHRIIOBBUFIW-AZUAARDMSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211560369 1093152754 /nfs/dbraw/zinc/15/27/54/1093152754.db2.gz GCUSIAOEPLQOGX-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001075457535 1093195034 /nfs/dbraw/zinc/19/50/34/1093195034.db2.gz VKWWYJCBLJNVPO-SFHVURJKSA-N 2 0 347.547 2.855 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458834 1093237441 /nfs/dbraw/zinc/23/74/41/1093237441.db2.gz QJCHRIIOBBUFIW-QUCCMNQESA-N 2 0 347.547 2.691 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001104482529 1093521070 /nfs/dbraw/zinc/52/10/70/1093521070.db2.gz UUVJJWZUSWXHEJ-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518365 1094585929 /nfs/dbraw/zinc/58/59/29/1094585929.db2.gz FXEIJXAWMYRLGS-PXNSSMCTSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683873 1094631806 /nfs/dbraw/zinc/63/18/06/1094631806.db2.gz RSTMIIMVSAVMRR-GDBMZVCRSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530101 1094871005 /nfs/dbraw/zinc/87/10/05/1094871005.db2.gz DIKYYQXWDNMVOD-PXNSSMCTSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C(C)(C)[C@@H]21 ZINC001087295894 1095045397 /nfs/dbraw/zinc/04/53/97/1095045397.db2.gz PYMQDWHEGWTBJW-KZNAEPCWSA-N 2 0 338.455 2.739 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301916 1095140616 /nfs/dbraw/zinc/14/06/16/1095140616.db2.gz KKULCTHXCXZXFM-QRVBRYPASA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087302529 1095147918 /nfs/dbraw/zinc/14/79/18/1095147918.db2.gz VIEFXUQVUPWKLA-SQNIBIBYSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccnc3C(C)C)C(C)(C)[C@H]21 ZINC001087306355 1095192186 /nfs/dbraw/zinc/19/21/86/1095192186.db2.gz HUNZQHDDYJMFLL-NXHRZFHOSA-N 2 0 344.503 2.798 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309099 1095234374 /nfs/dbraw/zinc/23/43/74/1095234374.db2.gz ANFQOAOXHCIGKX-RLLQIKCJSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@H]21 ZINC001087309719 1095234653 /nfs/dbraw/zinc/23/46/53/1095234653.db2.gz KTELEVLPSVQNDR-OLMNPRSZSA-N 2 0 330.476 2.524 20 30 EFEDRP C[NH2+]CCNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001167721845 1095464593 /nfs/dbraw/zinc/46/45/93/1095464593.db2.gz QQBHXNDHVZMDAV-UHFFFAOYSA-N 2 0 349.482 2.770 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC000981914035 1095617757 /nfs/dbraw/zinc/61/77/57/1095617757.db2.gz DIQDWYQROXGLFF-UHFFFAOYSA-N 2 0 341.499 2.515 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167694089 1095633804 /nfs/dbraw/zinc/63/38/04/1095633804.db2.gz CFZLUJKYFOHXJX-UHFFFAOYSA-N 2 0 347.547 2.951 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104755004 1095712220 /nfs/dbraw/zinc/71/22/20/1095712220.db2.gz ORFGRPGTDLTHAR-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167699214 1096004896 /nfs/dbraw/zinc/00/48/96/1096004896.db2.gz GOWKYXIWWDLTAV-HXUWFJFHSA-N 2 0 343.515 2.916 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167700458 1096023839 /nfs/dbraw/zinc/02/38/39/1096023839.db2.gz PWQYNYDYJPWXOY-FQEVSTJZSA-N 2 0 343.515 2.916 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988313 1096140527 /nfs/dbraw/zinc/14/05/27/1096140527.db2.gz BLTUHXWSHPICQD-ICSRJNTNSA-N 2 0 333.520 2.799 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167709692 1096217853 /nfs/dbraw/zinc/21/78/53/1096217853.db2.gz BSSWFXPUHZIOOW-SFHVURJKSA-N 2 0 329.488 2.742 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167709691 1096219074 /nfs/dbraw/zinc/21/90/74/1096219074.db2.gz BSSWFXPUHZIOOW-GOSISDBHSA-N 2 0 329.488 2.742 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443622 1096632390 /nfs/dbraw/zinc/63/23/90/1096632390.db2.gz WGXWMTJRVDXADH-WOJBJXKFSA-N 2 0 341.499 2.633 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481956637 1096994840 /nfs/dbraw/zinc/99/48/40/1096994840.db2.gz BAWCJTQLHPOMRT-KDOFPFPSSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104860310 1098795687 /nfs/dbraw/zinc/79/56/87/1098795687.db2.gz BJKGYLYEWWRUDF-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001104896515 1098935058 /nfs/dbraw/zinc/93/50/58/1098935058.db2.gz CIDSUIJDCGJGFM-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494639 1099047316 /nfs/dbraw/zinc/04/73/16/1099047316.db2.gz ZTYJDPGRJJLNRH-QRVBRYPASA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCCCC1 ZINC001115559533 1099310873 /nfs/dbraw/zinc/31/08/73/1099310873.db2.gz ADXKWSBSNXHXFQ-MRXNPFEDSA-N 2 0 327.488 2.651 20 30 EFEDRP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010383 1099357809 /nfs/dbraw/zinc/35/78/09/1099357809.db2.gz JFTBDLLFWNMXAB-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001105064148 1099533232 /nfs/dbraw/zinc/53/32/32/1099533232.db2.gz ZQJQOPPOBGTKEF-IAGOWNOFSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087423057 1099712347 /nfs/dbraw/zinc/71/23/47/1099712347.db2.gz INRFGZAVEBODDA-AQNXPRMDSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675396 1099762231 /nfs/dbraw/zinc/76/22/31/1099762231.db2.gz QDBYTBNJYSZBAM-XUVXKRRUSA-N 2 0 343.515 2.877 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793383 1100041514 /nfs/dbraw/zinc/04/15/14/1100041514.db2.gz AUNVUWQONONZKE-NLWGTHIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105396174 1100561932 /nfs/dbraw/zinc/56/19/32/1100561932.db2.gz IMMWKJKGOQBNHI-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001105395951 1100569411 /nfs/dbraw/zinc/56/94/11/1100569411.db2.gz GCVPRMQHOVYBPB-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723903 1100702116 /nfs/dbraw/zinc/70/21/16/1100702116.db2.gz LUOPXRNRGGSIKS-FCEWJHQRSA-N 2 0 339.499 2.744 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087838854 1100849542 /nfs/dbraw/zinc/84/95/42/1100849542.db2.gz YFBBFCRBEJKUJB-RBUKOAKNSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840583 1100856643 /nfs/dbraw/zinc/85/66/43/1100856643.db2.gz DIQVCBHHIFEDKZ-RBUKOAKNSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167095650 1101620690 /nfs/dbraw/zinc/62/06/90/1101620690.db2.gz FUYSYXRRTVJGBL-SXLOBPIMSA-N 2 0 343.515 2.782 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]2C1 ZINC001088210666 1101882851 /nfs/dbraw/zinc/88/28/51/1101882851.db2.gz VRYFSBGCVSJVIG-UXHICEINSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001167232728 1102097497 /nfs/dbraw/zinc/09/74/97/1102097497.db2.gz OGSWYQNYWSUAPU-IBGZPJMESA-N 2 0 339.499 2.651 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240335 1102124500 /nfs/dbraw/zinc/12/45/00/1102124500.db2.gz JFSZNZGGTFKAKM-QGZVFWFLSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104368802 1102314277 /nfs/dbraw/zinc/31/42/77/1102314277.db2.gz LFZQDOAAUCLCRC-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104373453 1102370128 /nfs/dbraw/zinc/37/01/28/1102370128.db2.gz PXMAOVSOYNSHDP-NVXWUHKLSA-N 2 0 340.471 2.907 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264840 1102395933 /nfs/dbraw/zinc/39/59/33/1102395933.db2.gz HOYAZUXTWMQTSC-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001104287973 1102592346 /nfs/dbraw/zinc/59/23/46/1102592346.db2.gz OFEHHBZBDNTDEE-KZNAEPCWSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294721 1102879716 /nfs/dbraw/zinc/87/97/16/1102879716.db2.gz YOWFBAQGCSWVNA-KZNAEPCWSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088329903 1102941617 /nfs/dbraw/zinc/94/16/17/1102941617.db2.gz KAVHGDZSZVDRBG-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001088370039 1103205876 /nfs/dbraw/zinc/20/58/76/1103205876.db2.gz YSPZSPGUFPMJOF-KRWDZBQOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375673 1103233827 /nfs/dbraw/zinc/23/38/27/1103233827.db2.gz NCYLVSIZRBBJJP-HZPDHXFCSA-N 2 0 329.916 2.686 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001088381282 1103335890 /nfs/dbraw/zinc/33/58/90/1103335890.db2.gz AYCOQBPMCBBJEQ-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381261 1103337137 /nfs/dbraw/zinc/33/71/37/1103337137.db2.gz AOJIWBINZJAHSW-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379700 1104131739 /nfs/dbraw/zinc/13/17/39/1104131739.db2.gz ODFWQGAPNXNVDK-PMACEKPBSA-N 2 0 334.504 2.687 20 30 EFEDRP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001101595564 1104511456 /nfs/dbraw/zinc/51/14/56/1104511456.db2.gz IGSCGESZDDLAPK-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439959 1104595016 /nfs/dbraw/zinc/59/50/16/1104595016.db2.gz KCAQEEWYXCWKRQ-IRXDYDNUSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622088 1105523108 /nfs/dbraw/zinc/52/31/08/1105523108.db2.gz GTGKZJHZNFZQEE-HYVNUMGLSA-N 2 0 339.911 2.725 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105517380 1105864350 /nfs/dbraw/zinc/86/43/50/1105864350.db2.gz BCPVXCZFYOPJFC-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001105518084 1105865194 /nfs/dbraw/zinc/86/51/94/1105865194.db2.gz QKCBDEAVWNHVHY-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+]2CCC[C@@H]2C)CCC1 ZINC001105560877 1105939068 /nfs/dbraw/zinc/93/90/68/1105939068.db2.gz FBCQGSBESFYYSE-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105575089 1105961545 /nfs/dbraw/zinc/96/15/45/1105961545.db2.gz QPQYZBCYKLUKBT-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989450592 1106202994 /nfs/dbraw/zinc/20/29/94/1106202994.db2.gz OGEMILSFCMWMIY-MAUKXSAKSA-N 2 0 349.906 2.736 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989562914 1106446279 /nfs/dbraw/zinc/44/62/79/1106446279.db2.gz SHMSQHZXENRTHC-RHSMWYFYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241313 1106487464 /nfs/dbraw/zinc/48/74/64/1106487464.db2.gz NEEBJIKMLARJPA-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737671 1106614010 /nfs/dbraw/zinc/61/40/10/1106614010.db2.gz VPFZUAYTUKDTJA-UHFFFAOYSA-N 2 0 329.488 2.862 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825854 1106699885 /nfs/dbraw/zinc/69/98/85/1106699885.db2.gz KDZNMRMLNQOJOE-PBHICJAKSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862842 1106763240 /nfs/dbraw/zinc/76/32/40/1106763240.db2.gz XINLTCZQPUWGMY-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327089 1106875687 /nfs/dbraw/zinc/87/56/87/1106875687.db2.gz PLHWFIPMOFKQAJ-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106413 1107504306 /nfs/dbraw/zinc/50/43/06/1107504306.db2.gz FLBYNCCDIFMFBL-ROUUACIJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115627 1107688551 /nfs/dbraw/zinc/68/85/51/1107688551.db2.gz IDDSDSSDXVJEIK-CVEARBPZSA-N 2 0 343.943 2.932 20 30 EFEDRP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001099131235 1107912310 /nfs/dbraw/zinc/91/23/10/1107912310.db2.gz YORLDUWTZYIWJJ-SFHVURJKSA-N 2 0 347.547 2.879 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393361 1108333989 /nfs/dbraw/zinc/33/39/89/1108333989.db2.gz AZBRIISYRYXSPF-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168455004 1108660777 /nfs/dbraw/zinc/66/07/77/1108660777.db2.gz QGQAUVLSIKMUBK-UHFFFAOYSA-N 2 0 341.927 2.881 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990766526 1109231237 /nfs/dbraw/zinc/23/12/37/1109231237.db2.gz VXOCLRVFLYTHON-JRBPQWBISA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323789 1109767268 /nfs/dbraw/zinc/76/72/68/1109767268.db2.gz GWCLRBZDDCXTNQ-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076446815 1109841253 /nfs/dbraw/zinc/84/12/53/1109841253.db2.gz BQWRDNJBQGENSV-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@@H]2C1 ZINC001076627202 1109970186 /nfs/dbraw/zinc/97/01/86/1109970186.db2.gz ZANSIBFVVMWRNO-FUHWJXTLSA-N 2 0 345.487 2.844 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249163 1111220543 /nfs/dbraw/zinc/22/05/43/1111220543.db2.gz BCOYTDFNNRRVJF-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249165 1111220769 /nfs/dbraw/zinc/22/07/69/1111220769.db2.gz BEDVZDMOURZXHJ-BHIYHBOVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001106308820 1111396388 /nfs/dbraw/zinc/39/63/88/1111396388.db2.gz BWFZHZOVZATTGT-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357899 1111455112 /nfs/dbraw/zinc/45/51/12/1111455112.db2.gz PDOICCDOMOTKJG-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370815 1111468189 /nfs/dbraw/zinc/46/81/89/1111468189.db2.gz BMDQZBVJYOTRND-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106432573 1111522234 /nfs/dbraw/zinc/52/22/34/1111522234.db2.gz YKKKYOMQMNUWSH-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229211 1111563022 /nfs/dbraw/zinc/56/30/22/1111563022.db2.gz HRIRHULITQGTIT-ROUUACIJSA-N 2 0 335.536 2.737 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001106471597 1111564312 /nfs/dbraw/zinc/56/43/12/1111564312.db2.gz BKTFNRVENDPEIE-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479548 1111570775 /nfs/dbraw/zinc/57/07/75/1111570775.db2.gz GMGIOIPPBIHKAH-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106594191 1111658292 /nfs/dbraw/zinc/65/82/92/1111658292.db2.gz OPZGLKUYCVEPPP-QZTJIDSGSA-N 2 0 337.552 2.983 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666814 1111708895 /nfs/dbraw/zinc/70/88/95/1111708895.db2.gz WNBTXAHBLVFHMC-IPMKNSEASA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728288 1111769857 /nfs/dbraw/zinc/76/98/57/1111769857.db2.gz CBDWUYWDUQKSDQ-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728693 1111770816 /nfs/dbraw/zinc/77/08/16/1111770816.db2.gz NPBRBZDXMLYNSD-DJIMGWMZSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001106775418 1111821338 /nfs/dbraw/zinc/82/13/38/1111821338.db2.gz CZSSZCJQKJQPPJ-NVXWUHKLSA-N 2 0 343.943 2.935 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001112396769 1111838773 /nfs/dbraw/zinc/83/87/73/1111838773.db2.gz CXDYWVZONVINHA-HKUYNNGSSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860373 1111918217 /nfs/dbraw/zinc/91/82/17/1111918217.db2.gz WSCWZJCOXWRMNA-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862587 1111921718 /nfs/dbraw/zinc/92/17/18/1111921718.db2.gz KPAWILKZKZONJZ-OPYAIIAOSA-N 2 0 343.515 2.724 20 30 EFEDRP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099310449 1112008482 /nfs/dbraw/zinc/00/84/82/1112008482.db2.gz MTOQWYQPCDQTHM-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310483 1112009093 /nfs/dbraw/zinc/00/90/93/1112009093.db2.gz NREXACORGPPEJX-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089388429 1112052810 /nfs/dbraw/zinc/05/28/10/1112052810.db2.gz CBBNKBPTCCHAAG-OWCLPIDISA-N 2 0 341.927 2.686 20 30 EFEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402428 1112072799 /nfs/dbraw/zinc/07/27/99/1112072799.db2.gz GRPDNMQYGIAAMR-ROUUACIJSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089406592 1112078526 /nfs/dbraw/zinc/07/85/26/1112078526.db2.gz NXXBBWAYTFXTTP-PKOBYXMFSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407223 1112079976 /nfs/dbraw/zinc/07/99/76/1112079976.db2.gz XIIYWNFJVWZICO-MOPGFXCFSA-N 2 0 347.547 2.879 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423356 1112107706 /nfs/dbraw/zinc/10/77/06/1112107706.db2.gz ILILBRUQIYKFRA-IRXDYDNUSA-N 2 0 344.503 2.628 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089428508 1112119944 /nfs/dbraw/zinc/11/99/44/1112119944.db2.gz YPPXYSBLCOOIMM-RTBURBONSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443166 1112152365 /nfs/dbraw/zinc/15/23/65/1112152365.db2.gz YQABBZNOSNWISK-MRXNPFEDSA-N 2 0 326.444 2.741 20 30 EFEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089471770 1112196279 /nfs/dbraw/zinc/19/62/79/1112196279.db2.gz ABFPOAYKONROGY-RBUKOAKNSA-N 2 0 347.547 2.739 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477909 1112203249 /nfs/dbraw/zinc/20/32/49/1112203249.db2.gz PEIFNCYOHJPULL-KRWDZBQOSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477031 1112204277 /nfs/dbraw/zinc/20/42/77/1112204277.db2.gz JVLBWMMBCQGTOF-BZSNNMDCSA-N 2 0 335.536 2.900 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511251 1112255368 /nfs/dbraw/zinc/25/53/68/1112255368.db2.gz OYAGIMOWQAIVQB-MOPGFXCFSA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510306 1112260336 /nfs/dbraw/zinc/26/03/36/1112260336.db2.gz QMWLSTUUEHBBNB-OALUTQOASA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560242 1112308345 /nfs/dbraw/zinc/30/83/45/1112308345.db2.gz AIDHVTIVERBWIR-LJQANCHMSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001483914757 1112555883 /nfs/dbraw/zinc/55/58/83/1112555883.db2.gz RALXJICLZXBSPZ-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663898 1112608242 /nfs/dbraw/zinc/60/82/42/1112608242.db2.gz BAEDKXUFIPJGMB-MRXNPFEDSA-N 2 0 326.444 2.741 20 30 EFEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717854 1112934722 /nfs/dbraw/zinc/93/47/22/1112934722.db2.gz GOMUDYXHYSDEDO-LJQANCHMSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722643 1112950400 /nfs/dbraw/zinc/95/04/00/1112950400.db2.gz BVUITVMLTHADQZ-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001089727106 1112965891 /nfs/dbraw/zinc/96/58/91/1112965891.db2.gz YQJZFTLINLSECN-MRXNPFEDSA-N 2 0 344.503 2.944 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001484569024 1113027582 /nfs/dbraw/zinc/02/75/82/1113027582.db2.gz PNIQPBYUZKAUFK-ULQDDVLXSA-N 2 0 341.927 2.878 20 30 EFEDRP 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 ZINC001089806634 1113060853 /nfs/dbraw/zinc/06/08/53/1113060853.db2.gz RIPNZEHWZDPTAV-VJANTYMQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001484830220 1117748163 /nfs/dbraw/zinc/74/81/63/1117748163.db2.gz NXYXWXZUTYISNF-ICSRJNTNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089821640 1117923953 /nfs/dbraw/zinc/92/39/53/1117923953.db2.gz WPGCTPSSEBXFFG-RNQOJCNYSA-N 2 0 345.531 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089845166 1118241510 /nfs/dbraw/zinc/24/15/10/1118241510.db2.gz DCBUILSMDYTHBU-RDGPPVDQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001272700003 1118417089 /nfs/dbraw/zinc/41/70/89/1118417089.db2.gz RRFHPASYVYXOEU-IBGZPJMESA-N 2 0 330.476 2.591 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(C[C@H]2C(=O)NCc2cncn2C)CC1 ZINC001272700304 1118455874 /nfs/dbraw/zinc/45/58/74/1118455874.db2.gz VAFMMBPOWNDETL-SFHVURJKSA-N 2 0 344.503 2.885 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517690 1118917845 /nfs/dbraw/zinc/91/78/45/1118917845.db2.gz DTYLWGWZVAUKOM-CRAIPNDOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517693 1118918081 /nfs/dbraw/zinc/91/80/81/1118918081.db2.gz DTYLWGWZVAUKOM-YJBOKZPZSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875567 1119766176 /nfs/dbraw/zinc/76/61/76/1119766176.db2.gz DTGHDUHETSWDRC-APWZRJJASA-N 2 0 338.455 2.889 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107028858 1119818010 /nfs/dbraw/zinc/81/80/10/1119818010.db2.gz GNDBZNOQWJFHBK-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944046702 1119893093 /nfs/dbraw/zinc/89/30/93/1119893093.db2.gz KKMHFUBLFCANAF-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037645 1120034611 /nfs/dbraw/zinc/03/46/11/1120034611.db2.gz ZPMAESVFCUPRMV-DJIMGWMZSA-N 2 0 341.927 2.543 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945031158 1120522442 /nfs/dbraw/zinc/52/24/42/1120522442.db2.gz ZFTZAFGILOEEAM-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945091560 1120567909 /nfs/dbraw/zinc/56/79/09/1120567909.db2.gz OKSKPUXTEYQHTH-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180112 1120649227 /nfs/dbraw/zinc/64/92/27/1120649227.db2.gz KOIGVJIHCICAFQ-PKOBYXMFSA-N 2 0 347.547 2.594 20 30 EFEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)([NH+](C)C)C1 ZINC000083033112 1120750700 /nfs/dbraw/zinc/75/07/00/1120750700.db2.gz XFYVDJXCAGAPNI-WRWLIDTKSA-N 2 0 344.503 2.925 20 30 EFEDRP C[NH+]1CCC(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181698744 530049136 /nfs/dbraw/zinc/04/91/36/530049136.db2.gz ZFYQKUPDSWADKA-UHFFFAOYSA-N 2 0 340.515 2.844 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000262438362 240354514 /nfs/dbraw/zinc/35/45/14/240354514.db2.gz MMRJMRGWYJUZQF-PKOBYXMFSA-N 2 0 328.504 2.655 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262462036 240354661 /nfs/dbraw/zinc/35/46/61/240354661.db2.gz XSNKKMXKZNYPOT-QXAKKESOSA-N 2 0 332.536 2.948 20 30 EFEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1OC(F)(F)F ZINC000160671653 239053417 /nfs/dbraw/zinc/05/34/17/239053417.db2.gz FUUIHXIHZNZJSW-LLVKDONJSA-N 2 0 342.365 2.796 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000192705967 240059594 /nfs/dbraw/zinc/05/95/94/240059594.db2.gz XOWJEFJPZJQWGB-VQTJNVASSA-N 2 0 326.488 2.606 20 30 EFEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277297 240093203 /nfs/dbraw/zinc/09/32/03/240093203.db2.gz DAAGJEBNWNBPPJ-NSISKUIASA-N 2 0 327.472 2.815 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248058942 240286245 /nfs/dbraw/zinc/28/62/45/240286245.db2.gz XWNXHYRKYBHQGZ-VAMGGRTRSA-N 2 0 344.499 2.571 20 30 EFEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261951121 240332800 /nfs/dbraw/zinc/33/28/00/240332800.db2.gz HLHCKOGVEUQUDN-GXTWGEPZSA-N 2 0 349.548 2.588 20 30 EFEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262010027 240339957 /nfs/dbraw/zinc/33/99/57/240339957.db2.gz JHOLTSNGZZUADY-XJKSGUPXSA-N 2 0 338.858 2.952 20 30 EFEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059681 240341942 /nfs/dbraw/zinc/34/19/42/240341942.db2.gz YNOKTRNWBULMCL-BBRMVZONSA-N 2 0 340.874 2.951 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000262018511 240342431 /nfs/dbraw/zinc/34/24/31/240342431.db2.gz WWFQOFWDPDGHRU-CABCVRRESA-N 2 0 346.475 2.695 20 30 EFEDRP CSC1(CNC(=[NH2+])Nc2cc(F)ccc2F)CC[NH+](C)CC1 ZINC000262291612 240347217 /nfs/dbraw/zinc/34/72/17/240347217.db2.gz LILVQBYHJJIJMC-UHFFFAOYSA-N 2 0 328.432 2.519 20 30 EFEDRP CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC000262312009 240347437 /nfs/dbraw/zinc/34/74/37/240347437.db2.gz AQCHFNWGHCWORJ-UHFFFAOYSA-N 2 0 346.475 2.697 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262374516 240348497 /nfs/dbraw/zinc/34/84/97/240348497.db2.gz JFXJLKRXSVXRAW-DZJYIKFMSA-N 2 0 340.515 2.798 20 30 EFEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000263119189 240379439 /nfs/dbraw/zinc/37/94/39/240379439.db2.gz CSDZQUILUVACOF-UHFFFAOYSA-N 2 0 328.338 2.574 20 30 EFEDRP CC(C)[C@@]1(C)C[C@@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263137058 240379609 /nfs/dbraw/zinc/37/96/09/240379609.db2.gz NTSCWPLKRBCWMQ-AZUAARDMSA-N 2 0 328.504 2.990 20 30 EFEDRP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264063815 240397350 /nfs/dbraw/zinc/39/73/50/240397350.db2.gz AIYTUYXENYMULG-LJQANCHMSA-N 2 0 328.504 2.598 20 30 EFEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264065678 240399748 /nfs/dbraw/zinc/39/97/48/240399748.db2.gz BCPDGAMSXZYHTH-LLVKDONJSA-N 2 0 330.354 2.654 20 30 EFEDRP [NH2+]=C(NCCC[NH+]1CCCC1)NCc1cccc(C(F)(F)F)c1 ZINC000266965092 240490205 /nfs/dbraw/zinc/49/02/05/240490205.db2.gz AVKVUEOCIQGRDW-UHFFFAOYSA-N 2 0 328.382 2.596 20 30 EFEDRP C=CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000359211769 242146952 /nfs/dbraw/zinc/14/69/52/242146952.db2.gz MJNFPGLRPOGPLO-INIZCTEOSA-N 2 0 340.475 2.601 20 30 EFEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361227663 242220239 /nfs/dbraw/zinc/22/02/39/242220239.db2.gz HCRYOXUFHNHZRY-ICSRJNTNSA-N 2 0 337.552 2.754 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361763703 242232523 /nfs/dbraw/zinc/23/25/23/242232523.db2.gz JFIFPOSFNORDEE-WMZOPIPTSA-N 2 0 336.524 2.541 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000363785344 242281806 /nfs/dbraw/zinc/28/18/06/242281806.db2.gz OVUDKUNMKSEZJX-IEBWSBKVSA-N 2 0 341.499 2.518 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000264358842 246397789 /nfs/dbraw/zinc/39/77/89/246397789.db2.gz DEZVHTLHZLWAMS-IBGZPJMESA-N 2 0 344.503 2.547 20 30 EFEDRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000442727060 250107588 /nfs/dbraw/zinc/10/75/88/250107588.db2.gz VJDUPBVAKLZZRK-DFQSSKMNSA-N 2 0 326.488 2.647 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063505 250156032 /nfs/dbraw/zinc/15/60/32/250156032.db2.gz WSNNATQTDAZIGE-CVEARBPZSA-N 2 0 335.517 2.712 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454465577 252271861 /nfs/dbraw/zinc/27/18/61/252271861.db2.gz PFKDJTIJYOGVNJ-UHFFFAOYSA-N 2 0 336.524 2.592 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1 ZINC000181516000 533463449 /nfs/dbraw/zinc/46/34/49/533463449.db2.gz YXYZCERJQZBIIH-MRXNPFEDSA-N 2 0 335.455 2.556 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C#N)cc1 ZINC000173928396 533463600 /nfs/dbraw/zinc/46/36/00/533463600.db2.gz KBBLKRHXCYZEEC-MRXNPFEDSA-N 2 0 335.455 2.556 20 30 EFEDRP COc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000174315864 533660968 /nfs/dbraw/zinc/66/09/68/533660968.db2.gz NAHQUOVUCYVTNK-IYBDPMFKSA-N 2 0 331.460 2.546 20 30 EFEDRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000344034586 145352120 /nfs/dbraw/zinc/35/21/20/145352120.db2.gz OMPRGHGJYGVPDM-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP COC1CC[NH+](C2(CNC(=[NH2+])N3CCCCCC3)CCCC2)CC1 ZINC000262438137 292169524 /nfs/dbraw/zinc/16/95/24/292169524.db2.gz CMMAFSSAHOEXTO-UHFFFAOYSA-N 2 0 336.524 2.601 20 30 EFEDRP N#Cc1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000122634939 222127498 /nfs/dbraw/zinc/12/74/98/222127498.db2.gz LHYDXWQNURRBDJ-UHFFFAOYSA-N 2 0 326.488 2.552 20 30 EFEDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000123581351 222300455 /nfs/dbraw/zinc/30/04/55/222300455.db2.gz FAQBDJNRGFBMPU-UHFFFAOYSA-N 2 0 342.487 2.941 20 30 EFEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000113323718 544568959 /nfs/dbraw/zinc/56/89/59/544568959.db2.gz UNSUSQLFPLPTDO-UHFFFAOYSA-N 2 0 338.451 2.929 20 30 EFEDRP N#Cc1cccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423108097 270028151 /nfs/dbraw/zinc/02/81/51/270028151.db2.gz SRQAVHAPJKBYBV-FPOVZHCZSA-N 2 0 333.435 2.946 20 30 EFEDRP COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000271791861 266061912 /nfs/dbraw/zinc/06/19/12/266061912.db2.gz JFTDLRHZZDVCNN-HNNXBMFYSA-N 2 0 329.444 2.626 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271895369 267180010 /nfs/dbraw/zinc/18/00/10/267180010.db2.gz SZTQQLUTAWQWNE-CWFSZBLJSA-N 2 0 327.472 2.977 20 30 EFEDRP CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000515165034 267194183 /nfs/dbraw/zinc/19/41/83/267194183.db2.gz MNCLNIYUHGBOID-HIEASXQVSA-N 2 0 328.460 2.763 20 30 EFEDRP Cc1c(Cl)cnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c1C#N ZINC000273294011 267295581 /nfs/dbraw/zinc/29/55/81/267295581.db2.gz GADHUMTWHVSYRW-UHFFFAOYSA-N 2 0 337.899 2.625 20 30 EFEDRP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C#N)cc1 ZINC000278168364 267358488 /nfs/dbraw/zinc/35/84/88/267358488.db2.gz CHIGLDRLNBAOEJ-FQEVSTJZSA-N 2 0 349.482 2.946 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000264125519 277244357 /nfs/dbraw/zinc/24/43/57/277244357.db2.gz SBTAKTWJZMNNFI-CVEARBPZSA-N 2 0 332.492 2.500 20 30 EFEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158905904 278184255 /nfs/dbraw/zinc/18/42/55/278184255.db2.gz GDPIBQVANRMVDI-MSOLQXFVSA-N 2 0 348.535 2.723 20 30 EFEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891531 290221365 /nfs/dbraw/zinc/22/13/65/290221365.db2.gz YPIQHAQZUNKZPZ-MBOZVWFJSA-N 2 0 326.488 2.577 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124390492 473240842 /nfs/dbraw/zinc/24/08/42/473240842.db2.gz QEKCKTJXHBVVGI-SFHVURJKSA-N 2 0 343.515 2.623 20 30 EFEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000190777981 473390981 /nfs/dbraw/zinc/39/09/81/473390981.db2.gz JRYNBGPLLLLOOG-UHFFFAOYSA-N 2 0 340.471 2.907 20 30 EFEDRP C#CCOc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453078 472036081 /nfs/dbraw/zinc/03/60/81/472036081.db2.gz KARVMBVDODEKTN-HDICACEKSA-N 2 0 330.472 2.678 20 30 EFEDRP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075644937 472175133 /nfs/dbraw/zinc/17/51/33/472175133.db2.gz MLTYQTKLCVUKEE-UHFFFAOYSA-N 2 0 339.443 2.772 20 30 EFEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000069711356 472405877 /nfs/dbraw/zinc/40/58/77/472405877.db2.gz VPVZFAIIOHFHSN-UHFFFAOYSA-N 2 0 338.451 2.929 20 30 EFEDRP C#CCOc1ccccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000069711536 472406002 /nfs/dbraw/zinc/40/60/02/472406002.db2.gz YMVQUBNXEBIALQ-UHFFFAOYSA-N 2 0 338.451 2.929 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC[C@H]1CCCC[NH+]1C ZINC000072759283 472711383 /nfs/dbraw/zinc/71/13/83/472711383.db2.gz PLATXBMRLQEUKA-GOSISDBHSA-N 2 0 328.460 2.693 20 30 EFEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157118438 472787428 /nfs/dbraw/zinc/78/74/28/472787428.db2.gz QCABQWNTROJFBC-LJQANCHMSA-N 2 0 340.471 2.837 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000106034144 472818688 /nfs/dbraw/zinc/81/86/88/472818688.db2.gz DGOKNSBSDXGXPW-HXUWFJFHSA-N 2 0 341.499 2.808 20 30 EFEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157464792 472824022 /nfs/dbraw/zinc/82/40/22/472824022.db2.gz SZBYSTRLNNLNNM-GOSISDBHSA-N 2 0 340.471 2.837 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000106275942 472837393 /nfs/dbraw/zinc/83/73/93/472837393.db2.gz MGFXFUXVLLVTGG-LJQANCHMSA-N 2 0 344.503 2.629 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000106275939 472837631 /nfs/dbraw/zinc/83/76/31/472837631.db2.gz MGFXFUXVLLVTGG-IBGZPJMESA-N 2 0 344.503 2.629 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000079304534 472846627 /nfs/dbraw/zinc/84/66/27/472846627.db2.gz KLHQEIWCXPLTTA-KSZLIROESA-N 2 0 343.515 2.945 20 30 EFEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762218 472869777 /nfs/dbraw/zinc/86/97/77/472869777.db2.gz POGDUBUEPNXADQ-OAHLLOKOSA-N 2 0 334.895 2.832 20 30 EFEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000121573636 472875190 /nfs/dbraw/zinc/87/51/90/472875190.db2.gz HKVBCJHKFDOGQK-GOSISDBHSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000074130181 472948180 /nfs/dbraw/zinc/94/81/80/472948180.db2.gz YYFARBCPUSLQMP-GOSISDBHSA-N 2 0 336.524 2.543 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160694254 473162290 /nfs/dbraw/zinc/16/22/90/473162290.db2.gz FPAVZRHVWARDNJ-IEBWSBKVSA-N 2 0 330.472 2.586 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000113403931 473392464 /nfs/dbraw/zinc/39/24/64/473392464.db2.gz MBQXDPMJQWMBAR-SFHVURJKSA-N 2 0 336.524 2.591 20 30 EFEDRP Cn1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cc1C#N ZINC000190948188 473437335 /nfs/dbraw/zinc/43/73/35/473437335.db2.gz UEXGBFUGSKVXSM-UHFFFAOYSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000171907849 473480695 /nfs/dbraw/zinc/48/06/95/473480695.db2.gz RFQMOFYMDGNUTE-UHFFFAOYSA-N 2 0 336.524 2.592 20 30 EFEDRP C[C@@H](NCC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688348 473488953 /nfs/dbraw/zinc/48/89/53/473488953.db2.gz BQUMPEVIPIQJOR-IAGOWNOFSA-N 2 0 346.519 2.572 20 30 EFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185775304 473510513 /nfs/dbraw/zinc/51/05/13/473510513.db2.gz XYHBEJKVFGQKDL-LEWJYISDSA-N 2 0 340.515 2.866 20 30 EFEDRP CCCCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000178567260 473532158 /nfs/dbraw/zinc/53/21/58/473532158.db2.gz MQGVPRGNJGGXOK-UHFFFAOYSA-N 2 0 346.519 2.628 20 30 EFEDRP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152415010 473558882 /nfs/dbraw/zinc/55/88/82/473558882.db2.gz UYYWZCNINDEBSK-AGYKMIKPSA-N 2 0 348.535 2.579 20 30 EFEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000127644520 473635651 /nfs/dbraw/zinc/63/56/51/473635651.db2.gz LLBKRFFNFZQKOB-LJQANCHMSA-N 2 0 340.515 2.700 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681245 473732010 /nfs/dbraw/zinc/73/20/10/473732010.db2.gz LRJLLXUQDPAKLZ-LPHOPBHVSA-N 2 0 344.503 2.627 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)CCCn1ccnc1)C(C)C ZINC000269307562 473768961 /nfs/dbraw/zinc/76/89/61/473768961.db2.gz ZPAZLFZGKMETJD-SFHVURJKSA-N 2 0 347.507 2.613 20 30 EFEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)o2)[C@@H](c2ccccc2)C1 ZINC000246262356 473808571 /nfs/dbraw/zinc/80/85/71/473808571.db2.gz UJDBIVQFIKRJMY-HXUWFJFHSA-N 2 0 338.455 2.620 20 30 EFEDRP C=CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000269673799 473856136 /nfs/dbraw/zinc/85/61/36/473856136.db2.gz GVOPXSWWAPBCSD-IBGZPJMESA-N 2 0 329.488 2.812 20 30 EFEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646269 473928095 /nfs/dbraw/zinc/92/80/95/473928095.db2.gz LGUMQFAESXWNHG-KKSFZXQISA-N 2 0 335.451 2.976 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCCC2)cc1OC ZINC000264133121 473951797 /nfs/dbraw/zinc/95/17/97/473951797.db2.gz UOCRFFIIYIQNGE-UHFFFAOYSA-N 2 0 334.464 2.697 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC000264132809 473952484 /nfs/dbraw/zinc/95/24/84/473952484.db2.gz YQPBMPAWEQHAET-MRXNPFEDSA-N 2 0 348.491 2.941 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000264421245 473985062 /nfs/dbraw/zinc/98/50/62/473985062.db2.gz WTLZMUPVCAUSHS-LJQANCHMSA-N 2 0 329.488 2.836 20 30 EFEDRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181591569 474050686 /nfs/dbraw/zinc/05/06/86/474050686.db2.gz PMTZNYXHNJGBER-INIZCTEOSA-N 2 0 335.455 2.556 20 30 EFEDRP C=CCC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181639399 474053808 /nfs/dbraw/zinc/05/38/08/474053808.db2.gz VFLLJRBDGDCZCO-AEFFLSMTSA-N 2 0 349.494 2.945 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000181720275 474058406 /nfs/dbraw/zinc/05/84/06/474058406.db2.gz QKTUSOQMSUTLRS-KRWDZBQOSA-N 2 0 336.524 2.591 20 30 EFEDRP CN(C)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000182074499 474094266 /nfs/dbraw/zinc/09/42/66/474094266.db2.gz YDWARTRUFWHLJB-UHFFFAOYSA-N 2 0 349.482 2.773 20 30 EFEDRP C#Cc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000289353878 474233248 /nfs/dbraw/zinc/23/32/48/474233248.db2.gz XUXPVERRFSKHIZ-UHFFFAOYSA-N 2 0 333.479 2.705 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443123 474325079 /nfs/dbraw/zinc/32/50/79/474325079.db2.gz LGUMQFAESXWNHG-IIBYNOLFSA-N 2 0 335.451 2.976 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000609133466 480116917 /nfs/dbraw/zinc/11/69/17/480116917.db2.gz KYAVSDXJEQQUPB-KRWDZBQOSA-N 2 0 348.535 2.770 20 30 EFEDRP CC[C@@H](C)NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267336305 474651985 /nfs/dbraw/zinc/65/19/85/474651985.db2.gz PHKWAPWBVRBRAA-QGZVFWFLSA-N 2 0 346.519 2.761 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000267449709 474670008 /nfs/dbraw/zinc/67/00/08/474670008.db2.gz RBEHEYWCAFEDRJ-INIZCTEOSA-N 2 0 332.492 2.502 20 30 EFEDRP COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCCCC#N ZINC000344678458 474779426 /nfs/dbraw/zinc/77/94/26/474779426.db2.gz LGAPALUFCZIJHU-DOTOQJQBSA-N 2 0 331.460 2.950 20 30 EFEDRP C[C@H]1C[NH+]=C(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)N1 ZINC000285205092 474928108 /nfs/dbraw/zinc/92/81/08/474928108.db2.gz WIXWZBVKYVLKIJ-KRWDZBQOSA-N 2 0 328.504 2.659 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000337428302 475006910 /nfs/dbraw/zinc/00/69/10/475006910.db2.gz CUUHAEBSWLQMAH-GUDVDZBRSA-N 2 0 348.535 2.611 20 30 EFEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281895 475058621 /nfs/dbraw/zinc/05/86/21/475058621.db2.gz VUNVYGVMSDWOCY-UYAOXDASSA-N 2 0 326.488 2.989 20 30 EFEDRP C=CCN1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280967238 475059998 /nfs/dbraw/zinc/05/99/98/475059998.db2.gz SSLXTUCBLBSDIV-UHFFFAOYSA-N 2 0 331.851 2.661 20 30 EFEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329601259 475094425 /nfs/dbraw/zinc/09/44/25/475094425.db2.gz XNOBURBZEPWFQV-QYZOEREBSA-N 2 0 349.519 2.585 20 30 EFEDRP COc1cc(CN(C)C[C@@H](C)C#N)cc(CN(C)C[C@H](C)C#N)c1 ZINC000292638178 475129493 /nfs/dbraw/zinc/12/94/93/475129493.db2.gz OECWKSLKOYBGFF-IYBDPMFKSA-N 2 0 328.460 2.878 20 30 EFEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1=O ZINC000281326639 475170997 /nfs/dbraw/zinc/17/09/97/475170997.db2.gz VLXKWRYSUAWSHC-YLJYHZDGSA-N 2 0 341.499 2.938 20 30 EFEDRP N#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000337646576 475209904 /nfs/dbraw/zinc/20/99/04/475209904.db2.gz IFZQGUBYQXDKNM-UHFFFAOYSA-N 2 0 339.418 2.717 20 30 EFEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC[NH+](C2CC2)CC1 ZINC000330217273 475212967 /nfs/dbraw/zinc/21/29/67/475212967.db2.gz IIXTYOAGKUYCNM-MOPGFXCFSA-N 2 0 349.519 2.585 20 30 EFEDRP CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330244211 475217761 /nfs/dbraw/zinc/21/77/61/475217761.db2.gz CZMMQHKJEYEWJF-IKGGRYGDSA-N 2 0 345.491 2.971 20 30 EFEDRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)nc2)CC1 ZINC000330316107 475226342 /nfs/dbraw/zinc/22/63/42/475226342.db2.gz ZEDLYELPLKYZSU-INIZCTEOSA-N 2 0 345.491 2.686 20 30 EFEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348281649 475558643 /nfs/dbraw/zinc/55/86/43/475558643.db2.gz LCCALOZKSUPPIU-YJBOKZPZSA-N 2 0 340.471 2.549 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000346546336 475646828 /nfs/dbraw/zinc/64/68/28/475646828.db2.gz GXUPXJZKPNQZHD-YLJYHZDGSA-N 2 0 329.488 2.979 20 30 EFEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1=O ZINC000352830361 475651228 /nfs/dbraw/zinc/65/12/28/475651228.db2.gz RVGQRKDSEFGJTE-HXUWFJFHSA-N 2 0 341.499 2.795 20 30 EFEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@@H]21 ZINC000361677482 475654750 /nfs/dbraw/zinc/65/47/50/475654750.db2.gz HGONOPZFVWLJCL-SJORKVTESA-N 2 0 337.427 2.524 20 30 EFEDRP C=CCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000338544709 475997812 /nfs/dbraw/zinc/99/78/12/475997812.db2.gz FUQRQBFZLPZFEZ-UHFFFAOYSA-N 2 0 329.488 2.523 20 30 EFEDRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000353526561 476047707 /nfs/dbraw/zinc/04/77/07/476047707.db2.gz BCBMLXBRIYURMC-UHFFFAOYSA-N 2 0 345.487 2.912 20 30 EFEDRP C=CCc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc(OC)c1O ZINC000353529140 476049794 /nfs/dbraw/zinc/04/97/94/476049794.db2.gz INFCBJGMNVLXBA-UHFFFAOYSA-N 2 0 348.487 2.672 20 30 EFEDRP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353953578 476334591 /nfs/dbraw/zinc/33/45/91/476334591.db2.gz GFGXPTXEIGCFSP-OAQYLSRUSA-N 2 0 340.515 2.987 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)C ZINC000354068996 476403554 /nfs/dbraw/zinc/40/35/54/476403554.db2.gz WCRRMWVMGPDWFS-LKXUXUIPSA-N 2 0 347.547 2.955 20 30 EFEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360829564 476413319 /nfs/dbraw/zinc/41/33/19/476413319.db2.gz BNXCXJMLRYWZKM-HXUWFJFHSA-N 2 0 326.488 2.553 20 30 EFEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360885529 476455241 /nfs/dbraw/zinc/45/52/41/476455241.db2.gz SONREULQNGMYEJ-LAUBAEHRSA-N 2 0 340.515 2.941 20 30 EFEDRP CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000354218183 476511964 /nfs/dbraw/zinc/51/19/64/476511964.db2.gz ABTKATLMSHMIBB-RDJZCZTQSA-N 2 0 331.460 2.750 20 30 EFEDRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000447548133 477009508 /nfs/dbraw/zinc/00/95/08/477009508.db2.gz GIWNDFIJMSWWLN-VQTJNVASSA-N 2 0 328.504 2.871 20 30 EFEDRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000447548134 477009718 /nfs/dbraw/zinc/00/97/18/477009718.db2.gz GIWNDFIJMSWWLN-WOJBJXKFSA-N 2 0 328.504 2.871 20 30 EFEDRP C=CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376344470 477292432 /nfs/dbraw/zinc/29/24/32/477292432.db2.gz RFDKCLQEHIVRFH-QGZVFWFLSA-N 2 0 336.524 2.591 20 30 EFEDRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2)CC1 ZINC000424131714 477303678 /nfs/dbraw/zinc/30/36/78/477303678.db2.gz JQNZWAFOSHYXBF-RBUKOAKNSA-N 2 0 342.487 2.597 20 30 EFEDRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150409 477310333 /nfs/dbraw/zinc/31/03/33/477310333.db2.gz YNOSXVSNKNYOPS-BHIYHBOVSA-N 2 0 342.487 2.519 20 30 EFEDRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150411 477310532 /nfs/dbraw/zinc/31/05/32/477310532.db2.gz YNOSXVSNKNYOPS-NZSAHSFTSA-N 2 0 342.487 2.519 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000424155177 477311557 /nfs/dbraw/zinc/31/15/57/477311557.db2.gz MIASAPREVYYENV-INIZCTEOSA-N 2 0 337.427 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000417535779 477456532 /nfs/dbraw/zinc/45/65/32/477456532.db2.gz JOQLCDYHDONSRD-IBGZPJMESA-N 2 0 344.503 2.589 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420328887 477698520 /nfs/dbraw/zinc/69/85/20/477698520.db2.gz NHIRRSAGIUTXMK-ZWKOTPCHSA-N 2 0 329.488 2.795 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368232240 477792549 /nfs/dbraw/zinc/79/25/49/477792549.db2.gz ABPDQSOIRFRYHZ-OJAHFUOMSA-N 2 0 341.499 2.567 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000421348981 478044842 /nfs/dbraw/zinc/04/48/42/478044842.db2.gz WUUKXVJWEHBOCZ-LJQANCHMSA-N 2 0 339.414 2.554 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000421348980 478045690 /nfs/dbraw/zinc/04/56/90/478045690.db2.gz WUUKXVJWEHBOCZ-IBGZPJMESA-N 2 0 339.414 2.554 20 30 EFEDRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1C#N ZINC000488142049 478121276 /nfs/dbraw/zinc/12/12/76/478121276.db2.gz CPRBZWPAYSHUBN-UHFFFAOYSA-N 2 0 340.515 2.857 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000517757725 478122768 /nfs/dbraw/zinc/12/27/68/478122768.db2.gz UHTWTJZTNBZPKK-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP Cc1cc(N2CCCC[C@H]2C)ccc1NC[C@H](O)CN(C)CCC#N ZINC000581603697 478398450 /nfs/dbraw/zinc/39/84/50/478398450.db2.gz NOBRJPGJOUYOID-MJGOQNOKSA-N 2 0 344.503 2.992 20 30 EFEDRP CC(C)[NH+]1CCN(C2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595403691 478762445 /nfs/dbraw/zinc/76/24/45/478762445.db2.gz IONCGKHUAVSJLC-UHFFFAOYSA-N 2 0 340.515 2.591 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1C)C(C)C ZINC000572873994 478942004 /nfs/dbraw/zinc/94/20/04/478942004.db2.gz ODZFPEAPMJGUKN-OALUTQOASA-N 2 0 329.488 2.810 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951390 478956112 /nfs/dbraw/zinc/95/61/12/478956112.db2.gz MBHCHGKIFGIFCC-LTDKPHRXSA-N 2 0 328.460 2.621 20 30 EFEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951389 478956472 /nfs/dbraw/zinc/95/64/72/478956472.db2.gz MBHCHGKIFGIFCC-KUQKPQIMSA-N 2 0 328.460 2.621 20 30 EFEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110702 479254698 /nfs/dbraw/zinc/25/46/98/479254698.db2.gz PFVDTQGSWHBPMR-IEBWSBKVSA-N 2 0 336.524 2.627 20 30 EFEDRP C[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316972 479291001 /nfs/dbraw/zinc/29/10/01/479291001.db2.gz DFASPPDICLCMOV-WMZOPIPTSA-N 2 0 326.488 2.500 20 30 EFEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392811 479365360 /nfs/dbraw/zinc/36/53/60/479365360.db2.gz NFTTYTKKCXCSOP-NQIIRXRSSA-N 2 0 338.499 2.694 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390958 479366081 /nfs/dbraw/zinc/36/60/81/479366081.db2.gz XMYHBPYEVTVVSM-OAQYLSRUSA-N 2 0 340.515 2.943 20 30 EFEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1 ZINC000602514027 479376532 /nfs/dbraw/zinc/37/65/32/479376532.db2.gz KJHRGACAMJVUNX-UHFFFAOYSA-N 2 0 338.455 2.964 20 30 EFEDRP N#Cc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000602546278 479391834 /nfs/dbraw/zinc/39/18/34/479391834.db2.gz JBVPZWIAZUHXEM-UHFFFAOYSA-N 2 0 336.439 2.718 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593701999 479428495 /nfs/dbraw/zinc/42/84/95/479428495.db2.gz JRKFSYKVZBFNSZ-LAUBAEHRSA-N 2 0 340.515 2.843 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000593702002 479429079 /nfs/dbraw/zinc/42/90/79/479429079.db2.gz JRKFSYKVZBFNSZ-UWJYYQICSA-N 2 0 340.515 2.843 20 30 EFEDRP C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1 ZINC000593721228 479434079 /nfs/dbraw/zinc/43/40/79/479434079.db2.gz KWFLEGVSJJVKRT-QGZVFWFLSA-N 2 0 340.515 2.843 20 30 EFEDRP Cc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1C#N ZINC000618192301 480561373 /nfs/dbraw/zinc/56/13/73/480561373.db2.gz BBGCOQYIOASHCG-QFIPXVFZSA-N 2 0 348.494 2.945 20 30 EFEDRP C=CC[C@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC000662739029 481954610 /nfs/dbraw/zinc/95/46/10/481954610.db2.gz BUIXVWVGXVLTRI-HXUWFJFHSA-N 2 0 340.471 2.840 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000417067443 517328388 /nfs/dbraw/zinc/32/83/88/517328388.db2.gz ROONLZPYFMFBDC-RCCFBDPRSA-N 2 0 336.524 2.596 20 30 EFEDRP C=CCc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782690 534413455 /nfs/dbraw/zinc/41/34/55/534413455.db2.gz ORAZMYFPEBHMFY-ROUUACIJSA-N 2 0 330.472 2.951 20 30 EFEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841827 522679390 /nfs/dbraw/zinc/67/93/90/522679390.db2.gz PTXGAUNTSUNMOG-AWEZNQCLSA-N 2 0 348.878 2.814 20 30 EFEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000120611015 524584878 /nfs/dbraw/zinc/58/48/78/524584878.db2.gz GAJQIMQBMLOPAU-GJZGRUSLSA-N 2 0 333.501 2.941 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000171726648 526435074 /nfs/dbraw/zinc/43/50/74/526435074.db2.gz XBMVMAYZPSLOJU-QGZVFWFLSA-N 2 0 348.491 2.612 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000171548120 526595489 /nfs/dbraw/zinc/59/54/89/526595489.db2.gz JSPKKDDZQCIDKJ-UHFFFAOYSA-N 2 0 330.476 2.910 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000187017259 528663589 /nfs/dbraw/zinc/66/35/89/528663589.db2.gz SNTXSLBAIVYNHA-YLJYHZDGSA-N 2 0 345.487 2.664 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@H](C)C1 ZINC000187010773 528667509 /nfs/dbraw/zinc/66/75/09/528667509.db2.gz QQIWTSMDVRGRAY-MJGOQNOKSA-N 2 0 345.487 2.664 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000181155535 528669437 /nfs/dbraw/zinc/66/94/37/528669437.db2.gz BEUPYTQVAVMCBO-XLIONFOSSA-N 2 0 345.487 2.664 20 30 EFEDRP CC[NH+]=C(NCC1CCSCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262796525 535261050 /nfs/dbraw/zinc/26/10/50/535261050.db2.gz PNOUSNZXYGUIRM-QGZVFWFLSA-N 2 0 338.565 2.513 20 30 EFEDRP CCO[C@@H]1C[C@H](NC(NC2CC[NH+](C3CC3)CC2)=[NH+]C)C12CCCC2 ZINC000262466449 535454513 /nfs/dbraw/zinc/45/45/13/535454513.db2.gz YINGMRYGUSXUTH-ZWKOTPCHSA-N 2 0 348.535 2.516 20 30 EFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071644 535525530 /nfs/dbraw/zinc/52/55/30/535525530.db2.gz KIEIFIUJBARHAT-FQEVSTJZSA-N 2 0 340.515 2.844 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000764423341 576457140 /nfs/dbraw/zinc/45/71/40/576457140.db2.gz IUGGTJDWQKONMC-IBGZPJMESA-N 2 0 329.488 2.694 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000764541718 576470415 /nfs/dbraw/zinc/47/04/15/576470415.db2.gz WBHBDJJWJFRHCQ-UHFFFAOYSA-N 2 0 344.503 2.521 20 30 EFEDRP C#CCCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769383175 577357420 /nfs/dbraw/zinc/35/74/20/577357420.db2.gz DPCOHILCIYAMQS-UHFFFAOYSA-N 2 0 330.472 2.631 20 30 EFEDRP C#CCOc1ccccc1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000769514949 577369109 /nfs/dbraw/zinc/36/91/09/577369109.db2.gz MLXBCFLQLBVXEG-LJQANCHMSA-N 2 0 330.472 2.631 20 30 EFEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769515491 577369143 /nfs/dbraw/zinc/36/91/43/577369143.db2.gz QYMKHGPUNJKCCZ-YLJYHZDGSA-N 2 0 345.487 2.910 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001754375364 1248955307 /nfs/dbraw/zinc/95/53/07/1248955307.db2.gz AAFQVTNVXONGLD-INIZCTEOSA-N 2 0 327.900 2.584 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001752707224 1250833601 /nfs/dbraw/zinc/83/36/01/1250833601.db2.gz MVHLMPHUSCNTDO-VQTJNVASSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001003939395 1265578891 /nfs/dbraw/zinc/57/88/91/1265578891.db2.gz QDRZQDMEHUIXMS-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001752829762 1251593968 /nfs/dbraw/zinc/59/39/68/1251593968.db2.gz VCAWYYBTQJLBAV-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089686149 1252174458 /nfs/dbraw/zinc/17/44/58/1252174458.db2.gz NALAGDSZAVXWDS-BZSNNMDCSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(C)C)CC1 ZINC001089733912 1252327642 /nfs/dbraw/zinc/32/76/42/1252327642.db2.gz CHECQQMFOPGBEX-LJQANCHMSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735342 1252338955 /nfs/dbraw/zinc/33/89/55/1252338955.db2.gz IGTBGJMRRYSLEF-LJQANCHMSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484344047 1252431930 /nfs/dbraw/zinc/43/19/30/1252431930.db2.gz LXXCCGRBDCVXMM-ZFWWWQNUSA-N 2 0 346.862 2.835 20 30 EFEDRP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098815334 1255396318 /nfs/dbraw/zinc/39/63/18/1255396318.db2.gz WHKKPYLTUOQFQX-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC000996676427 1255725754 /nfs/dbraw/zinc/72/57/54/1255725754.db2.gz NGSQGEYPMVZPIW-HOTGVXAUSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996680778 1255734121 /nfs/dbraw/zinc/73/41/21/1255734121.db2.gz VEHVJQQYGZRLTG-INIZCTEOSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439062 1255823279 /nfs/dbraw/zinc/82/32/79/1255823279.db2.gz PZSKPRNWWTVXCS-QWFCFKBJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)CC)CCC[C@@H]12 ZINC001107457573 1255874223 /nfs/dbraw/zinc/87/42/23/1255874223.db2.gz DFQYWDHHIUANKG-CRAIPNDOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609244 1256287462 /nfs/dbraw/zinc/28/74/62/1256287462.db2.gz KMVMFTLBUCDYKC-QWFCFKBJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643939 1256364000 /nfs/dbraw/zinc/36/40/00/1256364000.db2.gz ZUYANMHDPLUUNT-UYAOXDASSA-N 2 0 333.520 2.799 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000997120157 1256977838 /nfs/dbraw/zinc/97/78/38/1256977838.db2.gz MTOYRVUVZCVCLO-OAHLLOKOSA-N 2 0 347.528 2.663 20 30 EFEDRP N#Cc1ccc(Br)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000921527382 1257015448 /nfs/dbraw/zinc/01/54/48/1257015448.db2.gz LYOGUYCMDONJHJ-CYBMUJFWSA-N 2 0 334.261 2.895 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406093 1257125174 /nfs/dbraw/zinc/12/51/74/1257125174.db2.gz VUBKLJULYYJYGU-NEWSRXKRSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997163751 1257175075 /nfs/dbraw/zinc/17/50/75/1257175075.db2.gz QXZLAEUEOGJHHR-HXUWFJFHSA-N 2 0 329.488 2.620 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997170787 1257177052 /nfs/dbraw/zinc/17/70/52/1257177052.db2.gz PMIHYNHNWQBRIZ-IBGZPJMESA-N 2 0 349.906 2.797 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997190936 1257249973 /nfs/dbraw/zinc/24/99/73/1257249973.db2.gz OFSKLZIMQUJQSP-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997206698 1257275570 /nfs/dbraw/zinc/27/55/70/1257275570.db2.gz YQAJSNKAVIZPIU-OAHLLOKOSA-N 2 0 326.444 2.741 20 30 EFEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997278660 1257323553 /nfs/dbraw/zinc/32/35/53/1257323553.db2.gz IMFWKALNFASKDJ-YLJYHZDGSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997407804 1257582762 /nfs/dbraw/zinc/58/27/62/1257582762.db2.gz AICAWILYCIPVQQ-XLIONFOSSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910825 1257635078 /nfs/dbraw/zinc/63/50/78/1257635078.db2.gz VSMUDKOURSVONL-NMLBUPMWSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000997648182 1258165830 /nfs/dbraw/zinc/16/58/30/1258165830.db2.gz FRPGPPBFDLWYEH-AWEZNQCLSA-N 2 0 326.444 2.659 20 30 EFEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997724092 1258310700 /nfs/dbraw/zinc/31/07/00/1258310700.db2.gz IMFWKALNFASKDJ-PXNSSMCTSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997845529 1258521575 /nfs/dbraw/zinc/52/15/75/1258521575.db2.gz AICAWILYCIPVQQ-PXNSSMCTSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998108881 1259121204 /nfs/dbraw/zinc/12/12/04/1259121204.db2.gz HELFFWQVNSNXRD-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998162028 1259174996 /nfs/dbraw/zinc/17/49/96/1259174996.db2.gz AFNZYPIIVAOCTO-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143978 1259952301 /nfs/dbraw/zinc/95/23/01/1259952301.db2.gz NAQUHCLLOFNXFQ-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001112540071 1260404928 /nfs/dbraw/zinc/40/49/28/1260404928.db2.gz DQFNSABSBWBGGA-BJLQDIEVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000999406898 1260601320 /nfs/dbraw/zinc/60/13/20/1260601320.db2.gz BOWJPGFNYGYVPN-MQBCKMQZSA-N 2 0 345.890 2.530 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000999671564 1260815841 /nfs/dbraw/zinc/81/58/41/1260815841.db2.gz KAGWAEZBFDSAJB-JCYILVPMSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999794369 1260903308 /nfs/dbraw/zinc/90/33/08/1260903308.db2.gz UTWVSZUXJBSAGK-KRWDZBQOSA-N 2 0 349.906 2.737 20 30 EFEDRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C#N)C(C)C ZINC001168667853 1261395624 /nfs/dbraw/zinc/39/56/24/1261395624.db2.gz ZWACGCVCXNJHPI-IBGZPJMESA-N 2 0 344.503 2.521 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586485 1266416038 /nfs/dbraw/zinc/41/60/38/1266416038.db2.gz KJCNPNDASQGCGQ-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946904358 1261724152 /nfs/dbraw/zinc/72/41/52/1261724152.db2.gz DHRIOKGUVLHDGJ-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001006120946 1261812808 /nfs/dbraw/zinc/81/28/08/1261812808.db2.gz SRGWSXGIWFRPAT-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001230741 1261989819 /nfs/dbraw/zinc/98/98/19/1261989819.db2.gz WWJPUVPBCQLKSI-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001405806 1262182325 /nfs/dbraw/zinc/18/23/25/1262182325.db2.gz USFCTVWMKPGOOP-MOPGFXCFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078726915 1262231791 /nfs/dbraw/zinc/23/17/91/1262231791.db2.gz ZUVMQWBYWZNTQM-RBUKOAKNSA-N 2 0 341.499 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078786396 1262345859 /nfs/dbraw/zinc/34/58/59/1262345859.db2.gz VDTIOHXKMZOOEW-JKSUJKDBSA-N 2 0 348.878 2.531 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819413 1262362034 /nfs/dbraw/zinc/36/20/34/1262362034.db2.gz NAZFDFODXPQTNX-MOPGFXCFSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346729 1263844108 /nfs/dbraw/zinc/84/41/08/1263844108.db2.gz YSRKFNKEXYKAKE-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700806 1264243013 /nfs/dbraw/zinc/24/30/13/1264243013.db2.gz BBJGEHHAWWFDNZ-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001084953501 1264755771 /nfs/dbraw/zinc/75/57/71/1264755771.db2.gz QKIFWEHZBHEQRJ-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958196 1264763652 /nfs/dbraw/zinc/76/36/52/1264763652.db2.gz PXPBMEJMLXUZLK-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978202 1264805363 /nfs/dbraw/zinc/80/53/63/1264805363.db2.gz BSTWLYBCQNBOMS-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)CN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737151 1265113797 /nfs/dbraw/zinc/11/37/97/1265113797.db2.gz HYPQSFKGDFXCHI-INIZCTEOSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101422 1265144613 /nfs/dbraw/zinc/14/46/13/1265144613.db2.gz JPESGIGNLRWORY-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101546 1265144742 /nfs/dbraw/zinc/14/47/42/1265144742.db2.gz QACSECSCILJFFH-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586830 1266433384 /nfs/dbraw/zinc/43/33/84/1266433384.db2.gz YYRKTWMXPPZAIE-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033080888 1266446674 /nfs/dbraw/zinc/44/66/74/1266446674.db2.gz DYHWMYAWVJFVKG-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591118 1266531431 /nfs/dbraw/zinc/53/14/31/1266531431.db2.gz OHAMGGQQSBVBPV-WCIQWLHISA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039072 1266544486 /nfs/dbraw/zinc/54/44/86/1266544486.db2.gz MPFBFSVACOWCAD-GOSISDBHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001171069348 1278294642 /nfs/dbraw/zinc/29/46/42/1278294642.db2.gz QFECVOBKTADJCO-IAGOWNOFSA-N 2 0 329.504 2.897 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004438973 1266999808 /nfs/dbraw/zinc/99/98/08/1266999808.db2.gz XTWGSJQBVQHFNC-MOPGFXCFSA-N 2 0 333.520 2.748 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004447494 1267028670 /nfs/dbraw/zinc/02/86/70/1267028670.db2.gz SPQMHLBBFJTERW-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004455920 1267084001 /nfs/dbraw/zinc/08/40/01/1267084001.db2.gz BXYBKLMEOUQHNK-VQTJNVASSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCC)CC1 ZINC001004456828 1267084707 /nfs/dbraw/zinc/08/47/07/1267084707.db2.gz ILJQMDQWTHQEEA-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004457673 1267088497 /nfs/dbraw/zinc/08/84/97/1267088497.db2.gz JSNMIBBZWUOZIB-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457973 1267092962 /nfs/dbraw/zinc/09/29/62/1267092962.db2.gz MULUAOZGCMTARM-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004474481 1267121447 /nfs/dbraw/zinc/12/14/47/1267121447.db2.gz OVNDRFJWKXDXTK-SJORKVTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004474880 1267122808 /nfs/dbraw/zinc/12/28/08/1267122808.db2.gz FRPCIVZZMTWWRY-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001004489651 1267143911 /nfs/dbraw/zinc/14/39/11/1267143911.db2.gz MYSHWXLFKHSWSC-LJQANCHMSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004565988 1267299254 /nfs/dbraw/zinc/29/92/54/1267299254.db2.gz BFTQLAVURMGWER-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004567025 1267301696 /nfs/dbraw/zinc/30/16/96/1267301696.db2.gz GOUXLXBELCNZNE-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631415 1267337754 /nfs/dbraw/zinc/33/77/54/1267337754.db2.gz GHGDHUWTMVVJJC-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631616 1267344013 /nfs/dbraw/zinc/34/40/13/1267344013.db2.gz QNRNJTQSOYMIDE-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC001085396359 1267375516 /nfs/dbraw/zinc/37/55/16/1267375516.db2.gz IPXNLFSXLFEKNB-HUUCEWRRSA-N 2 0 336.867 2.531 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004599468 1267376036 /nfs/dbraw/zinc/37/60/36/1267376036.db2.gz HNAOAGIKKPJUPU-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004609022 1267394471 /nfs/dbraw/zinc/39/44/71/1267394471.db2.gz DDTRJTIDEYTAMG-LJQANCHMSA-N 2 0 344.503 2.632 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001085432323 1267457992 /nfs/dbraw/zinc/45/79/92/1267457992.db2.gz SPWQJPPFESSUBR-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033161311 1267591547 /nfs/dbraw/zinc/59/15/47/1267591547.db2.gz LQULVDQPBVMDNL-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033161314 1267591875 /nfs/dbraw/zinc/59/18/75/1267591875.db2.gz LQULVDQPBVMDNL-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273101407 1267677863 /nfs/dbraw/zinc/67/78/63/1267677863.db2.gz UJLCTZYIPBPEHX-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639970 1268097383 /nfs/dbraw/zinc/09/73/83/1268097383.db2.gz ZOLKHCRUOMBRFC-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742288 1268391897 /nfs/dbraw/zinc/39/18/97/1268391897.db2.gz NEWFGIVZUHTCQO-LJQANCHMSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819894 1268655424 /nfs/dbraw/zinc/65/54/24/1268655424.db2.gz LAJQLMCBWSWMNP-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819936 1268655810 /nfs/dbraw/zinc/65/58/10/1268655810.db2.gz MBAWSKKCRTYRDE-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819937 1268656090 /nfs/dbraw/zinc/65/60/90/1268656090.db2.gz MBAWSKKCRTYRDE-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808302 1268775486 /nfs/dbraw/zinc/77/54/86/1268775486.db2.gz NKNDZVFAGAPFNO-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946808301 1268775884 /nfs/dbraw/zinc/77/58/84/1268775884.db2.gz NKNDZVFAGAPFNO-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC[C@@H]2C1 ZINC000946809032 1268790217 /nfs/dbraw/zinc/79/02/17/1268790217.db2.gz WTONITDZBBDXFO-SLFFLAALSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366404 1268948847 /nfs/dbraw/zinc/94/88/47/1268948847.db2.gz WZCUKLNCWLXDFY-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366667 1268950084 /nfs/dbraw/zinc/95/00/84/1268950084.db2.gz YACBTTNCXZWWJR-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680394 1278496113 /nfs/dbraw/zinc/49/61/13/1278496113.db2.gz HGGJURPLBOWNAB-QGZVFWFLSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001113680393 1278496209 /nfs/dbraw/zinc/49/62/09/1278496209.db2.gz HGGJURPLBOWNAB-KRWDZBQOSA-N 2 0 329.488 2.861 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832405 1270295061 /nfs/dbraw/zinc/29/50/61/1270295061.db2.gz FGHUFYMMULJUAC-QUCCMNQESA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835643 1270308368 /nfs/dbraw/zinc/30/83/68/1270308368.db2.gz KHIQXSKNCRGTSY-AZUAARDMSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395928 1270336604 /nfs/dbraw/zinc/33/66/04/1270336604.db2.gz LBWXMLHTMHNQEP-SFHVURJKSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856777 1270401925 /nfs/dbraw/zinc/40/19/25/1270401925.db2.gz WGAAJEAUUYDWFI-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033954205 1270685479 /nfs/dbraw/zinc/68/54/79/1270685479.db2.gz QPNYQAFTKMWTFG-FQEVSTJZSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034047087 1270958102 /nfs/dbraw/zinc/95/81/02/1270958102.db2.gz YMHXVSHCWLHFOR-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050081 1270965641 /nfs/dbraw/zinc/96/56/41/1270965641.db2.gz FKGJDCCOPPMKAJ-MRXNPFEDSA-N 2 0 333.476 2.844 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086367060 1271162770 /nfs/dbraw/zinc/16/27/70/1271162770.db2.gz WLAJCEOCLHHNRQ-BZSNNMDCSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034250435 1271426780 /nfs/dbraw/zinc/42/67/80/1271426780.db2.gz QHCVPMRUPHQETK-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034261339 1271472687 /nfs/dbraw/zinc/47/26/87/1271472687.db2.gz WMPSBHOLZULSRZ-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331610 1271676057 /nfs/dbraw/zinc/67/60/57/1271676057.db2.gz UGJBUGYCDHORTK-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331617 1271676431 /nfs/dbraw/zinc/67/64/31/1271676431.db2.gz UGJBUGYCDHORTK-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034366140 1271787761 /nfs/dbraw/zinc/78/77/61/1271787761.db2.gz XEOCVVIFIFWHLX-MSOLQXFVSA-N 2 0 344.503 2.691 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544210 1272258912 /nfs/dbraw/zinc/25/89/12/1272258912.db2.gz GRTVZAASOUVPDR-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005580468 1272492087 /nfs/dbraw/zinc/49/20/87/1272492087.db2.gz GPMVQOCNLDHSDA-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001034685039 1272592663 /nfs/dbraw/zinc/59/26/63/1272592663.db2.gz UEPWJGBFLSOGHW-ULQDDVLXSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001034690576 1272624672 /nfs/dbraw/zinc/62/46/72/1272624672.db2.gz VZRPKDAIKNAFTL-SHTZXODSSA-N 2 0 332.835 2.717 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169133887 1272695754 /nfs/dbraw/zinc/69/57/54/1272695754.db2.gz MLYALJTXBLKTDA-USYVTKNRSA-N 2 0 334.504 2.685 20 30 EFEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3C#N)CC1)C2 ZINC001169111939 1272702894 /nfs/dbraw/zinc/70/28/94/1272702894.db2.gz RDTJYZHASKAWEJ-MZADTFQBSA-N 2 0 338.499 2.737 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001034776893 1272929480 /nfs/dbraw/zinc/92/94/80/1272929480.db2.gz KVWOYKZBTDXMNG-QBPKDAKJSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001034801848 1273000399 /nfs/dbraw/zinc/00/03/99/1273000399.db2.gz ZAWPFQVGPCXTAS-WKILWMFISA-N 2 0 333.476 2.938 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720388 1273422392 /nfs/dbraw/zinc/42/23/92/1273422392.db2.gz MNIRHPVURZOKCZ-JQHSSLGASA-N 2 0 338.455 2.883 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749497 1273445987 /nfs/dbraw/zinc/44/59/87/1273445987.db2.gz CFXYSXIWFDOWHK-UAGQMJEPSA-N 2 0 331.460 2.500 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764566 1273467458 /nfs/dbraw/zinc/46/74/58/1273467458.db2.gz PKVYZHZGFSXGBG-BZSNNMDCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001108796326 1273489208 /nfs/dbraw/zinc/48/92/08/1273489208.db2.gz JTSOXQHHCXYTRM-IHPCNDPISA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005771684 1273546510 /nfs/dbraw/zinc/54/65/10/1273546510.db2.gz BVBLBHYHUIEKFS-UHFFFAOYSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035183938 1273748587 /nfs/dbraw/zinc/74/85/87/1273748587.db2.gz APDZEPBGLHMPEU-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[NH+]3C1)CC2 ZINC001035184375 1273750374 /nfs/dbraw/zinc/75/03/74/1273750374.db2.gz JHIMFVXDCLZJRX-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035196228 1273758060 /nfs/dbraw/zinc/75/80/60/1273758060.db2.gz YIZACJSCAWCQIC-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)CC2 ZINC001035197132 1273759527 /nfs/dbraw/zinc/75/95/27/1273759527.db2.gz ISVLIWBBSSBXFJ-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202010 1273773436 /nfs/dbraw/zinc/77/34/36/1273773436.db2.gz PWWLHMMMXYEQNO-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204767 1273782102 /nfs/dbraw/zinc/78/21/02/1273782102.db2.gz BOPSUBKEONCOQA-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035188588 1273797384 /nfs/dbraw/zinc/79/73/84/1273797384.db2.gz GGDWPBZHSQUSFL-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035191689 1273808321 /nfs/dbraw/zinc/80/83/21/1273808321.db2.gz BHGJMLDBSWDSCE-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035226658 1273846471 /nfs/dbraw/zinc/84/64/71/1273846471.db2.gz JGORRBJAPAHKFF-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213184 1273869173 /nfs/dbraw/zinc/86/91/73/1273869173.db2.gz RIGMUIVAWBDBSS-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035216201 1273876918 /nfs/dbraw/zinc/87/69/18/1273876918.db2.gz VNRJVYFOGGKXMQ-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236775 1273897399 /nfs/dbraw/zinc/89/73/99/1273897399.db2.gz CUBAFOZWDDWPBI-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035248069 1273925073 /nfs/dbraw/zinc/92/50/73/1273925073.db2.gz WWZYNURJVKFPFJ-UHFFFAOYSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109474515 1274315160 /nfs/dbraw/zinc/31/51/60/1274315160.db2.gz YDSDBFOLOXQOCB-XWSJACJDSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469735 1274320452 /nfs/dbraw/zinc/32/04/52/1274320452.db2.gz IHMUBXMSMZTQAN-QYZOEREBSA-N 2 0 342.487 2.596 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035705184 1274382370 /nfs/dbraw/zinc/38/23/70/1274382370.db2.gz XPHADTVLFLTGRG-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035716342 1274399917 /nfs/dbraw/zinc/39/99/17/1274399917.db2.gz FVTGKZQCJZVSFQ-UHFFFAOYSA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035720127 1274406744 /nfs/dbraw/zinc/40/67/44/1274406744.db2.gz KLNABCANJJRHMH-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035720923 1274407333 /nfs/dbraw/zinc/40/73/33/1274407333.db2.gz OTYVJBYFQOVMAR-GOSISDBHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035733009 1274423834 /nfs/dbraw/zinc/42/38/34/1274423834.db2.gz KXTJZNYNCDXXRZ-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565366 1274430636 /nfs/dbraw/zinc/43/06/36/1274430636.db2.gz MIVXRNQABWGDNV-SQNIBIBYSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035756104 1274441002 /nfs/dbraw/zinc/44/10/02/1274441002.db2.gz XNWDCWMJLHGOIM-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773053 1274497779 /nfs/dbraw/zinc/49/77/79/1274497779.db2.gz PKKXDKUNMDAUOI-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035809851 1274539737 /nfs/dbraw/zinc/53/97/37/1274539737.db2.gz CDRNBFOFXVHAPL-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837024 1274574089 /nfs/dbraw/zinc/57/40/89/1274574089.db2.gz FDXVTZASLWDZGN-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109957639 1274906068 /nfs/dbraw/zinc/90/60/68/1274906068.db2.gz NGETXWZECABEBC-AABGKKOBSA-N 2 0 345.531 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001036113274 1275065245 /nfs/dbraw/zinc/06/52/45/1275065245.db2.gz PSTDFKREGCDVBD-MLGOLLRUSA-N 2 0 332.835 2.527 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001112545777 1275107858 /nfs/dbraw/zinc/10/78/58/1275107858.db2.gz CWKRAXYGYZKLFN-FPOVZHCZSA-N 2 0 341.499 2.766 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001112561441 1275175676 /nfs/dbraw/zinc/17/56/76/1275175676.db2.gz YYOPCVSAFBKUKH-FPOVZHCZSA-N 2 0 345.531 2.513 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001036216756 1275284033 /nfs/dbraw/zinc/28/40/33/1275284033.db2.gz DYUAPZQYCYGEBO-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585301 1275321440 /nfs/dbraw/zinc/32/14/40/1275321440.db2.gz OZCHIQMCCIJINY-ICSRJNTNSA-N 2 0 333.520 2.657 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001112585191 1275321562 /nfs/dbraw/zinc/32/15/62/1275321562.db2.gz GIAUHFBWRYMGKE-ICSRJNTNSA-N 2 0 333.520 2.657 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001036302572 1275383745 /nfs/dbraw/zinc/38/37/45/1275383745.db2.gz JKUGAIVFFDVXKJ-RDTXWAMCSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001036302570 1275384558 /nfs/dbraw/zinc/38/45/58/1275384558.db2.gz JKUGAIVFFDVXKJ-KSSFIOAISA-N 2 0 349.906 2.941 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135974070 1276271430 /nfs/dbraw/zinc/27/14/30/1276271430.db2.gz HYRDLBWENSVQKN-SJORKVTESA-N 2 0 344.503 2.663 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]Cc3ccc(CC[NH3+])cc3)CC2)cc1 ZINC000817948659 1276392356 /nfs/dbraw/zinc/39/23/56/1276392356.db2.gz JMDKUSMLTZXSRV-UHFFFAOYSA-N 2 0 334.467 2.818 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016469 1276590492 /nfs/dbraw/zinc/59/04/92/1276590492.db2.gz ZQZOHYQIBHGWND-IFMALSPDSA-N 2 0 349.478 2.746 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000819142005 1276626435 /nfs/dbraw/zinc/62/64/35/1276626435.db2.gz LOSUYJIOZNJYFZ-MHJFOBGBSA-N 2 0 327.472 2.978 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810274 1287236582 /nfs/dbraw/zinc/23/65/82/1287236582.db2.gz XAVWMJJTVIGZLC-CHWSQXEVSA-N 2 0 334.851 2.882 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]2C1 ZINC000946861572 1276829563 /nfs/dbraw/zinc/82/95/63/1276829563.db2.gz UYUGCKDUOGASBC-CALCHBBNSA-N 2 0 342.487 2.508 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155552 1277108379 /nfs/dbraw/zinc/10/83/79/1277108379.db2.gz SVKRTHWLOPRYOG-SFHVURJKSA-N 2 0 335.536 2.997 20 30 EFEDRP C[N@H+](CCN1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396062 1279070614 /nfs/dbraw/zinc/07/06/14/1279070614.db2.gz UKTQIAIKGIMFQW-UHFFFAOYSA-N 2 0 340.515 2.570 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001144160382 1279184735 /nfs/dbraw/zinc/18/47/35/1279184735.db2.gz IMQJJMOAOATTRX-UHFFFAOYSA-N 2 0 347.466 2.836 20 30 EFEDRP C#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001144569194 1279851496 /nfs/dbraw/zinc/85/14/96/1279851496.db2.gz MQEVYUYIPPCYNW-UHFFFAOYSA-N 2 0 334.467 2.519 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000794146856 1280046017 /nfs/dbraw/zinc/04/60/17/1280046017.db2.gz HSTCVQFVIOLYNX-IBGZPJMESA-N 2 0 329.488 2.523 20 30 EFEDRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001175317556 1287400427 /nfs/dbraw/zinc/40/04/27/1287400427.db2.gz PNADWIWKQZOTBQ-LPHOPBHVSA-N 2 0 344.503 2.663 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001171224728 1280150423 /nfs/dbraw/zinc/15/04/23/1280150423.db2.gz UWAPKBKJIGJCCX-GOSISDBHSA-N 2 0 330.520 2.695 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001171224732 1280150438 /nfs/dbraw/zinc/15/04/38/1280150438.db2.gz UWAPKBKJIGJCCX-SFHVURJKSA-N 2 0 330.520 2.695 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236042 1280292281 /nfs/dbraw/zinc/29/22/81/1280292281.db2.gz KMDZLXXSALCDHA-DLBZAZTESA-N 2 0 343.943 2.981 20 30 EFEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959693 1287420900 /nfs/dbraw/zinc/42/09/00/1287420900.db2.gz RABROEPLHYGHHB-JKSUJKDBSA-N 2 0 341.459 2.720 20 30 EFEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959692 1287421313 /nfs/dbraw/zinc/42/13/13/1287421313.db2.gz RABROEPLHYGHHB-HZPDHXFCSA-N 2 0 341.459 2.720 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/CC)CC1 ZINC001146610197 1280950724 /nfs/dbraw/zinc/95/07/24/1280950724.db2.gz IPBUDOKPGKJICT-HNGSOEQISA-N 2 0 333.520 2.561 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608699 1280950961 /nfs/dbraw/zinc/95/09/61/1280950961.db2.gz ASCHSNMHQOSFMI-SJORKVTESA-N 2 0 347.547 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613629 1280952200 /nfs/dbraw/zinc/95/22/00/1280952200.db2.gz ULZKVJKLFJUTST-IAGOWNOFSA-N 2 0 335.536 2.641 20 30 EFEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146700842 1280980935 /nfs/dbraw/zinc/98/09/35/1280980935.db2.gz IGCWVFTXAWNRJZ-JKSUJKDBSA-N 2 0 333.476 2.631 20 30 EFEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702647 1280982534 /nfs/dbraw/zinc/98/25/34/1280982534.db2.gz YQWMBLXPAOTHAL-HOTGVXAUSA-N 2 0 333.476 2.631 20 30 EFEDRP CC(C)[Si](C#C[NH2+]CCOCCOCC[NH3+])(C(C)C)C(C)C ZINC001170507761 1281059577 /nfs/dbraw/zinc/05/95/77/1281059577.db2.gz KNNYFCQGZHYVGH-UHFFFAOYSA-N 2 0 328.573 2.747 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147842251 1281316270 /nfs/dbraw/zinc/31/62/70/1281316270.db2.gz ZDCBDYLLCUMRRN-RBUKOAKNSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147847223 1281320597 /nfs/dbraw/zinc/32/05/97/1281320597.db2.gz QVMICRPVYCRDHE-QGZVFWFLSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147890019 1281324551 /nfs/dbraw/zinc/32/45/51/1281324551.db2.gz PTFRVRQBIFLJGO-INIZCTEOSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965411 1281364231 /nfs/dbraw/zinc/36/42/31/1281364231.db2.gz GXBKOAYGICXTIN-PKOBYXMFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986622 1281390175 /nfs/dbraw/zinc/39/01/75/1281390175.db2.gz SZRNLSFIGZQHIS-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147987124 1281390206 /nfs/dbraw/zinc/39/02/06/1281390206.db2.gz YKHMCKPMYKBUSE-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993308 1281393084 /nfs/dbraw/zinc/39/30/84/1281393084.db2.gz RLVIMFDWSIHWHR-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001148126075 1281431764 /nfs/dbraw/zinc/43/17/64/1281431764.db2.gz SDUOMFREXBLBCO-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148286797 1281495131 /nfs/dbraw/zinc/49/51/31/1281495131.db2.gz ZJSGQGRPKKKROA-GOSISDBHSA-N 2 0 335.536 2.975 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001148291629 1281497120 /nfs/dbraw/zinc/49/71/20/1281497120.db2.gz ATGNRGDZXSQISO-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001148418185 1281551982 /nfs/dbraw/zinc/55/19/82/1281551982.db2.gz DFJDOULXYQCZHY-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001148480788 1281569888 /nfs/dbraw/zinc/56/98/88/1281569888.db2.gz JKZAIELAAGFPQV-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148611648 1281652182 /nfs/dbraw/zinc/65/21/82/1281652182.db2.gz HSAXCBYMHRRRNI-IBGZPJMESA-N 2 0 341.499 2.790 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737935 1281685720 /nfs/dbraw/zinc/68/57/20/1281685720.db2.gz SCEIOHMJPTUXKE-GGPKGHCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838579 1281778852 /nfs/dbraw/zinc/77/88/52/1281778852.db2.gz AVCWKSUXJFUYQM-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086910360 1281913003 /nfs/dbraw/zinc/91/30/03/1281913003.db2.gz RQJLFXRMVIIYMF-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927497 1281925095 /nfs/dbraw/zinc/92/50/95/1281925095.db2.gz DKVHQOYJTXLQSO-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926233 1281945719 /nfs/dbraw/zinc/94/57/19/1281945719.db2.gz SJFDZDPOWIPIFQ-RTBURBONSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941236 1281970025 /nfs/dbraw/zinc/97/00/25/1281970025.db2.gz NVMIHTZWXFJOJZ-SFHVURJKSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942189 1281971453 /nfs/dbraw/zinc/97/14/53/1281971453.db2.gz KVPGGXHAJPQGQI-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942190 1281971811 /nfs/dbraw/zinc/97/18/11/1281971811.db2.gz KVPGGXHAJPQGQI-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947060 1281986854 /nfs/dbraw/zinc/98/68/54/1281986854.db2.gz OUPWLOYZTOYIHT-GOSISDBHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928827 1281991304 /nfs/dbraw/zinc/99/13/04/1281991304.db2.gz PJSLTDRVDMFJQE-QZTJIDSGSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952833 1282016464 /nfs/dbraw/zinc/01/64/64/1282016464.db2.gz RLFJHKVBADIHLY-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001086953640 1282019500 /nfs/dbraw/zinc/01/95/00/1282019500.db2.gz OOQSUKHWHAGNCV-GOSISDBHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804375 1282130947 /nfs/dbraw/zinc/13/09/47/1282130947.db2.gz BSVSQDLSUNMVNR-UZLBHIALSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091804743 1282133108 /nfs/dbraw/zinc/13/31/08/1282133108.db2.gz SBCNBRUEAMDJTK-UTKZUKDTSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092070847 1282367346 /nfs/dbraw/zinc/36/73/46/1282367346.db2.gz ANWNEDWACQXHNP-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092302902 1282550287 /nfs/dbraw/zinc/55/02/87/1282550287.db2.gz FFAACRUEIRTLDH-SBHAEUEKSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132129096 1283012809 /nfs/dbraw/zinc/01/28/09/1283012809.db2.gz SAJDLJAXGAKFBT-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141014 1283065221 /nfs/dbraw/zinc/06/52/21/1283065221.db2.gz NXGPFYKMWIHXHF-MSOLQXFVSA-N 2 0 344.503 2.843 20 30 EFEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141145 1283065632 /nfs/dbraw/zinc/06/56/32/1283065632.db2.gz OKROYEDZMQPPRF-SJORKVTESA-N 2 0 333.520 2.632 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854783 1283075484 /nfs/dbraw/zinc/07/54/84/1283075484.db2.gz XCDCALBBWMGAAX-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093120990 1283263903 /nfs/dbraw/zinc/26/39/03/1283263903.db2.gz SGCGXPIZMAQONU-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762622 1283478413 /nfs/dbraw/zinc/47/84/13/1283478413.db2.gz LVVSZDMIHDWDGI-WBVHZDCISA-N 2 0 344.846 2.623 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224422 1283512572 /nfs/dbraw/zinc/51/25/72/1283512572.db2.gz VTRYNIPXLAFAJA-SJLPKXTDSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793719 1283724392 /nfs/dbraw/zinc/72/43/92/1283724392.db2.gz KKYNRRVTLHWVAR-CVEARBPZSA-N 2 0 339.911 2.536 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001093370911 1283806281 /nfs/dbraw/zinc/80/62/81/1283806281.db2.gz GYWZKUAUIPSRPI-GOSISDBHSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093376903 1283826489 /nfs/dbraw/zinc/82/64/89/1283826489.db2.gz CLKNQEWUPVXQII-IBGZPJMESA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001093376552 1283826930 /nfs/dbraw/zinc/82/69/30/1283826930.db2.gz ADFGISJSJUWFPG-PXNSSMCTSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001093377044 1283829979 /nfs/dbraw/zinc/82/99/79/1283829979.db2.gz FOEJCJRRVYREGX-YLJYHZDGSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379674 1283839893 /nfs/dbraw/zinc/83/98/93/1283839893.db2.gz FYCLTMXLORKAEO-OALUTQOASA-N 2 0 347.547 2.996 20 30 EFEDRP C#CCN(C)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000815652654 1287672214 /nfs/dbraw/zinc/67/22/14/1287672214.db2.gz LLZDFWZCANWKTB-UHFFFAOYSA-N 2 0 327.516 2.974 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836512 1284155207 /nfs/dbraw/zinc/15/52/07/1284155207.db2.gz RPOMQROQWGIIIN-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859931 1284338655 /nfs/dbraw/zinc/33/86/55/1284338655.db2.gz XXRUINQCAOFYEP-MOPGFXCFSA-N 2 0 333.520 2.606 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132870129 1284404579 /nfs/dbraw/zinc/40/45/79/1284404579.db2.gz QLVQEJWMSWEPDV-RDJZCZTQSA-N 2 0 347.528 2.521 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112647 1287714544 /nfs/dbraw/zinc/71/45/44/1287714544.db2.gz XPDGAUXGUFSFCR-NQIIRXRSSA-N 2 0 343.515 2.751 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001176112605 1287714644 /nfs/dbraw/zinc/71/46/44/1287714644.db2.gz WTVFUCOMKCMENC-RTBURBONSA-N 2 0 335.536 2.929 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132925397 1284475052 /nfs/dbraw/zinc/47/50/52/1284475052.db2.gz XJPVMUSWKJSIRB-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132932333 1284484886 /nfs/dbraw/zinc/48/48/86/1284484886.db2.gz ILMGWWOLIZGYJO-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001176112766 1287715685 /nfs/dbraw/zinc/71/56/85/1287715685.db2.gz ZHZSVNOFQCGMJM-RBUKOAKNSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132937043 1284488540 /nfs/dbraw/zinc/48/85/40/1284488540.db2.gz FWURJJMDNFAFCC-HOCLYGCPSA-N 2 0 326.444 2.517 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941929 1284497353 /nfs/dbraw/zinc/49/73/53/1284497353.db2.gz SPAHPOPAUDKANE-ZWKOTPCHSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973915 1284534027 /nfs/dbraw/zinc/53/40/27/1284534027.db2.gz SVIXMBGAKBRICV-FUHWJXTLSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132974171 1284543381 /nfs/dbraw/zinc/54/33/81/1284543381.db2.gz XIUPQVYWXDMHLM-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133017052 1284626971 /nfs/dbraw/zinc/62/69/71/1284626971.db2.gz SMPUZGKUKMUZSR-ZWKOTPCHSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011373 1284653815 /nfs/dbraw/zinc/65/38/15/1284653815.db2.gz JAIRYHMTISVKMN-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133039654 1284665944 /nfs/dbraw/zinc/66/59/44/1284665944.db2.gz UBWSVLGZZZRJCA-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCC)CC1 ZINC001110152496 1284674830 /nfs/dbraw/zinc/67/48/30/1284674830.db2.gz XKGIUJWGAVWVEP-AABGKKOBSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133031770 1284686900 /nfs/dbraw/zinc/68/69/00/1284686900.db2.gz SUTOGJZTYIABLS-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064430 1284729769 /nfs/dbraw/zinc/72/97/69/1284729769.db2.gz MQUCDCMMCPIMBK-NVXWUHKLSA-N 2 0 333.476 2.605 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117355 1284823088 /nfs/dbraw/zinc/82/30/88/1284823088.db2.gz JPGZBSZZJACEED-GOEBONIOSA-N 2 0 341.927 2.545 20 30 EFEDRP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176164301 1287741844 /nfs/dbraw/zinc/74/18/44/1287741844.db2.gz AAEVEZBQBQTRLI-GOSISDBHSA-N 2 0 343.556 2.800 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133154836 1284884170 /nfs/dbraw/zinc/88/41/70/1284884170.db2.gz HBAROCWJFICTLA-RHSMWYFYSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133246421 1285047236 /nfs/dbraw/zinc/04/72/36/1285047236.db2.gz WNAKSZPJYVNCIK-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133249875 1285052814 /nfs/dbraw/zinc/05/28/14/1285052814.db2.gz LOOZZODFEFTCLA-SJORKVTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001133262884 1285079571 /nfs/dbraw/zinc/07/95/71/1285079571.db2.gz NCTWGLPXIHOGHA-GOEBONIOSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133256066 1285095718 /nfs/dbraw/zinc/09/57/18/1285095718.db2.gz ZQDAHSHZINZPHG-GDBMZVCRSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133256067 1285096037 /nfs/dbraw/zinc/09/60/37/1285096037.db2.gz ZQDAHSHZINZPHG-GOEBONIOSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC001094453287 1285125349 /nfs/dbraw/zinc/12/53/49/1285125349.db2.gz RGQJOMIEALUUDX-UYAOXDASSA-N 2 0 338.455 2.803 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133333531 1285210058 /nfs/dbraw/zinc/21/00/58/1285210058.db2.gz IVNDINNHFGVFSJ-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133338236 1285218693 /nfs/dbraw/zinc/21/86/93/1285218693.db2.gz UHFSPPPNJJBVGY-RDJZCZTQSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001133341619 1285221877 /nfs/dbraw/zinc/22/18/77/1285221877.db2.gz JIBMSRYRGOZCJB-SJLPKXTDSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133358477 1285255010 /nfs/dbraw/zinc/25/50/10/1285255010.db2.gz ALGXNBKSUBZQIO-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC001094582797 1285353124 /nfs/dbraw/zinc/35/31/24/1285353124.db2.gz XOJGLRSHVKLRDC-TZIWHRDSSA-N 2 0 341.499 2.909 20 30 EFEDRP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001133410765 1285373809 /nfs/dbraw/zinc/37/38/09/1285373809.db2.gz ZZTLNLILIKDBCM-QGZVFWFLSA-N 2 0 349.906 2.786 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903974 1285392047 /nfs/dbraw/zinc/39/20/47/1285392047.db2.gz KEQJERDBWDYJKS-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3CC)CCC[C@@H]12 ZINC001094585400 1285417695 /nfs/dbraw/zinc/41/76/95/1285417695.db2.gz VCHHUDSNZOLODV-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161664 1285503781 /nfs/dbraw/zinc/50/37/81/1285503781.db2.gz OVCLMUHBGSIGAY-XWSJACJDSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171619209 1285682413 /nfs/dbraw/zinc/68/24/13/1285682413.db2.gz RHCDLULJUNBOLE-KRWDZBQOSA-N 2 0 332.492 2.749 20 30 EFEDRP CC[C@H](C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](CC)CC ZINC001133685528 1285779829 /nfs/dbraw/zinc/77/98/29/1285779829.db2.gz VIIGKIXZFSTCKN-GOSISDBHSA-N 2 0 349.906 2.518 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001171918183 1285902838 /nfs/dbraw/zinc/90/28/38/1285902838.db2.gz MCYIUZRWYHLZEP-DOTOQJQBSA-N 2 0 341.927 2.878 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918645 1285904144 /nfs/dbraw/zinc/90/41/44/1285904144.db2.gz QXZBNTFXBKQLNP-GOSISDBHSA-N 2 0 335.536 2.929 20 30 EFEDRP C[C@H](CCCC#N)[NH2+]CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001172484796 1286146238 /nfs/dbraw/zinc/14/62/38/1286146238.db2.gz IKRPPKYOXOJRGT-MRXNPFEDSA-N 2 0 340.512 2.895 20 30 EFEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499974 1286173361 /nfs/dbraw/zinc/17/33/61/1286173361.db2.gz VWANJPZTAMZJCD-DFQSSKMNSA-N 2 0 342.487 2.687 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001094950193 1286276568 /nfs/dbraw/zinc/27/65/68/1286276568.db2.gz GLPZKDFNWGUUCK-JZXOWHBKSA-N 2 0 338.455 2.802 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001095063243 1286473117 /nfs/dbraw/zinc/47/31/17/1286473117.db2.gz VRIPEVNWJNRSNC-UHOSZYNNSA-N 2 0 341.499 2.907 20 30 EFEDRP C=CCOC1CCC([NH+]2CCN(CC[NH+](CC=C)CC=C)CC2)CC1 ZINC001173322299 1286526746 /nfs/dbraw/zinc/52/67/46/1286526746.db2.gz AQOQNUOEOTWABY-UHFFFAOYSA-N 2 0 347.547 2.792 20 30 EFEDRP C=CCOC1CCC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001173316458 1286536296 /nfs/dbraw/zinc/53/62/96/1286536296.db2.gz KOTJRPHYYKNIQE-UHFFFAOYSA-N 2 0 325.541 2.976 20 30 EFEDRP C=CCOC1CCC([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001173318533 1286538711 /nfs/dbraw/zinc/53/87/11/1286538711.db2.gz ZDYURXHQGYROKP-GPANFISMSA-N 2 0 341.496 2.680 20 30 EFEDRP CCN1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173360104 1286547332 /nfs/dbraw/zinc/54/73/32/1286547332.db2.gz XKQVSGUWZVRFTI-VAMGGRTRSA-N 2 0 326.488 2.724 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772757 1287169679 /nfs/dbraw/zinc/16/96/79/1287169679.db2.gz HJQWLZDMYBWAIL-MSOLQXFVSA-N 2 0 343.515 2.641 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001134773998 1287171819 /nfs/dbraw/zinc/17/18/19/1287171819.db2.gz TZOYBOVPDAKKBB-HOTGVXAUSA-N 2 0 344.503 2.661 20 30 EFEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783714 1287185843 /nfs/dbraw/zinc/18/58/43/1287185843.db2.gz OPSVEZNXZPQHRU-IRXDYDNUSA-N 2 0 332.492 2.747 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176279662 1287920868 /nfs/dbraw/zinc/92/08/68/1287920868.db2.gz PBEVJHARKCZQRL-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176284390 1287922914 /nfs/dbraw/zinc/92/29/14/1287922914.db2.gz FQMPHSQXBUPJSZ-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176729022 1288086330 /nfs/dbraw/zinc/08/63/30/1288086330.db2.gz UWDQZIFUMRIREQ-INIZCTEOSA-N 2 0 329.916 2.880 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CC)CC1 ZINC001176737059 1288087744 /nfs/dbraw/zinc/08/77/44/1288087744.db2.gz GMBYKEAEKLQFDK-LIXSYLKWSA-N 2 0 347.547 2.953 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760167 1288122815 /nfs/dbraw/zinc/12/28/15/1288122815.db2.gz QWRXDZQTWDYJOD-HZPDHXFCSA-N 2 0 329.916 2.878 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001176925765 1288175131 /nfs/dbraw/zinc/17/51/31/1288175131.db2.gz ARATVDYOUMYWDX-RTBURBONSA-N 2 0 347.547 2.644 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC2CCCCCC2)CC1 ZINC001176926613 1288176644 /nfs/dbraw/zinc/17/66/44/1288176644.db2.gz QKBCLYGQLILATD-UHFFFAOYSA-N 2 0 347.547 2.788 20 30 EFEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691438 1288268605 /nfs/dbraw/zinc/26/86/05/1288268605.db2.gz URPYOLDRASFVGR-MSOLQXFVSA-N 2 0 341.540 2.574 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086759123 1288312945 /nfs/dbraw/zinc/31/29/45/1288312945.db2.gz PFZXVRQZOPRKJM-DZGCQCFKSA-N 2 0 332.835 2.575 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001177339588 1288398931 /nfs/dbraw/zinc/39/89/31/1288398931.db2.gz LHYACCOXULESHP-FQEVSTJZSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001177340026 1288399288 /nfs/dbraw/zinc/39/92/88/1288399288.db2.gz XRONCNTVVMMGEH-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001177342111 1288399784 /nfs/dbraw/zinc/39/97/84/1288399784.db2.gz JNTAEGSGVUPUBE-IBGZPJMESA-N 2 0 335.536 2.594 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001177352841 1288414921 /nfs/dbraw/zinc/41/49/21/1288414921.db2.gz ODSKREPBBJBLTI-UHFFFAOYSA-N 2 0 335.536 2.739 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001177408874 1288420585 /nfs/dbraw/zinc/42/05/85/1288420585.db2.gz JNTAEGSGVUPUBE-LJQANCHMSA-N 2 0 335.536 2.594 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001177416249 1288424709 /nfs/dbraw/zinc/42/47/09/1288424709.db2.gz XMMBDUDNESPUNS-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001177462956 1288429486 /nfs/dbraw/zinc/42/94/86/1288429486.db2.gz HNRSKKIOTBMZBF-PMACEKPBSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+](C)C ZINC001177466854 1288431478 /nfs/dbraw/zinc/43/14/78/1288431478.db2.gz GRVGWWISGLUECW-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001177437068 1288440500 /nfs/dbraw/zinc/44/05/00/1288440500.db2.gz LKUDJGXNDSUNDP-QGZVFWFLSA-N 2 0 344.503 2.610 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902736 1288571495 /nfs/dbraw/zinc/57/14/95/1288571495.db2.gz YIVSCOAXZUNZIP-HUUCEWRRSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cn1 ZINC001135915843 1288595101 /nfs/dbraw/zinc/59/51/01/1288595101.db2.gz CTXAKQLPHNMBAR-KBPBESRZSA-N 2 0 347.850 2.506 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001203355535 1288674407 /nfs/dbraw/zinc/67/44/07/1288674407.db2.gz ZJIGLYMRSKYCET-OAHLLOKOSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178467917 1288794855 /nfs/dbraw/zinc/79/48/55/1288794855.db2.gz LABZNWQZTSUVNY-INIZCTEOSA-N 2 0 329.916 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178523428 1288806389 /nfs/dbraw/zinc/80/63/89/1288806389.db2.gz ZAUQAHAOSOGZQF-JKSUJKDBSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001178612343 1288837941 /nfs/dbraw/zinc/83/79/41/1288837941.db2.gz WJUKPLKRUKLHSH-OAHLLOKOSA-N 2 0 335.895 2.685 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)CCC=C ZINC001178722873 1288867787 /nfs/dbraw/zinc/86/77/87/1288867787.db2.gz RWRBJAXDYQOLAY-MOPGFXCFSA-N 2 0 333.520 2.705 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178722678 1288868076 /nfs/dbraw/zinc/86/80/76/1288868076.db2.gz NCAHBYQGJRHVSY-IBGZPJMESA-N 2 0 335.536 2.786 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178689489 1288871786 /nfs/dbraw/zinc/87/17/86/1288871786.db2.gz ZGPSCVBOOPRORL-KRWDZBQOSA-N 2 0 343.943 2.983 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814741 1288944743 /nfs/dbraw/zinc/94/47/43/1288944743.db2.gz VXQGFAZWMKQTAC-BZSNNMDCSA-N 2 0 341.515 2.992 20 30 EFEDRP CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001178815744 1288945023 /nfs/dbraw/zinc/94/50/23/1288945023.db2.gz LUXUVBUGAXZLBW-LJQANCHMSA-N 2 0 344.503 2.665 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001178908541 1288977486 /nfs/dbraw/zinc/97/74/86/1288977486.db2.gz XMRQFMQNYWZUSK-UHFFFAOYSA-N 2 0 326.444 2.546 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539340 1289183588 /nfs/dbraw/zinc/18/35/88/1289183588.db2.gz VKKVCJFMOJNULK-TXPKVOOTSA-N 2 0 339.499 2.744 20 30 EFEDRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001179609669 1289198231 /nfs/dbraw/zinc/19/82/31/1289198231.db2.gz XHDHGSVXUHIIJB-FQEVSTJZSA-N 2 0 343.515 2.645 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001179749813 1289257680 /nfs/dbraw/zinc/25/76/80/1289257680.db2.gz VTLRJFKRPBSZRY-UHFFFAOYSA-N 2 0 329.916 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001180204444 1289442804 /nfs/dbraw/zinc/44/28/04/1289442804.db2.gz SBVWMNCVKUWOAH-HBFSDRIKSA-N 2 0 347.547 2.593 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001165967715 1312712436 /nfs/dbraw/zinc/71/24/36/1312712436.db2.gz KPJVNVHHLFCTQC-QGZVFWFLSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCCCC)CC1 ZINC001180360349 1289494659 /nfs/dbraw/zinc/49/46/59/1289494659.db2.gz FKJTYOLLOKXOOM-UHFFFAOYSA-N 2 0 335.536 2.788 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001180360622 1289494954 /nfs/dbraw/zinc/49/49/54/1289494954.db2.gz KOGGERGGIMEUOB-IBGZPJMESA-N 2 0 347.547 2.953 20 30 EFEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)N(C)C ZINC001180386572 1289502836 /nfs/dbraw/zinc/50/28/36/1289502836.db2.gz DUQKBUKZAZXWBI-LJQANCHMSA-N 2 0 346.519 2.917 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369586 1289516287 /nfs/dbraw/zinc/51/62/87/1289516287.db2.gz MOXBQRYVSQZJJN-UHFFFAOYSA-N 2 0 348.329 2.501 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290979 1289706102 /nfs/dbraw/zinc/70/61/02/1289706102.db2.gz HMYTYJHCVZQJMP-HKUYNNGSSA-N 2 0 325.456 2.684 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293305 1289707248 /nfs/dbraw/zinc/70/72/48/1289707248.db2.gz YYNNUWSPVMFTPU-APWZRJJASA-N 2 0 328.456 2.508 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001166173097 1312740516 /nfs/dbraw/zinc/74/05/16/1312740516.db2.gz CAMKWEUQJRKQAH-UHFFFAOYSA-N 2 0 332.835 2.577 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001182124791 1290078765 /nfs/dbraw/zinc/07/87/65/1290078765.db2.gz AJFVDPABNOPIIT-OXQOHEQNSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001182806885 1290256991 /nfs/dbraw/zinc/25/69/91/1290256991.db2.gz OBISXHDOTOIDKK-QWFCFKBJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001166380814 1312769213 /nfs/dbraw/zinc/76/92/13/1312769213.db2.gz LSKAXAYRKUEZEE-UHFFFAOYSA-N 2 0 343.515 2.857 20 30 EFEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001183138172 1290303329 /nfs/dbraw/zinc/30/33/29/1290303329.db2.gz OTQCUQLBGUGEJD-TZIWHRDSSA-N 2 0 349.563 2.986 20 30 EFEDRP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183410967 1290340440 /nfs/dbraw/zinc/34/04/40/1290340440.db2.gz ULRUQMGXLSNYCI-QWFCFKBJSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517101 1290352653 /nfs/dbraw/zinc/35/26/53/1290352653.db2.gz OUYIBXBOBWGERV-WSTZPKSXSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183517062 1290353104 /nfs/dbraw/zinc/35/31/04/1290353104.db2.gz MXROYDHTLRIHLH-SFHLNBCPSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183516868 1290353600 /nfs/dbraw/zinc/35/36/00/1290353600.db2.gz BXCZTSNSXZHMOO-SVFBPWRDSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184651054 1290487351 /nfs/dbraw/zinc/48/73/51/1290487351.db2.gz BWOWQCIZLRUAEF-RBUKOAKNSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184651570 1290488433 /nfs/dbraw/zinc/48/84/33/1290488433.db2.gz GGMXEVDATFNGOU-RBUKOAKNSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184652120 1290488602 /nfs/dbraw/zinc/48/86/02/1290488602.db2.gz KVGLFGCCCLDDCL-MSOLQXFVSA-N 2 0 333.520 2.513 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001184682250 1290499227 /nfs/dbraw/zinc/49/92/27/1290499227.db2.gz CEGIUXJFLSBAQC-QZTJIDSGSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821205 1290530577 /nfs/dbraw/zinc/53/05/77/1290530577.db2.gz JJJPTLWPXOGUJY-DLBZAZTESA-N 2 0 340.471 2.988 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001184882754 1290535059 /nfs/dbraw/zinc/53/50/59/1290535059.db2.gz NZWFESMWGHHNCS-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC001185053301 1290577028 /nfs/dbraw/zinc/57/70/28/1290577028.db2.gz SBIYIFLKVJAFKQ-IRXDYDNUSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261913 1290627765 /nfs/dbraw/zinc/62/77/65/1290627765.db2.gz YXIYRLYMJBUNMY-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185740663 1290753600 /nfs/dbraw/zinc/75/36/00/1290753600.db2.gz CYXQAHWFTRRWLV-WBVHZDCISA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776470 1291019290 /nfs/dbraw/zinc/01/92/90/1291019290.db2.gz NXHCDPDIJLCZQU-MSOLQXFVSA-N 2 0 349.906 2.827 20 30 EFEDRP C=CCN1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009052 1291105338 /nfs/dbraw/zinc/10/53/38/1291105338.db2.gz GDBNDLRLKIWHFK-HOTGVXAUSA-N 2 0 337.508 2.918 20 30 EFEDRP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000877045523 1291115069 /nfs/dbraw/zinc/11/50/69/1291115069.db2.gz BCHMWIUNLZGYKT-GOSISDBHSA-N 2 0 345.487 2.692 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188406067 1291385822 /nfs/dbraw/zinc/38/58/22/1291385822.db2.gz ZXASTUOMNYZGKB-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188569052 1291411228 /nfs/dbraw/zinc/41/12/28/1291411228.db2.gz YLDVNHOOYGGXQE-TXPKVOOTSA-N 2 0 338.455 2.835 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000957568286 1291780549 /nfs/dbraw/zinc/78/05/49/1291780549.db2.gz GUHYSQOGLFBONE-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000957573349 1291785515 /nfs/dbraw/zinc/78/55/15/1291785515.db2.gz UCRCHZUFLQXZOZ-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611741 1312881027 /nfs/dbraw/zinc/88/10/27/1312881027.db2.gz FSRBFKLECKKBRD-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957603283 1291854974 /nfs/dbraw/zinc/85/49/74/1291854974.db2.gz QAGWBVCHECKCDC-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603214 1291855951 /nfs/dbraw/zinc/85/59/51/1291855951.db2.gz OKXDVONYGIVSLR-OALUTQOASA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957617529 1291891642 /nfs/dbraw/zinc/89/16/42/1291891642.db2.gz PLVQCKQGMPKAKV-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC000957625959 1291911705 /nfs/dbraw/zinc/91/17/05/1291911705.db2.gz CLMVPAVASVPYTQ-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000957647301 1291958383 /nfs/dbraw/zinc/95/83/83/1291958383.db2.gz BLAUHYRDJAEANZ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647443 1291959921 /nfs/dbraw/zinc/95/99/21/1291959921.db2.gz IHBISQKLNJRSHE-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016643780 1312898496 /nfs/dbraw/zinc/89/84/96/1312898496.db2.gz SYFNSHVMNCDLTO-OAHLLOKOSA-N 2 0 333.501 2.580 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176698 1292044226 /nfs/dbraw/zinc/04/42/26/1292044226.db2.gz OOPJZDDDUYRGAM-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473579 1312900343 /nfs/dbraw/zinc/90/03/43/1312900343.db2.gz MCVMYGRJZYIUMU-MISYRCLQSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001049473578 1312900687 /nfs/dbraw/zinc/90/06/87/1312900687.db2.gz MCVMYGRJZYIUMU-DFQSSKMNSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190247078 1292078555 /nfs/dbraw/zinc/07/85/55/1292078555.db2.gz KJSQGCZVSYIXGY-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203310962 1312905138 /nfs/dbraw/zinc/90/51/38/1312905138.db2.gz KJJQDLJUBIHDQA-IRXDYDNUSA-N 2 0 345.487 2.938 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016653757 1312905988 /nfs/dbraw/zinc/90/59/88/1312905988.db2.gz BLLHXOHPNRSEEZ-ZWKOTPCHSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478503 1312907045 /nfs/dbraw/zinc/90/70/45/1312907045.db2.gz PBIIZTWSGNABFU-ROUUACIJSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049479899 1312908955 /nfs/dbraw/zinc/90/89/55/1312908955.db2.gz CNMXWQRLEXXNIH-WJFTUGDTSA-N 2 0 333.520 2.748 20 30 EFEDRP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000879593492 1292200291 /nfs/dbraw/zinc/20/02/91/1292200291.db2.gz XTMSIJJUNUUZNN-UHFFFAOYSA-N 2 0 340.515 2.700 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462932 1312930021 /nfs/dbraw/zinc/93/00/21/1312930021.db2.gz UAUMDHXRJRGWJG-ROUUACIJSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203462933 1312930054 /nfs/dbraw/zinc/93/00/54/1312930054.db2.gz UAUMDHXRJRGWJG-ZWKOTPCHSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049509453 1312942314 /nfs/dbraw/zinc/94/23/14/1312942314.db2.gz USRBHFZCERUZCY-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947262 1292724205 /nfs/dbraw/zinc/72/42/05/1292724205.db2.gz HSNDFTUASKQPLQ-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513365 1312948357 /nfs/dbraw/zinc/94/83/57/1312948357.db2.gz VDVFELYKTHUEFU-HZPDHXFCSA-N 2 0 333.501 2.675 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540986 1312951292 /nfs/dbraw/zinc/95/12/92/1312951292.db2.gz ZGNYWTLWZPOQCM-QZTJIDSGSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001203557814 1312955670 /nfs/dbraw/zinc/95/56/70/1312955670.db2.gz PVTGGQYRGDMCNX-ZWKOTPCHSA-N 2 0 333.520 2.700 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001049519705 1312958507 /nfs/dbraw/zinc/95/85/07/1312958507.db2.gz AQIVFLGILBCQOJ-GUDVDZBRSA-N 2 0 333.520 2.891 20 30 EFEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303268670 1292918044 /nfs/dbraw/zinc/91/80/44/1292918044.db2.gz ZDSQNNIHITVEST-GOSISDBHSA-N 2 0 345.535 2.600 20 30 EFEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303268674 1292918247 /nfs/dbraw/zinc/91/82/47/1292918247.db2.gz ZDSQNNIHITVEST-SFHVURJKSA-N 2 0 345.535 2.600 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095903888 1292923750 /nfs/dbraw/zinc/92/37/50/1292923750.db2.gz QFYHABJYBQYZAN-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016761136 1312963610 /nfs/dbraw/zinc/96/36/10/1312963610.db2.gz GSDRKVNFCFKJNB-OAHLLOKOSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192844764 1293079312 /nfs/dbraw/zinc/07/93/12/1293079312.db2.gz ATHVKDDTZHATOI-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016789003 1312980836 /nfs/dbraw/zinc/98/08/36/1312980836.db2.gz FYSOBVHRZPGIRC-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016789004 1312980918 /nfs/dbraw/zinc/98/09/18/1312980918.db2.gz FYSOBVHRZPGIRC-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016789006 1312981192 /nfs/dbraw/zinc/98/11/92/1312981192.db2.gz FYSOBVHRZPGIRC-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408517 1293294659 /nfs/dbraw/zinc/29/46/59/1293294659.db2.gz LWNNUPWUKHPTDE-QUCCMNQESA-N 2 0 329.488 2.572 20 30 EFEDRP C=CCC[NH2+]C1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001203295688 1293300213 /nfs/dbraw/zinc/30/02/13/1293300213.db2.gz JWIXMVFOFITUIG-FQEVSTJZSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193423922 1293302961 /nfs/dbraw/zinc/30/29/61/1293302961.db2.gz HSLKSLSMWHBLRS-RBUKOAKNSA-N 2 0 329.488 2.788 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001202552710 1293453170 /nfs/dbraw/zinc/45/31/70/1293453170.db2.gz QAHNPMYWVCVSOI-QZTJIDSGSA-N 2 0 344.503 2.851 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203742403 1313003939 /nfs/dbraw/zinc/00/39/39/1313003939.db2.gz NEIYDIHELPKXRU-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203743581 1313004058 /nfs/dbraw/zinc/00/40/58/1313004058.db2.gz SUORFUUAIZFDNT-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCCCC=C)C2)CC1 ZINC001194245999 1293568593 /nfs/dbraw/zinc/56/85/93/1293568593.db2.gz IQHYURVQKDOUCY-HXUWFJFHSA-N 2 0 345.531 2.611 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245971 1293568686 /nfs/dbraw/zinc/56/86/86/1293568686.db2.gz HUVAGHHXKZWAQQ-GOSISDBHSA-N 2 0 329.488 2.861 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC/C=C/CCC)C2)CC1 ZINC001194246544 1293569394 /nfs/dbraw/zinc/56/93/94/1293569394.db2.gz OMBCGWZOEQYMTA-AQKVLALTSA-N 2 0 345.531 2.611 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001203771805 1313011588 /nfs/dbraw/zinc/01/15/88/1313011588.db2.gz PAXZYIFJLTZBRO-OALUTQOASA-N 2 0 341.499 2.955 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862001 1313015510 /nfs/dbraw/zinc/01/55/10/1313015510.db2.gz RLOWQKUMUXIXOY-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016878528 1313023903 /nfs/dbraw/zinc/02/39/03/1313023903.db2.gz VGJQJQNQAOKVBC-LJQANCHMSA-N 2 0 341.499 2.909 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568774 1313030255 /nfs/dbraw/zinc/03/02/55/1313030255.db2.gz WKFKKJMFFYSJNM-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016906055 1313036470 /nfs/dbraw/zinc/03/64/70/1313036470.db2.gz JIVIXYGXRKJSKK-SFHVURJKSA-N 2 0 333.520 2.654 20 30 EFEDRP C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775649999 1293905279 /nfs/dbraw/zinc/90/52/79/1293905279.db2.gz WEVLTDWZQIFSCU-UHFFFAOYSA-N 2 0 334.467 2.942 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016924775 1313044993 /nfs/dbraw/zinc/04/49/93/1313044993.db2.gz YWNWLJBXYAZZAT-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195873813 1294066759 /nfs/dbraw/zinc/06/67/59/1294066759.db2.gz MXKONZATSRNZSQ-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016981508 1313070170 /nfs/dbraw/zinc/07/01/70/1313070170.db2.gz CVAWNKSDRXMFQO-IBGZPJMESA-N 2 0 341.499 2.909 20 30 EFEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001196918432 1294399946 /nfs/dbraw/zinc/39/99/46/1294399946.db2.gz QURKANYFVSSNBP-OALUTQOASA-N 2 0 335.536 2.997 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](Nc1ccccc1)C(C)C ZINC000303774868 1294578114 /nfs/dbraw/zinc/57/81/14/1294578114.db2.gz GGPLLHQVDBPJGE-ZWKOTPCHSA-N 2 0 331.508 2.512 20 30 EFEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303778030 1294579512 /nfs/dbraw/zinc/57/95/12/1294579512.db2.gz JGUSPAWDTMRILP-GVDBMIGSSA-N 2 0 326.529 2.605 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000303864957 1294592022 /nfs/dbraw/zinc/59/20/22/1294592022.db2.gz BKGHRNIAMPFPOX-QGZVFWFLSA-N 2 0 332.492 2.610 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303881280 1294596575 /nfs/dbraw/zinc/59/65/75/1294596575.db2.gz KSDSZYVPZNWMST-CQSZACIVSA-N 2 0 348.491 2.941 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000303893011 1294599922 /nfs/dbraw/zinc/59/99/22/1294599922.db2.gz NZHDDPJUCHFZMF-KGLIPLIRSA-N 2 0 334.464 2.693 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000303893751 1294600022 /nfs/dbraw/zinc/60/00/22/1294600022.db2.gz OKQRFOCDYGNSDC-KRWDZBQOSA-N 2 0 346.519 2.749 20 30 EFEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303898997 1294601448 /nfs/dbraw/zinc/60/14/48/1294601448.db2.gz VWEMUPHQXFBFFO-MJGOQNOKSA-N 2 0 328.504 2.598 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615586 1313089668 /nfs/dbraw/zinc/08/96/68/1313089668.db2.gz LVBHONLXDKCDFK-IPMKNSEASA-N 2 0 331.504 2.502 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H](C)CC(C)C)CC2)CC1 ZINC001203888504 1294781482 /nfs/dbraw/zinc/78/14/82/1294781482.db2.gz MUYBQJIACRWKKM-SFHVURJKSA-N 2 0 347.547 2.594 20 30 EFEDRP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001197964302 1294814469 /nfs/dbraw/zinc/81/44/69/1294814469.db2.gz OKKXWSWGTKZDQO-FQEVSTJZSA-N 2 0 335.536 2.977 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234414006 1313123182 /nfs/dbraw/zinc/12/31/82/1313123182.db2.gz NCIYNEDXRCZBJF-CEXWTWQISA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234414007 1313123446 /nfs/dbraw/zinc/12/34/46/1313123446.db2.gz NCIYNEDXRCZBJF-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276457663 1313128201 /nfs/dbraw/zinc/12/82/01/1313128201.db2.gz RWTZJTMQZPBRIC-FWEDTRJPSA-N 2 0 337.552 2.850 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198616562 1295148569 /nfs/dbraw/zinc/14/85/69/1295148569.db2.gz IUBNJOARYQDPHH-ROUUACIJSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198616561 1295148948 /nfs/dbraw/zinc/14/89/48/1295148948.db2.gz IUBNJOARYQDPHH-QZTJIDSGSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198774738 1295245216 /nfs/dbraw/zinc/24/52/16/1295245216.db2.gz ADUOVIBGQDSLPB-KRWDZBQOSA-N 2 0 347.503 2.749 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198776767 1295247244 /nfs/dbraw/zinc/24/72/44/1295247244.db2.gz UFWUFGUJFKOEPF-ROUUACIJSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198938935 1295343094 /nfs/dbraw/zinc/34/30/94/1295343094.db2.gz FKTKUAXYOKERON-SFHVURJKSA-N 2 0 347.503 2.750 20 30 EFEDRP C=CCCC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953552 1295352804 /nfs/dbraw/zinc/35/28/04/1295352804.db2.gz PWDPQNUWKUNRRR-SFHVURJKSA-N 2 0 347.503 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049665260 1313156592 /nfs/dbraw/zinc/15/65/92/1313156592.db2.gz UUDOPLCWCVZLIV-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049665284 1313157242 /nfs/dbraw/zinc/15/72/42/1313157242.db2.gz UUDOPLCWCVZLIV-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049665276 1313157743 /nfs/dbraw/zinc/15/77/43/1313157743.db2.gz UUDOPLCWCVZLIV-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP CCC[N@H+](CC)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304479263 1295639967 /nfs/dbraw/zinc/63/99/67/1295639967.db2.gz HXCCMUPKGSRTBQ-UHFFFAOYSA-N 2 0 346.397 2.721 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642115 1313176106 /nfs/dbraw/zinc/17/61/06/1313176106.db2.gz HFWIIYJYXLOVPR-QZTJIDSGSA-N 2 0 341.515 2.945 20 30 EFEDRP CCc1cccc2c(CCNC(=[NH2+])NC[C@H]3CCC[N@H+]3CC)c[nH]c21 ZINC000304740484 1295747130 /nfs/dbraw/zinc/74/71/30/1295747130.db2.gz BQNYIJRYKHVLEM-QGZVFWFLSA-N 2 0 341.503 2.661 20 30 EFEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])N2CCCCC2)CCOCC1)c1ccccc1 ZINC000304747967 1295747852 /nfs/dbraw/zinc/74/78/52/1295747852.db2.gz GWBOKMQHTLNEDH-KRWDZBQOSA-N 2 0 344.503 2.687 20 30 EFEDRP CCN(CC)C(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304752364 1295748561 /nfs/dbraw/zinc/74/85/61/1295748561.db2.gz KDXAAUXIQSVVLD-MRXNPFEDSA-N 2 0 332.492 2.543 20 30 EFEDRP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1ccccc1C ZINC000304757004 1295749946 /nfs/dbraw/zinc/74/99/46/1295749946.db2.gz OIYOUFHNOMBZFV-IAGOWNOFSA-N 2 0 332.492 2.541 20 30 EFEDRP CCCCCCCCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304760378 1295754865 /nfs/dbraw/zinc/75/48/65/1295754865.db2.gz SHONVQUWPUFYQY-UHFFFAOYSA-N 2 0 338.540 2.896 20 30 EFEDRP CCc1ccc(NC(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000304762812 1295755574 /nfs/dbraw/zinc/75/55/74/1295755574.db2.gz WAEGHGXXLXDGKG-UHFFFAOYSA-N 2 0 330.476 2.621 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000305006320 1295835203 /nfs/dbraw/zinc/83/52/03/1295835203.db2.gz PLPVVPBDISXHAL-SFHVURJKSA-N 2 0 328.504 2.788 20 30 EFEDRP CC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277889438 1313191213 /nfs/dbraw/zinc/19/12/13/1313191213.db2.gz PQBZTQXTMRZXRV-MRXNPFEDSA-N 2 0 342.487 2.552 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCC1CC[NH2+]CC1)CC2 ZINC001204848675 1313202684 /nfs/dbraw/zinc/20/26/84/1313202684.db2.gz QVKULNVAJRNMRE-UHFFFAOYSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC001204847448 1313202746 /nfs/dbraw/zinc/20/27/46/1313202746.db2.gz BCGLLWTUYYFFIU-GOSISDBHSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CCN1CC2(CCC1=O)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001274271036 1296049377 /nfs/dbraw/zinc/04/93/77/1296049377.db2.gz ZRUCQLYBOMCEJG-UHFFFAOYSA-N 2 0 338.455 2.954 20 30 EFEDRP C=CCN(CC[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1)C(=O)OCC ZINC001274929680 1296217769 /nfs/dbraw/zinc/21/77/69/1296217769.db2.gz SPJFFRFCYMTIEX-UHFFFAOYSA-N 2 0 349.519 2.971 20 30 EFEDRP CCCCCCCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275131816 1296235758 /nfs/dbraw/zinc/23/57/58/1296235758.db2.gz JLFSGYFFBURVQF-OALUTQOASA-N 2 0 325.541 2.684 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767106 1313277067 /nfs/dbraw/zinc/27/70/67/1313277067.db2.gz NNVXLKFUZKMTCF-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001205410557 1313283879 /nfs/dbraw/zinc/28/38/79/1313283879.db2.gz UCVLLZOVNINKNA-UHFFFAOYSA-N 2 0 335.517 2.828 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205419508 1313285070 /nfs/dbraw/zinc/28/50/70/1313285070.db2.gz OJAOUYMDTDUZGJ-ZWKOTPCHSA-N 2 0 347.478 2.626 20 30 EFEDRP C=CCCCC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)OCC)C1)CC[NH2+]CC3 ZINC001235326503 1313290399 /nfs/dbraw/zinc/29/03/99/1313290399.db2.gz ZEFRSPQLBVAPER-FXAWDEMLSA-N 2 0 334.504 2.988 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cccc(F)c1 ZINC001205448216 1313290888 /nfs/dbraw/zinc/29/08/88/1313290888.db2.gz CXQZLFFFCWILGC-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205463966 1313294468 /nfs/dbraw/zinc/29/44/68/1313294468.db2.gz BUSBFTYZMWCWCC-LJQANCHMSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789041 1313302334 /nfs/dbraw/zinc/30/23/34/1313302334.db2.gz UYNDZQKGWYTGRZ-RBUKOAKNSA-N 2 0 327.472 2.613 20 30 EFEDRP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC#N)C[C@H]3CC2)cc1 ZINC001277939455 1313300800 /nfs/dbraw/zinc/30/08/00/1313300800.db2.gz SRBKAHFNJVCEBA-KDURUIRLSA-N 2 0 340.471 2.702 20 30 EFEDRP N#CCCC[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943072 1313314545 /nfs/dbraw/zinc/31/45/45/1313314545.db2.gz MKNCPVXOPOZQNW-UHFFFAOYSA-N 2 0 328.460 2.769 20 30 EFEDRP N#Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1Br ZINC001205581510 1313316763 /nfs/dbraw/zinc/31/67/63/1313316763.db2.gz UWQXVVBTQRIJNO-OAHLLOKOSA-N 2 0 340.240 2.974 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594033 1313320005 /nfs/dbraw/zinc/32/00/05/1313320005.db2.gz IUCCUCCSTLBHLN-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205611895 1313322484 /nfs/dbraw/zinc/32/24/84/1313322484.db2.gz CVRYRXMIEFRRTA-UHFFFAOYSA-N 2 0 338.499 2.960 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201610703 1296966267 /nfs/dbraw/zinc/96/62/67/1296966267.db2.gz PBNWQEVSWDFWBN-HNNXBMFYSA-N 2 0 326.444 2.883 20 30 EFEDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001205673501 1313334997 /nfs/dbraw/zinc/33/49/97/1313334997.db2.gz RHTSYKJLSWQFHH-JOCHJYFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818799 1313339003 /nfs/dbraw/zinc/33/90/03/1313339003.db2.gz AMKGNGUTHGDESF-RBUKOAKNSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801821 1297089705 /nfs/dbraw/zinc/08/97/05/1297089705.db2.gz SQAMQAXDPIOHKC-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP CCCCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201813603 1297095093 /nfs/dbraw/zinc/09/50/93/1297095093.db2.gz GYKLFCPZBXFKSM-UHFFFAOYSA-N 2 0 334.508 2.871 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722542 1313384734 /nfs/dbraw/zinc/38/47/34/1313384734.db2.gz LJTTXLGXRFTTQC-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP CN(C)c1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c1C#N ZINC001235706740 1313381237 /nfs/dbraw/zinc/38/12/37/1313381237.db2.gz WYHKUVYGXJVNQH-UHFFFAOYSA-N 2 0 344.478 2.975 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206022905 1313392715 /nfs/dbraw/zinc/39/27/15/1313392715.db2.gz LMRHYQKBHWDRCH-IBGZPJMESA-N 2 0 333.520 2.798 20 30 EFEDRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236073412 1313437466 /nfs/dbraw/zinc/43/74/66/1313437466.db2.gz MTSZLLGAMCHEBK-QHCPKHFHSA-N 2 0 345.490 2.694 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439780 1298009737 /nfs/dbraw/zinc/00/97/37/1298009737.db2.gz VMOSRRQCIHGWDB-IEBWSBKVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001206445045 1313455059 /nfs/dbraw/zinc/45/50/59/1313455059.db2.gz KMWRJJHUVPBUOL-UHFFFAOYSA-N 2 0 338.883 2.587 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907220 1313466649 /nfs/dbraw/zinc/46/66/49/1313466649.db2.gz BMYUDBISGYOSTM-RBUKOAKNSA-N 2 0 327.472 2.613 20 30 EFEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236316352 1313468274 /nfs/dbraw/zinc/46/82/74/1313468274.db2.gz RKSBICPZVYWGTQ-OKILXGFUSA-N 2 0 334.261 2.752 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206549082 1313474246 /nfs/dbraw/zinc/47/42/46/1313474246.db2.gz UKFQMYONVOZBBI-IRXDYDNUSA-N 2 0 339.911 2.584 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049915164 1313479000 /nfs/dbraw/zinc/47/90/00/1313479000.db2.gz TXOWJUUPLXXXRT-AQNXPRMDSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587433 1313479766 /nfs/dbraw/zinc/47/97/66/1313479766.db2.gz FMIHRVRZRKZCGS-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001206587520 1313479835 /nfs/dbraw/zinc/47/98/35/1313479835.db2.gz KKEXLUIMKLQPKZ-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180413 1298256264 /nfs/dbraw/zinc/25/62/64/1298256264.db2.gz GVZUDQUVGBTLKN-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181345 1298259076 /nfs/dbraw/zinc/25/90/76/1298259076.db2.gz JHLKAUSKPAPEDJ-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182322 1298263357 /nfs/dbraw/zinc/26/33/57/1298263357.db2.gz LDQVSGVTQAMCTG-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961182319 1298263923 /nfs/dbraw/zinc/26/39/23/1298263923.db2.gz LDQVSGVTQAMCTG-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189199 1298275213 /nfs/dbraw/zinc/27/52/13/1298275213.db2.gz YKLNGVGRVNAGRF-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197350 1298296766 /nfs/dbraw/zinc/29/67/66/1298296766.db2.gz NOZRLQINPJLQEW-RTBURBONSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961224120 1298358408 /nfs/dbraw/zinc/35/84/08/1298358408.db2.gz CXPCEWBTNRZQBW-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222659 1298358616 /nfs/dbraw/zinc/35/86/16/1298358616.db2.gz SHNZJZYIHHHARF-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252441 1298422884 /nfs/dbraw/zinc/42/28/84/1298422884.db2.gz OEBCNLSFENMROB-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604461 1313509011 /nfs/dbraw/zinc/50/90/11/1313509011.db2.gz JUTVKDQYPQTDLE-QYZOEREBSA-N 2 0 327.472 2.659 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961289788 1298502184 /nfs/dbraw/zinc/50/21/84/1298502184.db2.gz CSESZCPOEAEXBT-PMACEKPBSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290206 1298502253 /nfs/dbraw/zinc/50/22/53/1298502253.db2.gz CSESZCPOEAEXBT-VQTJNVASSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292981 1298509607 /nfs/dbraw/zinc/50/96/07/1298509607.db2.gz LLJMWWGZDLAFFF-RTBURBONSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292978 1298510322 /nfs/dbraw/zinc/51/03/22/1298510322.db2.gz LLJMWWGZDLAFFF-MOPGFXCFSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373493 1298639316 /nfs/dbraw/zinc/63/93/16/1298639316.db2.gz HISPBGLWRUHALW-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871442 1313531242 /nfs/dbraw/zinc/53/12/42/1313531242.db2.gz LNKIXWWUHIRTCD-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376763 1298645605 /nfs/dbraw/zinc/64/56/05/1298645605.db2.gz CPHUTOHHBVVGGB-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376407 1298645755 /nfs/dbraw/zinc/64/57/55/1298645755.db2.gz STGQXICLOKJEDI-OALUTQOASA-N 2 0 335.536 2.709 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376802 1298646644 /nfs/dbraw/zinc/64/66/44/1298646644.db2.gz DHGAEYVPDATVNP-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961406994 1298702072 /nfs/dbraw/zinc/70/20/72/1298702072.db2.gz UKCJDJZZYXMSMP-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412636 1298708167 /nfs/dbraw/zinc/70/81/67/1298708167.db2.gz UCPHZSAGVCOZFE-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431284 1298738898 /nfs/dbraw/zinc/73/88/98/1298738898.db2.gz JQNXXCHGKXKEEM-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961435356 1298744118 /nfs/dbraw/zinc/74/41/18/1298744118.db2.gz MIPGKKOHZSBISV-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961435353 1298744669 /nfs/dbraw/zinc/74/46/69/1298744669.db2.gz MIPGKKOHZSBISV-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCc4ccc(C#N)cc4C3)c2)CC1 ZINC001236887848 1313546723 /nfs/dbraw/zinc/54/67/23/1313546723.db2.gz REBLKKPZBANQGW-UHFFFAOYSA-N 2 0 346.478 2.868 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001211307319 1314472513 /nfs/dbraw/zinc/47/25/13/1314472513.db2.gz SXCVMERFRRCVKU-IEBWSBKVSA-N 2 0 347.547 2.594 20 30 EFEDRP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101778 1299546933 /nfs/dbraw/zinc/54/69/33/1299546933.db2.gz SQWLHDSZOOIDGP-LAUBAEHRSA-N 2 0 341.499 2.547 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018026665 1313647857 /nfs/dbraw/zinc/64/78/57/1313647857.db2.gz NGVAPQSIEXVCGM-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207262254 1313647923 /nfs/dbraw/zinc/64/79/23/1313647923.db2.gz GLEKADLKQLZGQH-KZNAEPCWSA-N 2 0 341.515 2.849 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052148 1313660068 /nfs/dbraw/zinc/66/00/68/1313660068.db2.gz MABNWGAIPLNTPH-INDMIFKZSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664392 1300086586 /nfs/dbraw/zinc/08/65/86/1300086586.db2.gz OUBQKTOOORBZPO-KURKYZTESA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(OC)ccc2C)CC1 ZINC001237716338 1313696702 /nfs/dbraw/zinc/69/67/02/1313696702.db2.gz SBHXJLUCVLOKBO-UHFFFAOYSA-N 2 0 343.515 2.795 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482533 1313697232 /nfs/dbraw/zinc/69/72/32/1313697232.db2.gz NCSNIOUULBATJY-UXHICEINSA-N 2 0 336.520 2.792 20 30 EFEDRP C[NH+]1CCC(CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001207485995 1313698094 /nfs/dbraw/zinc/69/80/94/1313698094.db2.gz ALADFHZGHFTJAO-UHFFFAOYSA-N 2 0 330.451 2.551 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315243 1300580353 /nfs/dbraw/zinc/58/03/53/1300580353.db2.gz SBYVUVJSLRISCY-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114520923 1300587645 /nfs/dbraw/zinc/58/76/45/1300587645.db2.gz DJTPBIPYULQRRW-BWTSREIZSA-N 2 0 338.455 2.741 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114521433 1300594822 /nfs/dbraw/zinc/59/48/22/1300594822.db2.gz PXLOJMWNJKDCHE-BWTSREIZSA-N 2 0 340.471 2.965 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207517261 1313705772 /nfs/dbraw/zinc/70/57/72/1313705772.db2.gz BJXIWEZQYMDLBA-UHFFFAOYSA-N 2 0 331.479 2.660 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327501 1300610997 /nfs/dbraw/zinc/61/09/97/1300610997.db2.gz CRBSDPPOWRAHKB-PKOBYXMFSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000963358270 1300680739 /nfs/dbraw/zinc/68/07/39/1300680739.db2.gz QCBHWUQWEMQUOM-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358976 1300682073 /nfs/dbraw/zinc/68/20/73/1300682073.db2.gz ZOFMYQXQMADGCQ-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384996 1300742226 /nfs/dbraw/zinc/74/22/26/1300742226.db2.gz YZGZTIBBPISADT-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000963384998 1300743399 /nfs/dbraw/zinc/74/33/99/1300743399.db2.gz YZGZTIBBPISADT-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000964015360 1301598620 /nfs/dbraw/zinc/59/86/20/1301598620.db2.gz OWCWWASZWVXPCJ-UHFFFAOYSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000964153225 1301678635 /nfs/dbraw/zinc/67/86/35/1301678635.db2.gz NNUCKPKNYCHNKH-UHFFFAOYSA-N 2 0 333.520 2.654 20 30 EFEDRP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063017 1313838220 /nfs/dbraw/zinc/83/82/20/1313838220.db2.gz JEACYJNHQVSIBQ-RBUKOAKNSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208107018 1313848619 /nfs/dbraw/zinc/84/86/19/1313848619.db2.gz IUGYSTVSHYLFAM-HXUWFJFHSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192329 1313866106 /nfs/dbraw/zinc/86/61/06/1313866106.db2.gz ULYKYDMABHFRLE-UYAOXDASSA-N 2 0 336.520 2.935 20 30 EFEDRP CCc1cc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)ccc1C#N ZINC001238772397 1313866865 /nfs/dbraw/zinc/86/68/65/1313866865.db2.gz PFZQFIWSDYZERK-UHFFFAOYSA-N 2 0 340.515 2.580 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114367872 1302876711 /nfs/dbraw/zinc/87/67/11/1302876711.db2.gz AVQVRYHYZAZXGP-ZSYWTGECSA-N 2 0 335.536 2.878 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334074 1313902375 /nfs/dbraw/zinc/90/23/75/1313902375.db2.gz FCTKKRYQHLLCLY-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC000965933261 1303466508 /nfs/dbraw/zinc/46/65/08/1303466508.db2.gz WCZZEFPWEUZBAL-LMBQMVEXSA-N 2 0 339.911 2.630 20 30 EFEDRP CCCCCCC[C@H](C)NC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239215571 1313914447 /nfs/dbraw/zinc/91/44/47/1313914447.db2.gz KXHIKPYGPOQUTI-DLBZAZTESA-N 2 0 338.540 2.909 20 30 EFEDRP CCCCCCCCNC(=O)N(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001239307328 1313923754 /nfs/dbraw/zinc/92/37/54/1313923754.db2.gz AHZDMALYVAGJPO-UHFFFAOYSA-N 2 0 326.529 2.672 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208467779 1313937596 /nfs/dbraw/zinc/93/75/96/1313937596.db2.gz UQMNCAUCNPVSPG-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CC ZINC001037878316 1304064282 /nfs/dbraw/zinc/06/42/82/1304064282.db2.gz XUFNDTMYKCIDGH-YJBOKZPZSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1CC ZINC001037883434 1304166168 /nfs/dbraw/zinc/16/61/68/1304166168.db2.gz BYGXWGXSVPSNBO-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CC[NH+](CC)CC1)CCO2 ZINC001208598594 1313972846 /nfs/dbraw/zinc/97/28/46/1313972846.db2.gz DIMCLOMXZIYFGP-VQTJNVASSA-N 2 0 336.520 2.792 20 30 EFEDRP CC[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001208601987 1313973738 /nfs/dbraw/zinc/97/37/38/1313973738.db2.gz WCLFLGNXCRYOLX-UHFFFAOYSA-N 2 0 330.451 2.551 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC001208604581 1313975597 /nfs/dbraw/zinc/97/55/97/1313975597.db2.gz QVYLYEJUQAWPHH-GOSISDBHSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208719713 1314001661 /nfs/dbraw/zinc/00/16/61/1314001661.db2.gz WIQBFFIDLUQYHK-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037923004 1304761074 /nfs/dbraw/zinc/76/10/74/1304761074.db2.gz DMAHMNBMBNHUQM-JKSUJKDBSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264992 1304776536 /nfs/dbraw/zinc/77/65/36/1304776536.db2.gz RQLLMORHCFPPNX-QAPCUYQASA-N 2 0 326.444 2.741 20 30 EFEDRP N#Cc1cc(-c2cncc([C@H]3C[NH+]4CCC3CC4)n2)cc(C2C[NH2+]C2)c1 ZINC001240346618 1314022785 /nfs/dbraw/zinc/02/27/85/1314022785.db2.gz SUXCCQRYGDDOBM-IBGZPJMESA-N 2 0 345.450 2.511 20 30 EFEDRP N#Cc1cc(-c2ccc(OCC[NH+]3CCCC3)nc2)cc(C2C[NH2+]C2)c1 ZINC001240355472 1314023937 /nfs/dbraw/zinc/02/39/37/1314023937.db2.gz GUYZINUEFBVGAK-UHFFFAOYSA-N 2 0 348.450 2.782 20 30 EFEDRP CC[NH+](CC)CCCN1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853033 1314029939 /nfs/dbraw/zinc/02/99/39/1314029939.db2.gz AHHLITLWJBGMLE-UHFFFAOYSA-N 2 0 342.531 2.840 20 30 EFEDRP C[NH+](C)CCCN(CCCc1cccc(C#N)c1)CCC[NH+](C)C ZINC001208853278 1314030321 /nfs/dbraw/zinc/03/03/21/1314030321.db2.gz GTOZMLINXNEAKJ-UHFFFAOYSA-N 2 0 330.520 2.696 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001037941667 1305090100 /nfs/dbraw/zinc/09/01/00/1305090100.db2.gz QSCTUIANWMFLAJ-MJGOQNOKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001037941668 1305090630 /nfs/dbraw/zinc/09/06/30/1305090630.db2.gz QSCTUIANWMFLAJ-PKOBYXMFSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC001037949287 1305203155 /nfs/dbraw/zinc/20/31/55/1305203155.db2.gz LZBZAXHSVAGPTJ-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)cc1C#N ZINC001276608716 1314072049 /nfs/dbraw/zinc/07/20/49/1314072049.db2.gz TZEGQSOVNAFKPQ-HDICACEKSA-N 2 0 337.471 2.569 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209151059 1314100468 /nfs/dbraw/zinc/10/04/68/1314100468.db2.gz YTXMHIXYVUVLCO-IAGOWNOFSA-N 2 0 332.492 2.799 20 30 EFEDRP C=CCCC[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001209162047 1314103227 /nfs/dbraw/zinc/10/32/27/1314103227.db2.gz QSAVFKKYWOFKNF-UHFFFAOYSA-N 2 0 329.488 2.962 20 30 EFEDRP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001209202779 1314115322 /nfs/dbraw/zinc/11/53/22/1314115322.db2.gz IQHLIDGZZBUYES-QYZOEREBSA-N 2 0 331.508 2.808 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416945 1306286887 /nfs/dbraw/zinc/28/68/87/1306286887.db2.gz BWDPWFTVRSTSMP-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516682 1306423041 /nfs/dbraw/zinc/42/30/41/1306423041.db2.gz DLBXLARVDBLALO-YLJYHZDGSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516679 1306423317 /nfs/dbraw/zinc/42/33/17/1306423317.db2.gz DLBXLARVDBLALO-FXAWDEMLSA-N 2 0 347.547 2.901 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001209264075 1314128165 /nfs/dbraw/zinc/12/81/65/1314128165.db2.gz VGMKIGHSJYQSSA-QGZVFWFLSA-N 2 0 347.528 2.859 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209264287 1314128450 /nfs/dbraw/zinc/12/84/50/1314128450.db2.gz ZPYKUTXBXHIHKH-IBGZPJMESA-N 2 0 327.472 2.550 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673210 1306556195 /nfs/dbraw/zinc/55/61/95/1306556195.db2.gz JBIRCOYYJODGHV-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690896 1306571404 /nfs/dbraw/zinc/57/14/04/1306571404.db2.gz BKGDHHLZWVREMA-RDJZCZTQSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001044661069 1306698029 /nfs/dbraw/zinc/69/80/29/1306698029.db2.gz VNIMYQWVZOIHJQ-HOCLYGCPSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856093 1306726317 /nfs/dbraw/zinc/72/63/17/1306726317.db2.gz DSHFBBNKHKNHMA-MOPGFXCFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC000968887533 1306760894 /nfs/dbraw/zinc/76/08/94/1306760894.db2.gz HFRPOQLPCUKHOY-IAGOWNOFSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044745274 1306767632 /nfs/dbraw/zinc/76/76/32/1306767632.db2.gz STHOHMBPJWLNRE-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914238 1306788903 /nfs/dbraw/zinc/78/89/03/1306788903.db2.gz PWQBAUAVRKDHPA-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001044861227 1306871442 /nfs/dbraw/zinc/87/14/42/1306871442.db2.gz AQOXICJKFIVCDZ-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969001999 1306877458 /nfs/dbraw/zinc/87/74/58/1306877458.db2.gz IEMJJOWHGIROJT-WOJBJXKFSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001044880414 1306893168 /nfs/dbraw/zinc/89/31/68/1306893168.db2.gz XPLYJYHBVDKTKA-CVEARBPZSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515956 1314178280 /nfs/dbraw/zinc/17/82/80/1314178280.db2.gz NIEFCEDQDBBJMN-UHFFFAOYSA-N 2 0 338.499 2.960 20 30 EFEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441635 1307341820 /nfs/dbraw/zinc/34/18/20/1307341820.db2.gz IHTPMNCODTXQBZ-GOSISDBHSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045461242 1307356357 /nfs/dbraw/zinc/35/63/57/1307356357.db2.gz UDIICEPOSWQBFD-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001045490569 1307377403 /nfs/dbraw/zinc/37/74/03/1307377403.db2.gz RHBJFDALDSQGKJ-UHFFFAOYSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345497 1307381137 /nfs/dbraw/zinc/38/11/37/1307381137.db2.gz RHLAACIBGDFQMS-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345495 1307381334 /nfs/dbraw/zinc/38/13/34/1307381334.db2.gz RHLAACIBGDFQMS-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045557051 1307427630 /nfs/dbraw/zinc/42/76/30/1307427630.db2.gz SAWJLHNJNSGGMW-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045589085 1307450715 /nfs/dbraw/zinc/45/07/15/1307450715.db2.gz ICDKMNFBCAKAGL-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045616287 1307475484 /nfs/dbraw/zinc/47/54/84/1307475484.db2.gz WRMNGTXGDWFKJS-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045646334 1307498133 /nfs/dbraw/zinc/49/81/33/1307498133.db2.gz GUKXVXBWSFISHC-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651583 1314210400 /nfs/dbraw/zinc/21/04/00/1314210400.db2.gz UCVPYPFFFMMRPU-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651176 1314210720 /nfs/dbraw/zinc/21/07/20/1314210720.db2.gz NNLIIWCTTUOOSC-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941065 1307949157 /nfs/dbraw/zinc/94/91/57/1307949157.db2.gz FMKBUASALYTYHO-PZJWPPBQSA-N 2 0 345.531 2.609 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045942467 1307953413 /nfs/dbraw/zinc/95/34/13/1307953413.db2.gz YBKAMRIFOSZTKM-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001045942445 1307953694 /nfs/dbraw/zinc/95/36/94/1307953694.db2.gz XPVSFPCBQHZTDL-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943239 1307956207 /nfs/dbraw/zinc/95/62/07/1307956207.db2.gz HDAIRENTWJUSAK-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945727 1307965400 /nfs/dbraw/zinc/96/54/00/1307965400.db2.gz YEOALKYVRNNVIY-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950990 1307980827 /nfs/dbraw/zinc/98/08/27/1307980827.db2.gz QRBZHHRWCMTMEY-LJQANCHMSA-N 2 0 331.504 2.505 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958662 1307999810 /nfs/dbraw/zinc/99/98/10/1307999810.db2.gz VTBNHQLZPNVCKO-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960442 1308005697 /nfs/dbraw/zinc/00/56/97/1308005697.db2.gz JXPHGVPGJIGZPJ-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960441 1308006637 /nfs/dbraw/zinc/00/66/37/1308006637.db2.gz JXPHGVPGJIGZPJ-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045971019 1308036612 /nfs/dbraw/zinc/03/66/12/1308036612.db2.gz LBVHKXSHWVIUJK-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045973850 1308044164 /nfs/dbraw/zinc/04/41/64/1308044164.db2.gz VZPLZPAEMFHEKM-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982119 1308074558 /nfs/dbraw/zinc/07/45/58/1308074558.db2.gz OFLUXYVCKLQZCY-IBGZPJMESA-N 2 0 330.476 2.541 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045985952 1308085522 /nfs/dbraw/zinc/08/55/22/1308085522.db2.gz FLZTYJRTIOEKAC-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986433 1308086737 /nfs/dbraw/zinc/08/67/37/1308086737.db2.gz QPVFMGMHEZWJHE-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001045986539 1308088522 /nfs/dbraw/zinc/08/85/22/1308088522.db2.gz TXPRVDAGQOUYDE-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008510441 1308125133 /nfs/dbraw/zinc/12/51/33/1308125133.db2.gz PXKAXBZRFSVHQQ-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008882929 1308311323 /nfs/dbraw/zinc/31/13/23/1308311323.db2.gz POXICXXJXURXBB-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009687272 1308608041 /nfs/dbraw/zinc/60/80/41/1308608041.db2.gz ZOIVPKJVMJUFAM-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101491 1308737807 /nfs/dbraw/zinc/73/78/07/1308737807.db2.gz XYVZGWOXDFCWLZ-YRXWBPOGSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052703211 1314311434 /nfs/dbraw/zinc/31/14/34/1314311434.db2.gz RGVXPKIVMJUJFF-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708436 1314314301 /nfs/dbraw/zinc/31/43/01/1314314301.db2.gz ACEAJOZJROGSLM-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864426 1309561344 /nfs/dbraw/zinc/56/13/44/1309561344.db2.gz SOXLFUIYZVRROA-IBGZPJMESA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046934284 1309711419 /nfs/dbraw/zinc/71/14/19/1309711419.db2.gz AAPKGUNOCGKUCY-HZPDHXFCSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001046946117 1309736379 /nfs/dbraw/zinc/73/63/79/1309736379.db2.gz SJXMXEYACUNNJB-JKSUJKDBSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953911 1309757005 /nfs/dbraw/zinc/75/70/05/1309757005.db2.gz MEHTXAORONBLBO-OAHLLOKOSA-N 2 0 348.397 2.597 20 30 EFEDRP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046957939 1309768985 /nfs/dbraw/zinc/76/89/85/1309768985.db2.gz UJXDMTWIFQUCOY-OAHLLOKOSA-N 2 0 348.397 2.597 20 30 EFEDRP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001046977831 1309826226 /nfs/dbraw/zinc/82/62/26/1309826226.db2.gz MRVFJKGZQQLLIK-CVEARBPZSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CCc1cccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c1O ZINC001276684950 1314339729 /nfs/dbraw/zinc/33/97/29/1314339729.db2.gz QQRTWDCMHPMEMO-UHFFFAOYSA-N 2 0 343.515 2.580 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763681 1314357780 /nfs/dbraw/zinc/35/77/80/1314357780.db2.gz IXAAPHUBHRUURV-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690465 1314373612 /nfs/dbraw/zinc/37/36/12/1314373612.db2.gz LSJIIJRBCMNVOQ-HZPDHXFCSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231012 1310365238 /nfs/dbraw/zinc/36/52/38/1310365238.db2.gz JJSRKMDHTPQTQQ-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231811 1310369292 /nfs/dbraw/zinc/36/92/92/1310369292.db2.gz QDLTWGSVLLXLGU-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047242875 1310396095 /nfs/dbraw/zinc/39/60/95/1310396095.db2.gz GYXDGZNUBSDDDZ-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245144 1310402503 /nfs/dbraw/zinc/40/25/03/1310402503.db2.gz XTSOWSCFQUZRJM-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001047252283 1310420799 /nfs/dbraw/zinc/42/07/99/1310420799.db2.gz AVDMYPWHDDFZNW-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257016 1310432195 /nfs/dbraw/zinc/43/21/95/1310432195.db2.gz OLXSOUWOQMJTMN-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257638 1310433222 /nfs/dbraw/zinc/43/32/22/1310433222.db2.gz SMKRDJNBHOMFGH-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257636 1310433437 /nfs/dbraw/zinc/43/34/37/1310433437.db2.gz SMKRDJNBHOMFGH-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047264850 1310456139 /nfs/dbraw/zinc/45/61/39/1310456139.db2.gz VEBOUNGFZOKLGV-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669314 1311010432 /nfs/dbraw/zinc/01/04/32/1311010432.db2.gz GKSDDYCQFKYZJC-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712816 1311017356 /nfs/dbraw/zinc/01/73/56/1311017356.db2.gz PGHWIHGTPLPVHN-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730438 1311020612 /nfs/dbraw/zinc/02/06/12/1311020612.db2.gz HSGIEJKKAMUSIX-KZNAEPCWSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221786906 1311032201 /nfs/dbraw/zinc/03/22/01/1311032201.db2.gz FCIYCRJNFJOGQG-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877646 1311046497 /nfs/dbraw/zinc/04/64/97/1311046497.db2.gz BOSBSWRCLPDWSR-GUDVDZBRSA-N 2 0 335.536 2.852 20 30 EFEDRP C(#Cc1ccccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001222099812 1311084959 /nfs/dbraw/zinc/08/49/59/1311084959.db2.gz LUJKCOKKQGBFCO-UHFFFAOYSA-N 2 0 345.490 2.614 20 30 EFEDRP C=CCN(CC[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1)C(=O)OCC ZINC001222160599 1311093325 /nfs/dbraw/zinc/09/33/25/1311093325.db2.gz GPJGVZITLCKUGB-LJQANCHMSA-N 2 0 337.508 2.877 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547255 1311100995 /nfs/dbraw/zinc/10/09/95/1311100995.db2.gz BRHJOHSPLZXARO-NMLBUPMWSA-N 2 0 347.547 2.853 20 30 EFEDRP C(#Cc1ccccc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001222507307 1311144309 /nfs/dbraw/zinc/14/43/09/1311144309.db2.gz QUXYAFPVSAPLKO-GOTSBHOMSA-N 2 0 345.490 2.612 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222788906 1311184356 /nfs/dbraw/zinc/18/43/56/1311184356.db2.gz DPANYSQSPNTQPS-SQNIBIBYSA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222921051 1311199123 /nfs/dbraw/zinc/19/91/23/1311199123.db2.gz CEDANSIWPLNAAZ-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200531 1311228912 /nfs/dbraw/zinc/22/89/12/1311228912.db2.gz MSLGJOVEAVPCKB-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001223202510 1311229673 /nfs/dbraw/zinc/22/96/73/1311229673.db2.gz FOPXODKSGLHQFG-HXUWFJFHSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001101427455 1311241102 /nfs/dbraw/zinc/24/11/02/1311241102.db2.gz AWHKXOJOXOEUIO-QUCCMNQESA-N 2 0 335.536 2.855 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461530 1311244294 /nfs/dbraw/zinc/24/42/94/1311244294.db2.gz HEJUTDAOMQCSPI-QUCCMNQESA-N 2 0 335.536 2.833 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001223373921 1311252080 /nfs/dbraw/zinc/25/20/80/1311252080.db2.gz GLTVMGKGDLGNOC-SJLPKXTDSA-N 2 0 341.515 2.849 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001223450343 1311262498 /nfs/dbraw/zinc/26/24/98/1311262498.db2.gz VVVCFLYPSRPFOM-LJQANCHMSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC001223464719 1311263617 /nfs/dbraw/zinc/26/36/17/1311263617.db2.gz ASDLPXGRJJSCKA-SJLPKXTDSA-N 2 0 344.503 2.943 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472688 1311264978 /nfs/dbraw/zinc/26/49/78/1311264978.db2.gz SJRTYOXBYXNPEC-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976158 1311271429 /nfs/dbraw/zinc/27/14/29/1311271429.db2.gz LVMILRQFQLBQHQ-MISYRCLQSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001223578523 1311277900 /nfs/dbraw/zinc/27/79/00/1311277900.db2.gz YQBSPLLIKOVRTN-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078628 1311278447 /nfs/dbraw/zinc/27/84/47/1311278447.db2.gz BHNYMDWABBIZIX-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001223912756 1311320240 /nfs/dbraw/zinc/32/02/40/1311320240.db2.gz ZOOVSYBFEWMNRZ-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911134 1311320561 /nfs/dbraw/zinc/32/05/61/1311320561.db2.gz AHKVCGZNTFFZKZ-MOPGFXCFSA-N 2 0 347.547 2.975 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223928757 1311322712 /nfs/dbraw/zinc/32/27/12/1311322712.db2.gz KOMLDTIYZXLCJV-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929520 1311322846 /nfs/dbraw/zinc/32/28/46/1311322846.db2.gz ZFARGANRLSXNPA-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224130583 1311346383 /nfs/dbraw/zinc/34/63/83/1311346383.db2.gz RCVZVQNERYRZJP-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001224253193 1311366724 /nfs/dbraw/zinc/36/67/24/1311366724.db2.gz HSKLVKAVQQLIAX-UHFFFAOYSA-N 2 0 333.476 2.749 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224290111 1311371338 /nfs/dbraw/zinc/37/13/38/1311371338.db2.gz ZUCXFASSEYSWQI-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP CCCCCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546927 1311405300 /nfs/dbraw/zinc/40/53/00/1311405300.db2.gz SVSJNUXVAGRIJP-HKUYNNGSSA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001224560764 1311407425 /nfs/dbraw/zinc/40/74/25/1311407425.db2.gz WXVCOXOKCBYEHE-LJQANCHMSA-N 2 0 339.499 2.603 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001224797283 1311436527 /nfs/dbraw/zinc/43/65/27/1311436527.db2.gz WRJKGCVJJFJPOY-CVEARBPZSA-N 2 0 332.492 2.771 20 30 EFEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225143151 1311481864 /nfs/dbraw/zinc/48/18/64/1311481864.db2.gz UOLWKOIECBDEIC-HXUWFJFHSA-N 2 0 341.499 2.531 20 30 EFEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225143150 1311482022 /nfs/dbraw/zinc/48/20/22/1311482022.db2.gz UOLWKOIECBDEIC-FQEVSTJZSA-N 2 0 341.499 2.531 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001225173946 1311486250 /nfs/dbraw/zinc/48/62/50/1311486250.db2.gz BJPFLJIHMRGSTE-UHFFFAOYSA-N 2 0 330.476 2.556 20 30 EFEDRP C[NH+]1CCN(c2ccc(Nc3cccc4c3CC[NH2+]C4)cc2C#N)CC1 ZINC001159528969 1311533655 /nfs/dbraw/zinc/53/36/55/1311533655.db2.gz ULYSEDVPFMJSEN-UHFFFAOYSA-N 2 0 347.466 2.699 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160120019 1311647589 /nfs/dbraw/zinc/64/75/89/1311647589.db2.gz KBVDXUFVEBFEKJ-IBGZPJMESA-N 2 0 333.520 2.964 20 30 EFEDRP N#Cc1cc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)cc(C2C[NH2+]C2)c1 ZINC001160167555 1311658617 /nfs/dbraw/zinc/65/86/17/1311658617.db2.gz RWWRUXPEVMNRPT-GOSISDBHSA-N 2 0 334.423 2.729 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160291201 1311681409 /nfs/dbraw/zinc/68/14/09/1311681409.db2.gz GAAZOUBARGDRLC-GOSISDBHSA-N 2 0 339.499 2.771 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160292438 1311682475 /nfs/dbraw/zinc/68/24/75/1311682475.db2.gz NNSZXBALCRIXRB-SFHVURJKSA-N 2 0 339.499 2.771 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160352734 1311696172 /nfs/dbraw/zinc/69/61/72/1311696172.db2.gz KLUOILXPMSIDNS-IBGZPJMESA-N 2 0 333.520 2.679 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360403 1311697421 /nfs/dbraw/zinc/69/74/21/1311697421.db2.gz QMIKORVAWTUDMW-APWZRJJASA-N 2 0 333.520 2.820 20 30 EFEDRP C=CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277152308 1311716336 /nfs/dbraw/zinc/71/63/36/1311716336.db2.gz LMENENXUIHDANP-YLJYHZDGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466070 1311716409 /nfs/dbraw/zinc/71/64/09/1311716409.db2.gz AHXCISOIPXHZSL-OALUTQOASA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467251 1311716995 /nfs/dbraw/zinc/71/69/95/1311716995.db2.gz PUBVTIPQGVFYIO-RTBURBONSA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499774 1311722744 /nfs/dbraw/zinc/72/27/44/1311722744.db2.gz ICMVVAQXJXVLCD-PKOBYXMFSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592817 1311742859 /nfs/dbraw/zinc/74/28/59/1311742859.db2.gz FFAXQEGCDIZYGU-UHFFFAOYSA-N 2 0 331.504 2.719 20 30 EFEDRP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160660639 1311753761 /nfs/dbraw/zinc/75/37/61/1311753761.db2.gz PALOKEIESVZTQQ-INIZCTEOSA-N 2 0 349.482 2.590 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001227216257 1311777584 /nfs/dbraw/zinc/77/75/84/1311777584.db2.gz DUVWSTJSUMFGKM-QZTJIDSGSA-N 2 0 333.520 2.680 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787198 1311781673 /nfs/dbraw/zinc/78/16/73/1311781673.db2.gz KEWFIHYCZKMKMA-IBGZPJMESA-N 2 0 331.504 2.575 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804198 1311785105 /nfs/dbraw/zinc/78/51/05/1311785105.db2.gz DYJORJHSFIAWFK-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001160952966 1311819979 /nfs/dbraw/zinc/81/99/79/1311819979.db2.gz KUDPXWUVTKFUGK-AWEZNQCLSA-N 2 0 335.883 2.659 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101611 1311856769 /nfs/dbraw/zinc/85/67/69/1311856769.db2.gz GSTDWIGMDDZACP-KRWDZBQOSA-N 2 0 333.520 2.821 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3CCCC[NH+]3C1)C2 ZINC001048525174 1311861361 /nfs/dbraw/zinc/86/13/61/1311861361.db2.gz NYNGTUIXYXCSMN-SWBPCFCJSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048532247 1311870658 /nfs/dbraw/zinc/87/06/58/1311870658.db2.gz WYJWAQAPIIIGRG-AKHDSKFASA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382862 1311874219 /nfs/dbraw/zinc/87/42/19/1311874219.db2.gz BWAHWAPWRMFBPC-GOSISDBHSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390139 1311875934 /nfs/dbraw/zinc/87/59/34/1311875934.db2.gz BFKHPLVJZCFVGO-UHFFFAOYSA-N 2 0 333.520 2.823 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048537452 1311876969 /nfs/dbraw/zinc/87/69/69/1311876969.db2.gz BJVOIFOKUCTUNX-OBKDMQGPSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048541090 1311882284 /nfs/dbraw/zinc/88/22/84/1311882284.db2.gz XUCHBWRRMNHBEI-YYIAUSFCSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048541088 1311882353 /nfs/dbraw/zinc/88/23/53/1311882353.db2.gz XUCHBWRRMNHBEI-YVSFHVDLSA-N 2 0 339.911 2.582 20 30 EFEDRP C#CCCCCCCCCC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444872 1311891019 /nfs/dbraw/zinc/89/10/19/1311891019.db2.gz LHBLLEFFGJOGEG-LJQANCHMSA-N 2 0 335.536 2.883 20 30 EFEDRP C=C(C)Cc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161449874 1311892385 /nfs/dbraw/zinc/89/23/85/1311892385.db2.gz UTYZAWCTQFJHOS-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048561787 1311907204 /nfs/dbraw/zinc/90/72/04/1311907204.db2.gz FKVXMQHQIJDNMV-UJWQCDCRSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001228156221 1311908588 /nfs/dbraw/zinc/90/85/88/1311908588.db2.gz GRURICFUXVPVHQ-UHFFFAOYSA-N 2 0 333.520 2.942 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]3CCC[NH+]31)C2 ZINC001048574179 1311922274 /nfs/dbraw/zinc/92/22/74/1311922274.db2.gz RPZWCBLTWDWTFW-OBKDMQGPSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161674572 1311947860 /nfs/dbraw/zinc/94/78/60/1311947860.db2.gz NIVXPVUCHHPUCW-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161693696 1311952665 /nfs/dbraw/zinc/95/26/65/1311952665.db2.gz BZVUEPLAKGVMOH-UHFFFAOYSA-N 2 0 345.531 2.823 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899101 1311998016 /nfs/dbraw/zinc/99/80/16/1311998016.db2.gz JSSVVYZMZXAMRO-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001229127025 1312050739 /nfs/dbraw/zinc/05/07/39/1312050739.db2.gz QQHBZBBYIRDREB-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001229193277 1312060039 /nfs/dbraw/zinc/06/00/39/1312060039.db2.gz IOUINXGIYSPTBA-IBGZPJMESA-N 2 0 339.499 2.746 20 30 EFEDRP Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(C#C[Si](C)(C)C)c1 ZINC001162292404 1312082703 /nfs/dbraw/zinc/08/27/03/1312082703.db2.gz NYHKQGNWHBBBSP-UHFFFAOYSA-N 2 0 332.568 2.749 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001229632588 1312121625 /nfs/dbraw/zinc/12/16/25/1312121625.db2.gz DYKABUYNUKDUOX-SFHLNBCPSA-N 2 0 341.499 2.504 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001229632986 1312121704 /nfs/dbraw/zinc/12/17/04/1312121704.db2.gz OQGFZXZLXMKFOP-SFHLNBCPSA-N 2 0 341.499 2.504 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001162810965 1312180884 /nfs/dbraw/zinc/18/08/84/1312180884.db2.gz UKDFEUNIFSYEEA-VQTJNVASSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001162836819 1312187154 /nfs/dbraw/zinc/18/71/54/1312187154.db2.gz RPOBIRPPMZFKLW-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001162906776 1312200789 /nfs/dbraw/zinc/20/07/89/1312200789.db2.gz QWRROMZMBBPERZ-ICSRJNTNSA-N 2 0 343.515 2.564 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](CC)CC ZINC001162929445 1312206049 /nfs/dbraw/zinc/20/60/49/1312206049.db2.gz XWTATIKMWYCDCC-FQEVSTJZSA-N 2 0 345.531 2.954 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001230286234 1312215782 /nfs/dbraw/zinc/21/57/82/1312215782.db2.gz GQKWJAAWZHTKCS-QRVBRYPASA-N 2 0 333.520 2.537 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162986892 1312219684 /nfs/dbraw/zinc/21/96/84/1312219684.db2.gz COISILHRTGJAMN-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001230333282 1312223781 /nfs/dbraw/zinc/22/37/81/1312223781.db2.gz XEKWHAORLZFIPX-QZTJIDSGSA-N 2 0 345.487 2.775 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006936 1312224694 /nfs/dbraw/zinc/22/46/94/1312224694.db2.gz LRJWIFADEISJDR-UHFFFAOYSA-N 2 0 345.531 2.954 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081927 1312237190 /nfs/dbraw/zinc/23/71/90/1312237190.db2.gz NXFYWGOPUXELMD-MOPGFXCFSA-N 2 0 327.472 2.800 20 30 EFEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910889 1312249998 /nfs/dbraw/zinc/24/99/98/1312249998.db2.gz NPHWDBRVJQNLFK-CALCHBBNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911014 1312250753 /nfs/dbraw/zinc/25/07/53/1312250753.db2.gz REKCLQAIKHMIFU-CALCHBBNSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611747 1312283237 /nfs/dbraw/zinc/28/32/37/1312283237.db2.gz ZHWVXDOHOJINJG-WOJBJXKFSA-N 2 0 347.547 2.689 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612814 1312283944 /nfs/dbraw/zinc/28/39/44/1312283944.db2.gz GDMKJQJRWWSNSZ-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612884 1312284178 /nfs/dbraw/zinc/28/41/78/1312284178.db2.gz HQLBFPLSOLTUSE-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230621886 1312287284 /nfs/dbraw/zinc/28/72/84/1312287284.db2.gz IFSWUPIBOCDJRV-HXUWFJFHSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230622190 1312287535 /nfs/dbraw/zinc/28/75/35/1312287535.db2.gz KMUYGBKTGOWIDP-FQEVSTJZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001230623407 1312288753 /nfs/dbraw/zinc/28/87/53/1312288753.db2.gz XFMJKSWKVCGBSU-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230841725 1312366770 /nfs/dbraw/zinc/36/67/70/1312366770.db2.gz VSIZGZIPUVODHH-LJQANCHMSA-N 2 0 346.519 2.552 20 30 EFEDRP C=CCCC[N@@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871746 1312375601 /nfs/dbraw/zinc/37/56/01/1312375601.db2.gz QAHZBRPDWJDVQT-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=C(C)C[N@@H+](CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230906819 1312387603 /nfs/dbraw/zinc/38/76/03/1312387603.db2.gz VRRGXCSUWCWCEG-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=CCCC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)Cc1cccnc1 ZINC001230932193 1312395680 /nfs/dbraw/zinc/39/56/80/1312395680.db2.gz OWBBBBBBCHDYMC-UHFFFAOYSA-N 2 0 346.519 2.696 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531468 1312534353 /nfs/dbraw/zinc/53/43/53/1312534353.db2.gz JQJULHPJDOQNSI-ZWKOTPCHSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164536819 1312535872 /nfs/dbraw/zinc/53/58/72/1312535872.db2.gz QXOVPVBQZNCTFX-KRWDZBQOSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554819 1312538234 /nfs/dbraw/zinc/53/82/34/1312538234.db2.gz HRXYUYPPRJGHBG-WMZOPIPTSA-N 2 0 333.520 2.559 20 30 EFEDRP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231822088 1312571270 /nfs/dbraw/zinc/57/12/70/1312571270.db2.gz VBQLBFJYEAEXET-OALUTQOASA-N 2 0 326.488 2.810 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165314063 1312607370 /nfs/dbraw/zinc/60/73/70/1312607370.db2.gz FECCWVVSJRBVTN-MRXNPFEDSA-N 2 0 327.488 2.509 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH2+]CC1 ZINC001245976521 1314557849 /nfs/dbraw/zinc/55/78/49/1314557849.db2.gz UNQMNEAEVVVLJP-OALUTQOASA-N 2 0 327.557 2.761 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001245976768 1314558637 /nfs/dbraw/zinc/55/86/37/1314558637.db2.gz FNFUMFWFIIMTCP-QYZOEREBSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001245976764 1314558668 /nfs/dbraw/zinc/55/86/68/1314558668.db2.gz FNFUMFWFIIMTCP-FHWLQOOXSA-N 2 0 326.525 2.989 20 30 EFEDRP C=CCCCCCC[C@H](O)C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246046419 1314573372 /nfs/dbraw/zinc/57/33/72/1314573372.db2.gz QBDMVQFFZCZVPO-IBGZPJMESA-N 2 0 326.525 2.964 20 30 EFEDRP CCCCCCCC[C@@H](O)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246061137 1314577535 /nfs/dbraw/zinc/57/75/35/1314577535.db2.gz WYHZQOMJQNMRMG-RTBURBONSA-N 2 0 327.557 2.714 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC001246527141 1314641999 /nfs/dbraw/zinc/64/19/99/1314641999.db2.gz SJMVDCRGZWWMSX-SJORKVTESA-N 2 0 335.492 2.628 20 30 EFEDRP N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@](O)(C[NH3+])CC3)CC2)cc1 ZINC001246540406 1314644609 /nfs/dbraw/zinc/64/46/09/1314644609.db2.gz DVVRWEXYYMGVHL-MHJFOBGBSA-N 2 0 327.472 2.760 20 30 EFEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246542445 1314644657 /nfs/dbraw/zinc/64/46/57/1314644657.db2.gz KQJIVJPSIRXDKW-MHJFOBGBSA-N 2 0 327.472 2.566 20 30 EFEDRP N#Cc1ccc(C2CCC([N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246620250 1314658260 /nfs/dbraw/zinc/65/82/60/1314658260.db2.gz XFCHSWYBLOVNKC-JSRAGOMMSA-N 2 0 338.499 2.610 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087928 1314695072 /nfs/dbraw/zinc/69/50/72/1314695072.db2.gz PBZVUPUXRGIBLH-AZUAARDMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088427 1314695860 /nfs/dbraw/zinc/69/58/60/1314695860.db2.gz VCDTVPTVAYJBGB-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096443 1314708843 /nfs/dbraw/zinc/70/88/43/1314708843.db2.gz UCLJREHLIOYTNI-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053098954 1314713603 /nfs/dbraw/zinc/71/36/03/1314713603.db2.gz RILRMXBAXYXARF-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099216 1314714298 /nfs/dbraw/zinc/71/42/98/1314714298.db2.gz BIIJHRWSEXGLJC-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001247008622 1314730207 /nfs/dbraw/zinc/73/02/07/1314730207.db2.gz YOBPZBALHHDGLC-INIZCTEOSA-N 2 0 335.492 2.675 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001214754788 1314735449 /nfs/dbraw/zinc/73/54/49/1314735449.db2.gz HKFSQRKIBZDOGF-GDBMZVCRSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948040 1314761791 /nfs/dbraw/zinc/76/17/91/1314761791.db2.gz JEPJBLCULYKKCO-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001215227152 1314802320 /nfs/dbraw/zinc/80/23/20/1314802320.db2.gz ZUKLCZMELRXKQU-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551238 1314850459 /nfs/dbraw/zinc/85/04/59/1314850459.db2.gz OLWKSFMMCDGHJV-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215929191 1314892405 /nfs/dbraw/zinc/89/24/05/1314892405.db2.gz AURVYAWHQFNOPP-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001216953979 1315026068 /nfs/dbraw/zinc/02/60/68/1315026068.db2.gz LWFXEJMEJJAQQF-NVXWUHKLSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038624002 1315048508 /nfs/dbraw/zinc/04/85/08/1315048508.db2.gz RQCNPGVIHJFYGN-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218994954 1315269904 /nfs/dbraw/zinc/26/99/04/1315269904.db2.gz BJOUERHQNCZHCP-MOPGFXCFSA-N 2 0 348.450 2.534 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054135106 1315346621 /nfs/dbraw/zinc/34/66/21/1315346621.db2.gz VFIAJWLVWXUOMW-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054144586 1315362815 /nfs/dbraw/zinc/36/28/15/1315362815.db2.gz AAIFWAWEBGYUCZ-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153609 1315378257 /nfs/dbraw/zinc/37/82/57/1315378257.db2.gz UYJCSERSVNWSCS-FUHWJXTLSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159160 1315386928 /nfs/dbraw/zinc/38/69/28/1315386928.db2.gz TUHUFAVYGPLLJX-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159142 1315387129 /nfs/dbraw/zinc/38/71/29/1315387129.db2.gz SZSNKPNVPVRNSR-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159137 1315387335 /nfs/dbraw/zinc/38/73/35/1315387335.db2.gz SZSNKPNVPVRNSR-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174403 1315410306 /nfs/dbraw/zinc/41/03/06/1315410306.db2.gz OMCPUQGXBSFLOK-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191840 1315433377 /nfs/dbraw/zinc/43/33/77/1315433377.db2.gz NERDZRCXLKHZGS-UYAOXDASSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001252460525 1315451969 /nfs/dbraw/zinc/45/19/69/1315451969.db2.gz CPCNZBKGKKOOPE-HKUYNNGSSA-N 2 0 348.487 2.520 20 30 EFEDRP C=CCOC[C@@H](O)C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001252466190 1315453138 /nfs/dbraw/zinc/45/31/38/1315453138.db2.gz NJIFXVNYSOLVFL-FIRPJDEBSA-N 2 0 344.499 2.660 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209786 1315461108 /nfs/dbraw/zinc/46/11/08/1315461108.db2.gz XSVZMCKNVULOTM-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209781 1315461949 /nfs/dbraw/zinc/46/19/49/1315461949.db2.gz XQWISWGEXZPNQK-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209783 1315462074 /nfs/dbraw/zinc/46/20/74/1315462074.db2.gz XQWISWGEXZPNQK-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001054214049 1315468468 /nfs/dbraw/zinc/46/84/68/1315468468.db2.gz PVACMLMBNVSUOS-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219696 1315476311 /nfs/dbraw/zinc/47/63/11/1315476311.db2.gz SUHMCIXHKFPHCX-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223447 1315481109 /nfs/dbraw/zinc/48/11/09/1315481109.db2.gz VGLQARLQOPLCRP-NRFANRHFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001039131695 1315513250 /nfs/dbraw/zinc/51/32/50/1315513250.db2.gz SGTWRFIDKKAXHD-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244842 1315514929 /nfs/dbraw/zinc/51/49/29/1315514929.db2.gz JSUPHUMABIYJCV-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244505 1315515473 /nfs/dbraw/zinc/51/54/73/1315515473.db2.gz FYEDBZRJZRSBAP-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245080 1315516018 /nfs/dbraw/zinc/51/60/18/1315516018.db2.gz OLXSBASZNPZJQA-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245081 1315516165 /nfs/dbraw/zinc/51/61/65/1315516165.db2.gz OLXSBASZNPZJQA-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001039136403 1315521759 /nfs/dbraw/zinc/52/17/59/1315521759.db2.gz JOUXJMZUDLUXAG-UXHICEINSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001039137159 1315523669 /nfs/dbraw/zinc/52/36/69/1315523669.db2.gz LQFWDKNKOBEIJS-SFHVURJKSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039137200 1315523916 /nfs/dbraw/zinc/52/39/16/1315523916.db2.gz QSYCFFZARWPCJR-DLBZAZTESA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139554 1315526975 /nfs/dbraw/zinc/52/69/75/1315526975.db2.gz JAZFJHWHHIGDCZ-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139556 1315527034 /nfs/dbraw/zinc/52/70/34/1315527034.db2.gz JAZFJHWHHIGDCZ-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139549 1315527523 /nfs/dbraw/zinc/52/75/23/1315527523.db2.gz JAVPKMSANQGYMR-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139552 1315527685 /nfs/dbraw/zinc/52/76/85/1315527685.db2.gz JAVPKMSANQGYMR-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141011 1315530904 /nfs/dbraw/zinc/53/09/04/1315530904.db2.gz NAZAIVWWFGGHIH-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP Cc1ccc(C(=[NH2+])NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001252951557 1315541723 /nfs/dbraw/zinc/54/17/23/1315541723.db2.gz STXVWEZVOBOBAL-OAQYLSRUSA-N 2 0 337.467 2.646 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ncc[nH]3)[C@@H]2C1 ZINC001221510697 1315541989 /nfs/dbraw/zinc/54/19/89/1315541989.db2.gz CJUUHPVUPWIFHA-IAGOWNOFSA-N 2 0 332.492 2.845 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001039151992 1315545889 /nfs/dbraw/zinc/54/58/89/1315545889.db2.gz QIIBUHINFUFSCD-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153120 1315548055 /nfs/dbraw/zinc/54/80/55/1315548055.db2.gz PMYADNBHJGWCDK-IHPCNDPISA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167196 1315568719 /nfs/dbraw/zinc/56/87/19/1315568719.db2.gz ODGZQUJYGWSNQA-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC001039167664 1315569276 /nfs/dbraw/zinc/56/92/76/1315569276.db2.gz ZTBLHFXOVRTBEG-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001221643225 1315569785 /nfs/dbraw/zinc/56/97/85/1315569785.db2.gz VUVYDPQARSXLBR-IPMKNSEASA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173942 1315578715 /nfs/dbraw/zinc/57/87/15/1315578715.db2.gz IWIXQGCYPJDKRM-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001253238290 1315583612 /nfs/dbraw/zinc/58/36/12/1315583612.db2.gz CCOBBHMRSRLHOR-GOSISDBHSA-N 2 0 342.524 2.691 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001039181999 1315588918 /nfs/dbraw/zinc/58/89/18/1315588918.db2.gz GXBNUNQSFBESGC-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cnccc2OC)C1 ZINC001039216971 1315635470 /nfs/dbraw/zinc/63/54/70/1315635470.db2.gz BLFMZADKVIGQRX-AEFFLSMTSA-N 2 0 343.471 2.522 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224092 1315644235 /nfs/dbraw/zinc/64/42/35/1315644235.db2.gz CQDTWGBGLASYFZ-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234158 1315657160 /nfs/dbraw/zinc/65/71/60/1315657160.db2.gz PRCWGAXSIYMTPM-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233682 1315657286 /nfs/dbraw/zinc/65/72/86/1315657286.db2.gz DIBUPIMCERLTDX-ROUUACIJSA-N 2 0 344.503 2.896 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233891 1315657368 /nfs/dbraw/zinc/65/73/68/1315657368.db2.gz FUQNMWUTYAZKPN-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039233889 1315657693 /nfs/dbraw/zinc/65/76/93/1315657693.db2.gz FUQNMWUTYAZKPN-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP N#Cc1ccccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254048620 1315669298 /nfs/dbraw/zinc/66/92/98/1315669298.db2.gz UMFHFECFGSACQS-UHFFFAOYSA-N 2 0 335.451 2.675 20 30 EFEDRP N#Cc1ccc(CC[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001254048405 1315669313 /nfs/dbraw/zinc/66/93/13/1315669313.db2.gz MKCSMOSNWNSLNP-UHFFFAOYSA-N 2 0 349.478 2.717 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039244841 1315673579 /nfs/dbraw/zinc/67/35/79/1315673579.db2.gz ZDSXMLXEKRTDIF-UXHICEINSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251151 1315682137 /nfs/dbraw/zinc/68/21/37/1315682137.db2.gz SZHTZLAQTLQDNN-FUHWJXTLSA-N 2 0 330.476 2.540 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039282419 1315700589 /nfs/dbraw/zinc/70/05/89/1315700589.db2.gz PFJQOOVLRVZKDW-YQQQUEKLSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039301701 1315708911 /nfs/dbraw/zinc/70/89/11/1315708911.db2.gz MXQCOLGCGPTIKV-YQQQUEKLSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001039308777 1315712226 /nfs/dbraw/zinc/71/22/26/1315712226.db2.gz NENIZEACEUTTJZ-RAFMOHDBSA-N 2 0 345.531 2.776 20 30 EFEDRP COc1cc(C#N)ccc1OC1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254527983 1315719339 /nfs/dbraw/zinc/71/93/39/1315719339.db2.gz AGNFKZFZFGQGBO-KRWDZBQOSA-N 2 0 343.471 2.894 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048845 1315740991 /nfs/dbraw/zinc/74/09/91/1315740991.db2.gz ORERTOZCLUBOBG-CMKODMSKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207369 1315750050 /nfs/dbraw/zinc/75/00/50/1315750050.db2.gz NKIDPJSKAMMXBK-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388294 1315757328 /nfs/dbraw/zinc/75/73/28/1315757328.db2.gz KVQLVSYWOPFELB-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392210 1315758956 /nfs/dbraw/zinc/75/89/56/1315758956.db2.gz HPKGFVGVYKJYDK-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039397961 1315764412 /nfs/dbraw/zinc/76/44/12/1315764412.db2.gz IIEDAHVLOPZFOF-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039397968 1315764495 /nfs/dbraw/zinc/76/44/95/1315764495.db2.gz IMNFQMIILSAQNI-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050563464 1315782578 /nfs/dbraw/zinc/78/25/78/1315782578.db2.gz KWWDWVFLKGDDNH-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP CC[C@@H](CC#N)[NH2+]CCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255151431 1315782668 /nfs/dbraw/zinc/78/26/68/1315782668.db2.gz BAMHKGKJFGHICP-INIZCTEOSA-N 2 0 338.496 2.601 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039447864 1315797740 /nfs/dbraw/zinc/79/77/40/1315797740.db2.gz MZNGKGMMYQFRNS-QYZOEREBSA-N 2 0 333.520 2.891 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001039458041 1315805124 /nfs/dbraw/zinc/80/51/24/1315805124.db2.gz CDFZHHHLXUSGTR-AABGKKOBSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474464 1315817566 /nfs/dbraw/zinc/81/75/66/1315817566.db2.gz JJBNZVBIFFHVFX-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474463 1315817593 /nfs/dbraw/zinc/81/75/93/1315817593.db2.gz JJBNZVBIFFHVFX-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](C)CC[NH+](CC)CC)C2 ZINC001255944155 1315883116 /nfs/dbraw/zinc/88/31/16/1315883116.db2.gz SCHVMEATEDBAOI-FUHWJXTLSA-N 2 0 331.504 2.602 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001256623327 1315970737 /nfs/dbraw/zinc/97/07/37/1315970737.db2.gz NXIPIUMYHFEOTJ-WMWLNJEOSA-N 2 0 347.503 2.722 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652217 1315975548 /nfs/dbraw/zinc/97/55/48/1315975548.db2.gz VTRSACUZDGCLRJ-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP N#Cc1ccccc1N1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855907 1316000112 /nfs/dbraw/zinc/00/01/12/1316000112.db2.gz ZKVFIPSURUIEFZ-UHFFFAOYSA-N 2 0 347.466 2.744 20 30 EFEDRP C=CCOCc1nn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2c1C[NH2+]C2 ZINC001256916389 1316009686 /nfs/dbraw/zinc/00/96/86/1316009686.db2.gz QBEGEHCJOCCTCH-MRXNPFEDSA-N 2 0 330.476 2.768 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC001258137042 1316123590 /nfs/dbraw/zinc/12/35/90/1316123590.db2.gz BVXBECQSSNBIGV-NRFANRHFSA-N 2 0 327.516 2.934 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040202099 1316140444 /nfs/dbraw/zinc/14/04/44/1316140444.db2.gz PRIGENCCCRXKSO-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001040229614 1316154068 /nfs/dbraw/zinc/15/40/68/1316154068.db2.gz UTGGPZWDNAZUII-LJQANCHMSA-N 2 0 347.528 2.924 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233371 1316156952 /nfs/dbraw/zinc/15/69/52/1316156952.db2.gz ZCBHCMZWRWWAIX-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040240857 1316160710 /nfs/dbraw/zinc/16/07/10/1316160710.db2.gz KACNOSAEDALYEE-TZIWHRDSSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040244013 1316163474 /nfs/dbraw/zinc/16/34/74/1316163474.db2.gz FMLTWIIMBZHMHG-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774041 1316177233 /nfs/dbraw/zinc/17/72/33/1316177233.db2.gz UQMIEMCSVAFFEH-PMACEKPBSA-N 2 0 336.520 2.935 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277270 1316180215 /nfs/dbraw/zinc/18/02/15/1316180215.db2.gz ZWQVLTSUNRWORL-HXUWFJFHSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279955 1316180976 /nfs/dbraw/zinc/18/09/76/1316180976.db2.gz BNLLNWGRCBSFJJ-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347651 1316213856 /nfs/dbraw/zinc/21/38/56/1316213856.db2.gz LRKLBLRCVLLGMM-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391988 1316239029 /nfs/dbraw/zinc/23/90/29/1316239029.db2.gz RYNVFGAIMCLAGN-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040432674 1316262619 /nfs/dbraw/zinc/26/26/19/1316262619.db2.gz PQHRLQKWIIEGKQ-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433249 1316263408 /nfs/dbraw/zinc/26/34/08/1316263408.db2.gz VCCJJENGBATMEM-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465525 1316281454 /nfs/dbraw/zinc/28/14/54/1316281454.db2.gz ZNUONEQQCBMHQT-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040492684 1316291525 /nfs/dbraw/zinc/29/15/25/1316291525.db2.gz DFKZHAVUFNJSPS-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545576 1316316459 /nfs/dbraw/zinc/31/64/59/1316316459.db2.gz RDGMYIXXXODVHA-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545578 1316316766 /nfs/dbraw/zinc/31/67/66/1316316766.db2.gz RDGMYIXXXODVHA-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545957 1316317273 /nfs/dbraw/zinc/31/72/73/1316317273.db2.gz ZMSZRIRGRFYPDM-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040702735 1316354953 /nfs/dbraw/zinc/35/49/53/1316354953.db2.gz YIQQLWXQDWMNQD-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001040702488 1316355056 /nfs/dbraw/zinc/35/50/56/1316355056.db2.gz WOOSCSFNAKMCJW-IBGZPJMESA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040702740 1316355195 /nfs/dbraw/zinc/35/51/95/1316355195.db2.gz YIQQLWXQDWMNQD-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726599 1316360706 /nfs/dbraw/zinc/36/07/06/1316360706.db2.gz LUQMNEHGLGUAGQ-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726565 1316360963 /nfs/dbraw/zinc/36/09/63/1316360963.db2.gz KZCQHNCDZMSLOB-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040745549 1316365704 /nfs/dbraw/zinc/36/57/04/1316365704.db2.gz OEARKRPDRHLDLU-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040790654 1316375787 /nfs/dbraw/zinc/37/57/87/1316375787.db2.gz ZSJXAQDFNSWRDQ-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822165 1316382416 /nfs/dbraw/zinc/38/24/16/1316382416.db2.gz KRIGTFMWBYTDOZ-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847475 1316388251 /nfs/dbraw/zinc/38/82/51/1316388251.db2.gz QCIOWWGKYUYKFR-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874363 1316394483 /nfs/dbraw/zinc/39/44/83/1316394483.db2.gz DXNADOWYEIMOJI-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040883264 1316397270 /nfs/dbraw/zinc/39/72/70/1316397270.db2.gz MCNUCSMQPLZSEP-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001040895391 1316399665 /nfs/dbraw/zinc/39/96/65/1316399665.db2.gz WPNXAFMNTUCAIR-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040950959 1316409993 /nfs/dbraw/zinc/40/99/93/1316409993.db2.gz BWUPEPOGZLSIQD-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953002 1316410454 /nfs/dbraw/zinc/41/04/54/1316410454.db2.gz IVDSQFBYROWUCE-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001041301705 1316507120 /nfs/dbraw/zinc/50/71/20/1316507120.db2.gz PPEHVFKCFGKVCL-NLWGTHIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348664 1316523328 /nfs/dbraw/zinc/52/33/28/1316523328.db2.gz KWUIVBDGWBALHX-CTNGQTDRSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358029 1316527212 /nfs/dbraw/zinc/52/72/12/1316527212.db2.gz KPCQSGFYBGWEOK-FPOVZHCZSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357965 1316527368 /nfs/dbraw/zinc/52/73/68/1316527368.db2.gz JRBPJFZBRLYAMR-FPOVZHCZSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041371087 1316530819 /nfs/dbraw/zinc/53/08/19/1316530819.db2.gz KCGGVEVCDAUKLL-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041394388 1316537106 /nfs/dbraw/zinc/53/71/06/1316537106.db2.gz DNFNIJHABMSFFF-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424630 1316549012 /nfs/dbraw/zinc/54/90/12/1316549012.db2.gz NBRNWTQHDJTVHA-NRFANRHFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591188 1316611628 /nfs/dbraw/zinc/61/16/28/1316611628.db2.gz XSFNKJSSFPRDHX-TZIWHRDSSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC001041676658 1316645444 /nfs/dbraw/zinc/64/54/44/1316645444.db2.gz YYFYSCRYGVWNPT-OAQYLSRUSA-N 2 0 341.499 2.515 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041777083 1316692941 /nfs/dbraw/zinc/69/29/41/1316692941.db2.gz HICCIYXCKJPMEB-NRFANRHFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041843372 1316730322 /nfs/dbraw/zinc/73/03/22/1316730322.db2.gz QYYXNUFQOBYXHP-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844955 1316731222 /nfs/dbraw/zinc/73/12/22/1316731222.db2.gz QGIGWUIXBMPNTG-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845965 1316732090 /nfs/dbraw/zinc/73/20/90/1316732090.db2.gz UJCAUVGEVHIOHU-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122642 1316894501 /nfs/dbraw/zinc/89/45/01/1316894501.db2.gz ACPWCVRWUNDVJU-WMZOPIPTSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133169 1316900314 /nfs/dbraw/zinc/90/03/14/1316900314.db2.gz IPIYJMCIBOQMPU-QFBILLFUSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042136372 1316902729 /nfs/dbraw/zinc/90/27/29/1316902729.db2.gz UIXRRATUGDKPRV-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042136375 1316903118 /nfs/dbraw/zinc/90/31/18/1316903118.db2.gz UIXRRATUGDKPRV-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268681 1317066576 /nfs/dbraw/zinc/06/65/76/1317066576.db2.gz FJZYZSGZAIBICJ-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296881 1317108368 /nfs/dbraw/zinc/10/83/68/1317108368.db2.gz IDIAHWQXTHDOGB-IEBWSBKVSA-N 2 0 333.520 2.606 20 30 EFEDRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001266182245 1317129102 /nfs/dbraw/zinc/12/91/02/1317129102.db2.gz DINFPOAIPYJPJL-YJBOKZPZSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042307887 1317129411 /nfs/dbraw/zinc/12/94/11/1317129411.db2.gz QEHBEYCSXVQXJV-AZUAARDMSA-N 2 0 345.531 2.607 20 30 EFEDRP N#Cc1ccccc1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279233256 1317213514 /nfs/dbraw/zinc/21/35/14/1317213514.db2.gz MBCSTTNVMPMEPK-UHFFFAOYSA-N 2 0 349.482 2.743 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042365841 1317218724 /nfs/dbraw/zinc/21/87/24/1317218724.db2.gz RCQXROJKQDCPAQ-ICSRJNTNSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368146 1317222298 /nfs/dbraw/zinc/22/22/98/1317222298.db2.gz ONRRUFFYFTYXON-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369234 1317225107 /nfs/dbraw/zinc/22/51/07/1317225107.db2.gz VALNDHDKUDGVAW-XLIONFOSSA-N 2 0 341.499 2.861 20 30 EFEDRP N#CCc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279375709 1317250138 /nfs/dbraw/zinc/25/01/38/1317250138.db2.gz GMUVPGZDEPMTNY-OYRHEFFESA-N 2 0 349.482 2.820 20 30 EFEDRP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)ccn1 ZINC001279665637 1317350665 /nfs/dbraw/zinc/35/06/65/1317350665.db2.gz QHLMFKCJJFNOPX-UHFFFAOYSA-N 2 0 349.482 2.698 20 30 EFEDRP Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279696571 1317364893 /nfs/dbraw/zinc/36/48/93/1317364893.db2.gz AIKIDPXZHDBVTA-OYRHEFFESA-N 2 0 349.482 2.934 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001318115700 1328498941 /nfs/dbraw/zinc/49/89/41/1328498941.db2.gz LKHIXUHHEKMWEP-UHFFFAOYSA-N 2 0 325.456 2.566 20 30 EFEDRP CC1CC[NH+](CCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001329140058 1330672942 /nfs/dbraw/zinc/67/29/42/1330672942.db2.gz CODRUOSTNPXLOE-UHFFFAOYSA-N 2 0 328.460 2.598 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC001336797851 1331503802 /nfs/dbraw/zinc/50/38/02/1331503802.db2.gz FRFHHZSKFKGWSE-SJLPKXTDSA-N 2 0 336.524 2.576 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089917 1332137975 /nfs/dbraw/zinc/13/79/75/1332137975.db2.gz HFKVJLQLDAMCBM-RTBURBONSA-N 2 0 329.488 2.651 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001340822335 1332209514 /nfs/dbraw/zinc/20/95/14/1332209514.db2.gz HZAMHJVBSRGWHT-IBGZPJMESA-N 2 0 329.488 2.698 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616453 1332271285 /nfs/dbraw/zinc/27/12/85/1332271285.db2.gz YTTUIMMSEKGXRG-YTQUADARSA-N 2 0 329.488 2.697 20 30 EFEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001345606885 1332552622 /nfs/dbraw/zinc/55/26/22/1332552622.db2.gz RSNGSHZZJKFNDD-QGZVFWFLSA-N 2 0 342.487 2.989 20 30 EFEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001757267 1333447870 /nfs/dbraw/zinc/44/78/70/1333447870.db2.gz QSIZUQTUIXSRHV-FQEVSTJZSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001835835 1333578670 /nfs/dbraw/zinc/57/86/70/1333578670.db2.gz CYHSFUBOXNIOSS-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577884 1334139008 /nfs/dbraw/zinc/13/90/08/1334139008.db2.gz IVGMMLNSZSLOAT-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001100614170 1334406917 /nfs/dbraw/zinc/40/69/17/1334406917.db2.gz GUHLHYNGYUPLDA-UQPPLGOBSA-N 2 0 333.476 2.794 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200795685 1334542806 /nfs/dbraw/zinc/54/28/06/1334542806.db2.gz NDOPRWBAWIIGRS-QZTJIDSGSA-N 2 0 341.540 2.504 20 30 EFEDRP c1ccc(NC(=[NH+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)N2CCCCC2)cc1 ZINC000849073967 1335069391 /nfs/dbraw/zinc/06/93/91/1335069391.db2.gz SHJFOXQNDKZQCE-RBUKOAKNSA-N 2 0 342.487 2.804 20 30 EFEDRP C[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)N1CC[NH+](C)CC1 ZINC000849074393 1335069662 /nfs/dbraw/zinc/06/96/62/1335069662.db2.gz WLSOZCQHGZEPDV-SFHVURJKSA-N 2 0 343.519 2.576 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849076317 1335070149 /nfs/dbraw/zinc/07/01/49/1335070149.db2.gz GGWSXZXKHQMENX-QGZVFWFLSA-N 2 0 332.492 2.989 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849076316 1335070263 /nfs/dbraw/zinc/07/02/63/1335070263.db2.gz GGWSXZXKHQMENX-KRWDZBQOSA-N 2 0 332.492 2.989 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234591 1337468179 /nfs/dbraw/zinc/46/81/79/1337468179.db2.gz XDAOOTLPEPIBDR-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366421039 1337571471 /nfs/dbraw/zinc/57/14/71/1337571471.db2.gz BYPWLKKNXWALGV-CVEARBPZSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001368420585 1339354197 /nfs/dbraw/zinc/35/41/97/1339354197.db2.gz QOXQYQTVFZDFQA-QAQDUYKDSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368769669 1339694741 /nfs/dbraw/zinc/69/47/41/1339694741.db2.gz GTYVSSXJHREGJI-QGZVFWFLSA-N 2 0 343.943 2.886 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001373964511 1341258978 /nfs/dbraw/zinc/25/89/78/1341258978.db2.gz UROYGTBYNLUFLM-CQSZACIVSA-N 2 0 332.835 2.589 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001375174545 1342490285 /nfs/dbraw/zinc/49/02/85/1342490285.db2.gz FVFTYYPHCMTLML-CVEARBPZSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001375292895 1342600048 /nfs/dbraw/zinc/60/00/48/1342600048.db2.gz YWADZBRALDQTGO-CVEARBPZSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001375593303 1342910900 /nfs/dbraw/zinc/91/09/00/1342910900.db2.gz HAYNKRPHNOGLMF-QGZVFWFLSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001376943161 1343973620 /nfs/dbraw/zinc/97/36/20/1343973620.db2.gz NSJPCVSVCYBWQL-MRXNPFEDSA-N 2 0 349.906 2.595 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001377602213 1344208516 /nfs/dbraw/zinc/20/85/16/1344208516.db2.gz BYYKGNYZHWPUJN-GOEBONIOSA-N 2 0 329.916 2.542 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001378493060 1345121889 /nfs/dbraw/zinc/12/18/89/1345121889.db2.gz HALYRKAMTPMKDS-KRWDZBQOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928980 1345434619 /nfs/dbraw/zinc/43/46/19/1345434619.db2.gz SOOCDPHONYFBOD-WBVHZDCISA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001379696913 1347266503 /nfs/dbraw/zinc/26/65/03/1347266503.db2.gz RDXJVYSIDPXZSE-NVXWUHKLSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001380670193 1347802694 /nfs/dbraw/zinc/80/26/94/1347802694.db2.gz SMXJCXAYTOZSLH-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001380860682 1347920379 /nfs/dbraw/zinc/92/03/79/1347920379.db2.gz LYZUMGKQSRUVBD-INIZCTEOSA-N 2 0 339.911 2.774 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667720 1387275530 /nfs/dbraw/zinc/27/55/30/1387275530.db2.gz MZQSQJLHIVTGTA-RDJZCZTQSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001392186052 1355840247 /nfs/dbraw/zinc/84/02/47/1355840247.db2.gz PDPLMZBYGCKPMO-HOTGVXAUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001392740228 1356296768 /nfs/dbraw/zinc/29/67/68/1356296768.db2.gz YJCRTSAHIRAWJP-DLBZAZTESA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060669 1387390777 /nfs/dbraw/zinc/39/07/77/1387390777.db2.gz RDYFMZVZMNPELZ-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192890 1360368674 /nfs/dbraw/zinc/36/86/74/1360368674.db2.gz ARMHGGTUDRHGRY-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192894 1360368792 /nfs/dbraw/zinc/36/87/92/1360368792.db2.gz ARMHGGTUDRHGRY-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001402031712 1363343656 /nfs/dbraw/zinc/34/36/56/1363343656.db2.gz MEJVSPGOOISTQK-ZBFHGGJFSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001402064570 1363371293 /nfs/dbraw/zinc/37/12/93/1363371293.db2.gz ZMHNBNLPQNORTN-LSDHHAIUSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001402809775 1364057180 /nfs/dbraw/zinc/05/71/80/1364057180.db2.gz CRLQVKYEVYKKKK-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001403503625 1364711676 /nfs/dbraw/zinc/71/16/76/1364711676.db2.gz GGZHFDPOPIIOLJ-KRWDZBQOSA-N 2 0 346.862 2.835 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001403782848 1364933416 /nfs/dbraw/zinc/93/34/16/1364933416.db2.gz AZYVBQDBNYVUMZ-FUHWJXTLSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001405408345 1366179577 /nfs/dbraw/zinc/17/95/77/1366179577.db2.gz RNKFZCXOQRHXQD-UHFFFAOYSA-N 2 0 327.900 2.634 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001405986069 1367054109 /nfs/dbraw/zinc/05/41/09/1367054109.db2.gz DEWUBBZWNFYGOK-QGZVFWFLSA-N 2 0 343.943 2.886 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1CC ZINC001406799855 1368070141 /nfs/dbraw/zinc/07/01/41/1368070141.db2.gz ATXMMPZRPASOJN-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001406998092 1368299598 /nfs/dbraw/zinc/29/95/98/1368299598.db2.gz BGQRSXNLOFBILA-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001418841204 1374564121 /nfs/dbraw/zinc/56/41/21/1374564121.db2.gz AJIAUYDBXCSQBC-HNNXBMFYSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001419422407 1375253497 /nfs/dbraw/zinc/25/34/97/1375253497.db2.gz HRZGLCFJPAWQSV-BRWVUGGUSA-N 2 0 335.879 2.669 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001419482448 1375327462 /nfs/dbraw/zinc/32/74/62/1375327462.db2.gz CUBUOCOVFIJRQV-CQSZACIVSA-N 2 0 329.916 2.593 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001419831252 1375951975 /nfs/dbraw/zinc/95/19/75/1375951975.db2.gz NQVDLNPABBUUCI-HZPDHXFCSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001421020443 1378032148 /nfs/dbraw/zinc/03/21/48/1378032148.db2.gz RUCJUOMXOXXMJH-QGZVFWFLSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001421550730 1378797100 /nfs/dbraw/zinc/79/71/00/1378797100.db2.gz UVNSASZGKYKIBQ-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001421732894 1379051938 /nfs/dbraw/zinc/05/19/38/1379051938.db2.gz SVYVBITZUKBUNY-WMLDXEAASA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCCC1 ZINC001422035853 1379521254 /nfs/dbraw/zinc/52/12/54/1379521254.db2.gz UWSWLBUQWMMVSS-INIZCTEOSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001422182307 1379740755 /nfs/dbraw/zinc/74/07/55/1379740755.db2.gz AYHIXEYPPBLDMN-UHFFFAOYSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001422420776 1380067751 /nfs/dbraw/zinc/06/77/51/1380067751.db2.gz JTRYLFFWAKUSQO-UHFFFAOYSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001423327740 1381789498 /nfs/dbraw/zinc/78/94/98/1381789498.db2.gz UGRGMKFYBXJNPI-KRWDZBQOSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001423339996 1381807900 /nfs/dbraw/zinc/80/79/00/1381807900.db2.gz WEDCACMZQYOZJF-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001424194449 1382849027 /nfs/dbraw/zinc/84/90/27/1382849027.db2.gz AKAHYCDRMLUIRT-HNNXBMFYSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001440890453 1389982298 /nfs/dbraw/zinc/98/22/98/1389982298.db2.gz VGBRXIRERSBXJE-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001441742425 1391413076 /nfs/dbraw/zinc/41/30/76/1391413076.db2.gz WXVSCCCPDJYJNV-UHFFFAOYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001446663346 1391572559 /nfs/dbraw/zinc/57/25/59/1391572559.db2.gz FPZFOJKZKGAUFQ-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001447964526 1391860319 /nfs/dbraw/zinc/86/03/19/1391860319.db2.gz MLCYONVILOIARW-MRXNPFEDSA-N 2 0 343.943 2.935 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507324005 1406888683 /nfs/dbraw/zinc/88/86/83/1406888683.db2.gz YGROCSRJXJAGJA-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479311703 1397677727 /nfs/dbraw/zinc/67/77/27/1397677727.db2.gz ZTBGUZXOYDCZFR-IYBDPMFKSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505819942 1405107828 /nfs/dbraw/zinc/10/78/28/1405107828.db2.gz DKCBEFAVAROYBT-MRXNPFEDSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155844 712942355 /nfs/dbraw/zinc/94/23/55/712942355.db2.gz DLALQTOBKSSDFY-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC(=C)C)CC1 ZINC000969156201 712943266 /nfs/dbraw/zinc/94/32/66/712943266.db2.gz MDUQFFUCLJKFPX-HXUWFJFHSA-N 2 0 345.531 2.659 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723198 717892194 /nfs/dbraw/zinc/89/21/94/717892194.db2.gz SMLADAYKYBRQTB-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000383177169 713070233 /nfs/dbraw/zinc/07/02/33/713070233.db2.gz OVYZUAUQLBSZMX-SJORKVTESA-N 2 0 337.508 2.615 20 30 EFEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679600 713214399 /nfs/dbraw/zinc/21/43/99/713214399.db2.gz HAJHYDBRRAJEIF-SJORKVTESA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001021120134 713592614 /nfs/dbraw/zinc/59/26/14/713592614.db2.gz DDKKJTMZMRULCN-HDJSIYSDSA-N 2 0 339.867 2.724 20 30 EFEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326242 713636469 /nfs/dbraw/zinc/63/64/69/713636469.db2.gz OLYLJAVHTDFIAT-QFBILLFUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428637 713707225 /nfs/dbraw/zinc/70/72/25/713707225.db2.gz QJLDLFRBVNBDIW-QGZVFWFLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000980224522 717924836 /nfs/dbraw/zinc/92/48/36/717924836.db2.gz ZYQCWJFLUPLOEB-UFYCRDLUSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980214249 717927057 /nfs/dbraw/zinc/92/70/57/717927057.db2.gz FASOLDHIAIBBDT-FHWLQOOXSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980216145 717928915 /nfs/dbraw/zinc/92/89/15/717928915.db2.gz QNIANKLTLDOITF-YESZJQIVSA-N 2 0 342.487 2.554 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980216379 717930075 /nfs/dbraw/zinc/93/00/75/717930075.db2.gz JOYVPDCYNSGCMB-UFYCRDLUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970714313 713927666 /nfs/dbraw/zinc/92/76/66/713927666.db2.gz POLWVNJUJZZLSR-MRXNPFEDSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970841411 714065575 /nfs/dbraw/zinc/06/55/75/714065575.db2.gz LPMKXZQAHCKVDM-CQSZACIVSA-N 2 0 339.867 2.678 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620430 714188751 /nfs/dbraw/zinc/18/87/51/714188751.db2.gz UGXITPMUOMGGJH-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622023 714191476 /nfs/dbraw/zinc/19/14/76/714191476.db2.gz GUKZNWKCCQHVBV-MJGOQNOKSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634996 714212950 /nfs/dbraw/zinc/21/29/50/714212950.db2.gz GZJSMLGRXQCNHT-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571011 717961739 /nfs/dbraw/zinc/96/17/39/717961739.db2.gz QQYAQTDYUHFZGO-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571340 717962709 /nfs/dbraw/zinc/96/27/09/717962709.db2.gz YDOHAGIJVNJFJB-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682008 714295796 /nfs/dbraw/zinc/29/57/96/714295796.db2.gz LMKGREJNNVEWLO-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682007 714295943 /nfs/dbraw/zinc/29/59/43/714295943.db2.gz LMKGREJNNVEWLO-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701247 714334807 /nfs/dbraw/zinc/33/48/07/714334807.db2.gz WORGIUBUYVCJPV-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160723171 714450490 /nfs/dbraw/zinc/45/04/90/714450490.db2.gz UHPSTQZWCXDQKN-LLVKDONJSA-N 2 0 330.354 2.654 20 30 EFEDRP C=C(Cl)CN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845643 714479531 /nfs/dbraw/zinc/47/95/31/714479531.db2.gz LILIURFMFSXCEB-WMZOPIPTSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542128 714701146 /nfs/dbraw/zinc/70/11/46/714701146.db2.gz ZIZVAJMEYFGGJP-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971681720 714882521 /nfs/dbraw/zinc/88/25/21/714882521.db2.gz GBVJCOCIUOKCFI-HOTGVXAUSA-N 2 0 327.900 2.535 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617869 718027062 /nfs/dbraw/zinc/02/70/62/718027062.db2.gz MHBGODALIBDDHI-VQTJNVASSA-N 2 0 345.531 2.778 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000891853680 715066480 /nfs/dbraw/zinc/06/64/80/715066480.db2.gz CFUPTCLLEGXFEM-UHFFFAOYSA-N 2 0 349.482 2.570 20 30 EFEDRP C=C(Cl)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001024615451 718028115 /nfs/dbraw/zinc/02/81/15/718028115.db2.gz SQCDFKGZVQLPJW-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947135 715369240 /nfs/dbraw/zinc/36/92/40/715369240.db2.gz NKFQCLZXTDBVEO-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038994 715443853 /nfs/dbraw/zinc/44/38/53/715443853.db2.gz MHJFTGMIGNLVJZ-KXBFYZLASA-N 2 0 339.499 2.602 20 30 EFEDRP C=CCC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975038992 715444331 /nfs/dbraw/zinc/44/43/31/715444331.db2.gz MHJFTGMIGNLVJZ-HNAYVOBHSA-N 2 0 339.499 2.602 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000303710330 724416922 /nfs/dbraw/zinc/41/69/22/724416922.db2.gz OJABHMZWAVCDEO-AWEZNQCLSA-N 2 0 334.464 2.695 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001027417385 715739903 /nfs/dbraw/zinc/73/99/03/715739903.db2.gz XEUPYABQMNLCTL-IRXDYDNUSA-N 2 0 332.492 2.896 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001027417386 715739940 /nfs/dbraw/zinc/73/99/40/715739940.db2.gz XEUPYABQMNLCTL-SJORKVTESA-N 2 0 332.492 2.896 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027443414 715817055 /nfs/dbraw/zinc/81/70/55/715817055.db2.gz LSOLQHUPCCVBFW-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027446557 715832610 /nfs/dbraw/zinc/83/26/10/715832610.db2.gz NNEYLCHVKVYVSO-PMACEKPBSA-N 2 0 343.515 2.507 20 30 EFEDRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303897977 724432032 /nfs/dbraw/zinc/43/20/32/724432032.db2.gz QXQMJILHDDGUJY-ROUUACIJSA-N 2 0 330.520 2.892 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472099 715929878 /nfs/dbraw/zinc/92/98/78/715929878.db2.gz MZSZIKJXLYFMMU-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647316 716306136 /nfs/dbraw/zinc/30/61/36/716306136.db2.gz NMAMFBFSLIPSQY-QUCCMNQESA-N 2 0 329.488 2.572 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413365 716437546 /nfs/dbraw/zinc/43/75/46/716437546.db2.gz DBJKFIGMXWXWDU-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469794 716507248 /nfs/dbraw/zinc/50/72/48/716507248.db2.gz NWPYLNZCFLBSHS-MRXNPFEDSA-N 2 0 326.444 2.742 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553258 716617624 /nfs/dbraw/zinc/61/76/24/716617624.db2.gz YKRYGWCDRFQAGX-ICSRJNTNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000978169933 716867535 /nfs/dbraw/zinc/86/75/35/716867535.db2.gz VLVGNCZWQVRSAZ-AFYVEPGGSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC000980490812 717343181 /nfs/dbraw/zinc/34/31/81/717343181.db2.gz MOKZYEUDJVDYJY-SJORKVTESA-N 2 0 335.879 2.575 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027944133 717378881 /nfs/dbraw/zinc/37/88/81/717378881.db2.gz VDLZJYBRNHDXGX-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cnc(C)c3)C[C@H]2C1 ZINC000979990880 717640435 /nfs/dbraw/zinc/64/04/35/717640435.db2.gz RTMXMFHNYAQBCF-OKZBNKHCSA-N 2 0 344.503 2.719 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980154015 717810108 /nfs/dbraw/zinc/81/01/08/717810108.db2.gz FUUNGCRUXCVEQT-CGTJXYLNSA-N 2 0 345.487 2.748 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024488414 717811545 /nfs/dbraw/zinc/81/15/45/717811545.db2.gz YIDQOTUCUSKDBY-UXHICEINSA-N 2 0 343.515 2.555 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885647 717834984 /nfs/dbraw/zinc/83/49/84/717834984.db2.gz HKOVTUUONBSTAT-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168368 717835203 /nfs/dbraw/zinc/83/52/03/717835203.db2.gz NKLLNIVNXKSGAB-BZSNNMDCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187667 717875825 /nfs/dbraw/zinc/87/58/25/717875825.db2.gz KGLODSWRJHNNMH-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187665 717876076 /nfs/dbraw/zinc/87/60/76/717876076.db2.gz KGLODSWRJHNNMH-FHWLQOOXSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652599 718061765 /nfs/dbraw/zinc/06/17/65/718061765.db2.gz QQPAIJNMNUOGLW-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751846 718134472 /nfs/dbraw/zinc/13/44/72/718134472.db2.gz LLWLARNTRASQPT-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811804 718175459 /nfs/dbraw/zinc/17/54/59/718175459.db2.gz ZSGKJEWQAZAZBR-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000248848601 718289877 /nfs/dbraw/zinc/28/98/77/718289877.db2.gz SNMXZZMOMWOBFM-RTBURBONSA-N 2 0 333.520 2.586 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000985497259 724495467 /nfs/dbraw/zinc/49/54/67/724495467.db2.gz UPJKNUVTPOHVBH-IRXDYDNUSA-N 2 0 339.911 2.679 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240497 718460314 /nfs/dbraw/zinc/46/03/14/718460314.db2.gz PGAYXQJBZTXNAW-ZWKOTPCHSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025241322 718461095 /nfs/dbraw/zinc/46/10/95/718461095.db2.gz WIVGWWJDJIRDHF-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248294 718469131 /nfs/dbraw/zinc/46/91/31/718469131.db2.gz YBMRKDILQDPCEF-RTBURBONSA-N 2 0 338.455 2.979 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266083 718486875 /nfs/dbraw/zinc/48/68/75/718486875.db2.gz IYRWOIUDXIOLPK-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981199517 718493951 /nfs/dbraw/zinc/49/39/51/718493951.db2.gz QPGTVNHPZBNMCE-LSDHHAIUSA-N 2 0 332.835 2.717 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025287648 718524343 /nfs/dbraw/zinc/52/43/43/718524343.db2.gz FNVAWIIYBOPJIT-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001025289761 718530119 /nfs/dbraw/zinc/53/01/19/718530119.db2.gz SBUDQHXDJVBNFX-OALUTQOASA-N 2 0 344.503 2.774 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300765 718546931 /nfs/dbraw/zinc/54/69/31/718546931.db2.gz FCYPRTKDOKOZGN-OALUTQOASA-N 2 0 333.520 2.894 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981342089 718641513 /nfs/dbraw/zinc/64/15/13/718641513.db2.gz YYPLQSGTUJDREP-RTBURBONSA-N 2 0 329.488 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981342086 718641568 /nfs/dbraw/zinc/64/15/68/718641568.db2.gz YYPLQSGTUJDREP-MOPGFXCFSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981333699 718641996 /nfs/dbraw/zinc/64/19/96/718641996.db2.gz DOPVOTTYTMIGQZ-WOJBJXKFSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981463303 718738298 /nfs/dbraw/zinc/73/82/98/718738298.db2.gz GCFZAXHHLIPXQJ-ZIAGYGMSSA-N 2 0 336.867 2.531 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025434625 718834606 /nfs/dbraw/zinc/83/46/06/718834606.db2.gz XLRRTTSEQMGPSK-GJZGRUSLSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025460362 718912715 /nfs/dbraw/zinc/91/27/15/718912715.db2.gz ZEUQLMMSDJBYEI-GJZGRUSLSA-N 2 0 326.444 2.969 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469452 718952290 /nfs/dbraw/zinc/95/22/90/718952290.db2.gz PHIXOXIPONGTAM-HOTGVXAUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473207 718959481 /nfs/dbraw/zinc/95/94/81/718959481.db2.gz ARSGFRYAPXEJCZ-DOTOQJQBSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025474013 718961139 /nfs/dbraw/zinc/96/11/39/718961139.db2.gz IDJHRGUWTZNLBN-RDJZCZTQSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486366 719001377 /nfs/dbraw/zinc/00/13/77/719001377.db2.gz UBYDGPQSUKUTRV-HOTGVXAUSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981764954 719012406 /nfs/dbraw/zinc/01/24/06/719012406.db2.gz LGNZQHZHVGQUBA-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516283 719053202 /nfs/dbraw/zinc/05/32/02/719053202.db2.gz RCHYWTKQHSOEQE-HOTGVXAUSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981801644 719055497 /nfs/dbraw/zinc/05/54/97/719055497.db2.gz VSGRLYLDIQHXRH-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137959 719115555 /nfs/dbraw/zinc/11/55/55/719115555.db2.gz QGINWTSWSQVJCP-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981842719 719120511 /nfs/dbraw/zinc/12/05/11/719120511.db2.gz JLHJRQJKJSKCOE-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981842809 719120797 /nfs/dbraw/zinc/12/07/97/719120797.db2.gz MLDVHBSFWVCWTA-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981843221 719121235 /nfs/dbraw/zinc/12/12/35/719121235.db2.gz XBFUEZFIOHEHGN-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624063 719242389 /nfs/dbraw/zinc/24/23/89/719242389.db2.gz AXUSACMIRKLBNW-XLIONFOSSA-N 2 0 341.499 2.602 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624062 719242410 /nfs/dbraw/zinc/24/24/10/719242410.db2.gz AXUSACMIRKLBNW-PXNSSMCTSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025629317 719253703 /nfs/dbraw/zinc/25/37/03/719253703.db2.gz FSOYLICFVARAQH-QZTJIDSGSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629681 719254427 /nfs/dbraw/zinc/25/44/27/719254427.db2.gz IQBRSLFRUBGVRA-UYAOXDASSA-N 2 0 345.531 2.515 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631339 719259141 /nfs/dbraw/zinc/25/91/41/719259141.db2.gz ZRYQZMIEAXOLBW-AZUAARDMSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC000982114719 719572315 /nfs/dbraw/zinc/57/23/15/719572315.db2.gz FRCAMUVPZDQQQY-FQEVSTJZSA-N 2 0 341.499 2.574 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163849 719608813 /nfs/dbraw/zinc/60/88/13/719608813.db2.gz ZBOKWUGXNCQAKC-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164558 719609724 /nfs/dbraw/zinc/60/97/24/719609724.db2.gz QXRRRANZZYLREF-LJQANCHMSA-N 2 0 341.499 2.790 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279897 719792431 /nfs/dbraw/zinc/79/24/31/719792431.db2.gz LWZYAQRWGHWRMX-UKAVVXHISA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3sccc3C[NH+](C)C)C[C@@]2(C)C1 ZINC000982291028 719824417 /nfs/dbraw/zinc/82/44/17/719824417.db2.gz AITJPEYXLVEZLS-KDURUIRLSA-N 2 0 347.528 2.780 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947362249 720000024 /nfs/dbraw/zinc/00/00/24/720000024.db2.gz VNRWPBNTDFIIQP-ZBFHGGJFSA-N 2 0 335.517 2.969 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]12 ZINC001026266317 720073764 /nfs/dbraw/zinc/07/37/64/720073764.db2.gz DTBFGECPNDEUHN-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC001026278238 720114451 /nfs/dbraw/zinc/11/44/51/720114451.db2.gz WDTOQQLNOXNGRN-USXIJHARSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc4nccn43)C[C@H]12 ZINC001026312285 720211098 /nfs/dbraw/zinc/21/10/98/720211098.db2.gz UIZFOFNYISIIJI-QLFBSQMISA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982476218 720283595 /nfs/dbraw/zinc/28/35/95/720283595.db2.gz USVMKLVERSTZRI-JYAXBFRTSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]12 ZINC001026427868 720559825 /nfs/dbraw/zinc/55/98/25/720559825.db2.gz VHZZDRSICGNLGQ-HSALFYBXSA-N 2 0 341.499 2.765 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]12 ZINC001026429003 720562461 /nfs/dbraw/zinc/56/24/61/720562461.db2.gz QAFFEBARGHNGGV-BPQIPLTHSA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000985593300 724691175 /nfs/dbraw/zinc/69/11/75/724691175.db2.gz JYDJDPFUXIPFEI-INIZCTEOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001026528742 720708732 /nfs/dbraw/zinc/70/87/32/720708732.db2.gz VZRPKDAIKNAFTL-UHFFFAOYSA-N 2 0 332.835 2.717 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001026559127 720751038 /nfs/dbraw/zinc/75/10/38/720751038.db2.gz BIFQKJCVQGVTAJ-LADRWXRNSA-N 2 0 339.499 2.792 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001026609239 720818832 /nfs/dbraw/zinc/81/88/32/720818832.db2.gz CKEXRLSZKQJTOQ-UHFFFAOYSA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552813 720820089 /nfs/dbraw/zinc/82/00/89/720820089.db2.gz DNAWZIZCPCCONF-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541840 720983660 /nfs/dbraw/zinc/98/36/60/720983660.db2.gz FWJXYCMYQADALA-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639794 721040349 /nfs/dbraw/zinc/04/03/49/721040349.db2.gz ADRFHVYFSUDCHP-JYAXBFRTSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982693995 721093963 /nfs/dbraw/zinc/09/39/63/721093963.db2.gz HREYWGMQQIGCPN-OYRHEFFESA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC000982833052 721307180 /nfs/dbraw/zinc/30/71/80/721307180.db2.gz BWQMCGHJYDLDSY-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974780683 721427529 /nfs/dbraw/zinc/42/75/29/721427529.db2.gz UFOPJKAWPXBERK-KRWDZBQOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862688 721484403 /nfs/dbraw/zinc/48/44/03/721484403.db2.gz KXFUSAWUEJBYAR-LJQANCHMSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709792 721876514 /nfs/dbraw/zinc/87/65/14/721876514.db2.gz DPGVTYXHYGHMKZ-GOSISDBHSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872608 722064516 /nfs/dbraw/zinc/06/45/16/722064516.db2.gz HGDSFUZKBQGBQN-INIZCTEOSA-N 2 0 335.879 2.552 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029012020 722632584 /nfs/dbraw/zinc/63/25/84/722632584.db2.gz GUJYWRJOYHNYKX-INIZCTEOSA-N 2 0 333.476 2.749 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)C(C)C ZINC000262635790 724882573 /nfs/dbraw/zinc/88/25/73/724882573.db2.gz HWSWPRSBDNGVGN-OALUTQOASA-N 2 0 329.488 2.810 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000985800541 724895033 /nfs/dbraw/zinc/89/50/33/724895033.db2.gz HYOICZCREATTRC-IBGZPJMESA-N 2 0 329.488 2.788 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992017331 725465901 /nfs/dbraw/zinc/46/59/01/725465901.db2.gz ZNEWJOWSSNCGCC-NLWGTHIKSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992146555 725562670 /nfs/dbraw/zinc/56/26/70/725562670.db2.gz HKQIJDVKDILVOZ-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992171902 725587181 /nfs/dbraw/zinc/58/71/81/725587181.db2.gz ZCYXUBPROCQXJC-CTNGQTDRSA-N 2 0 341.499 2.704 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992292939 725683892 /nfs/dbraw/zinc/68/38/92/725683892.db2.gz DTGHQNUNHMOBKP-WSTZPKSXSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992317658 725711070 /nfs/dbraw/zinc/71/10/70/725711070.db2.gz PCKPEUWPNFWTEM-AZUAARDMSA-N 2 0 327.472 2.661 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057310 725948305 /nfs/dbraw/zinc/94/83/05/725948305.db2.gz VJWKYUNGFKSSHB-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC000992694188 726115544 /nfs/dbraw/zinc/11/55/44/726115544.db2.gz RGPUSHSQQPQQGO-OKZBNKHCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015376139 726258097 /nfs/dbraw/zinc/25/80/97/726258097.db2.gz HRGGTPHADMFZNG-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC000992854589 726300940 /nfs/dbraw/zinc/30/09/40/726300940.db2.gz IHHGUMFLSIYJBE-XUVXKRRUSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC000992855116 726306571 /nfs/dbraw/zinc/30/65/71/726306571.db2.gz UOLFZJDYYUSYJY-HSALFYBXSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC000992860595 726309951 /nfs/dbraw/zinc/30/99/51/726309951.db2.gz OANKJQYPWHEJLG-CEXWTWQISA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040209377 726317288 /nfs/dbraw/zinc/31/72/88/726317288.db2.gz IZJOGSNPWZHQTI-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC000992931148 726345655 /nfs/dbraw/zinc/34/56/55/726345655.db2.gz NGNNALMYQSKNSU-GBESFXJTSA-N 2 0 333.520 2.655 20 30 EFEDRP CN(c1ccccc1C=[NH+]OC[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000788033729 726820648 /nfs/dbraw/zinc/82/06/48/726820648.db2.gz LRJHMSGBZSDZPO-INIZCTEOSA-N 2 0 331.460 2.604 20 30 EFEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000153561295 726945131 /nfs/dbraw/zinc/94/51/31/726945131.db2.gz DRPKRXHMSACPAA-UHFFFAOYSA-N 2 0 338.565 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993357985 727160616 /nfs/dbraw/zinc/16/06/16/727160616.db2.gz YBTFUVJLRSGJGJ-NVXWUHKLSA-N 2 0 326.444 2.802 20 30 EFEDRP C(=NNCC[NH+]1CCCCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000915973375 727644114 /nfs/dbraw/zinc/64/41/14/727644114.db2.gz GTVKWPMJINKPNV-UHFFFAOYSA-N 2 0 344.503 2.571 20 30 EFEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCC[N@H+]1C ZINC000916410624 727681937 /nfs/dbraw/zinc/68/19/37/727681937.db2.gz XDOQSBOOPYUYMM-MRXNPFEDSA-N 2 0 349.548 2.679 20 30 EFEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CCCSC)C1 ZINC000912508850 727719571 /nfs/dbraw/zinc/71/95/71/727719571.db2.gz RSOFUHJFHBROBZ-HNNXBMFYSA-N 2 0 328.570 2.805 20 30 EFEDRP C=CCCN1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950329788 727899719 /nfs/dbraw/zinc/89/97/19/727899719.db2.gz AGDXLUTTWFKWIM-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCOc1ccc(Br)cc1C[NH2+]CCCC[NH+](C)C ZINC000045598401 728045096 /nfs/dbraw/zinc/04/50/96/728045096.db2.gz RHVYOCOLMMACCZ-UHFFFAOYSA-N 2 0 339.277 2.893 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364824 728119557 /nfs/dbraw/zinc/11/95/57/728119557.db2.gz JTBPLUMVHVRQPM-IRXDYDNUSA-N 2 0 341.927 2.925 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157396876 728142806 /nfs/dbraw/zinc/14/28/06/728142806.db2.gz OVWOTXYZJOWXAC-HNNXBMFYSA-N 2 0 348.491 2.798 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947954 728304946 /nfs/dbraw/zinc/30/49/46/728304946.db2.gz JORYXVIEXTZOEO-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765611 728364430 /nfs/dbraw/zinc/36/44/30/728364430.db2.gz ABEYDTXPJJBEID-APWZRJJASA-N 2 0 339.499 2.698 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000170908894 728494314 /nfs/dbraw/zinc/49/43/14/728494314.db2.gz TUHSFVMSZMBBTH-UHFFFAOYSA-N 2 0 336.483 2.929 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000170909620 728494411 /nfs/dbraw/zinc/49/44/11/728494411.db2.gz OQXNMELUQXLKGF-HNAYVOBHSA-N 2 0 332.492 2.610 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849414 729093454 /nfs/dbraw/zinc/09/34/54/729093454.db2.gz QYRJBLPQKYQEJE-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000939815587 729147258 /nfs/dbraw/zinc/14/72/58/729147258.db2.gz JOZBWRNSZLDNCE-CXAGYDPISA-N 2 0 335.879 2.551 20 30 EFEDRP C=CC1(CC(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)C[NH2+]C1 ZINC001574879871 1088135015 /nfs/dbraw/zinc/13/50/15/1088135015.db2.gz KKCYBVKTOMSBAW-UHFFFAOYSA-N 2 0 343.471 2.574 20 30 EFEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892505 1088142327 /nfs/dbraw/zinc/14/23/27/1088142327.db2.gz DQVZLTUDPMODEM-SLYNCCJLSA-N 2 0 341.499 2.712 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001574902794 1088144264 /nfs/dbraw/zinc/14/42/64/1088144264.db2.gz GXUNIZWCIMHGMQ-RTBURBONSA-N 2 0 329.488 2.932 20 30 EFEDRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]([NH3+])CCCCC#N ZINC001579738558 1090676132 /nfs/dbraw/zinc/67/61/32/1090676132.db2.gz QWSIJCFDKAPBGA-LNLFQRSKSA-N 2 0 340.471 2.541 20 30 EFEDRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579965065 1090733498 /nfs/dbraw/zinc/73/34/98/1090733498.db2.gz XNSMNQGPKAUGPP-GOSISDBHSA-N 2 0 337.471 2.827 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961099 1090733731 /nfs/dbraw/zinc/73/37/31/1090733731.db2.gz AWMHRCKTUFZWME-OALUTQOASA-N 2 0 349.482 2.780 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580071891 1090763023 /nfs/dbraw/zinc/76/30/23/1090763023.db2.gz FYEKMYHCJZYQDG-LJQANCHMSA-N 2 0 336.439 2.728 20 30 EFEDRP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580078383 1090766287 /nfs/dbraw/zinc/76/62/87/1090766287.db2.gz WMFPRMDCEOOFAA-HOTGVXAUSA-N 2 0 328.416 2.678 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448192 1092754035 /nfs/dbraw/zinc/75/40/35/1092754035.db2.gz QESYUXWPXBAYKM-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448073 1092756168 /nfs/dbraw/zinc/75/61/68/1092756168.db2.gz NCWKKLDOJILZKH-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599671 1093007747 /nfs/dbraw/zinc/00/77/47/1093007747.db2.gz OQRTUYJMPNXXGI-UHFFFAOYSA-N 2 0 335.536 2.949 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001075454312 1093047662 /nfs/dbraw/zinc/04/76/62/1093047662.db2.gz QJCHRIIOBBUFIW-UYAOXDASSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112515050 1093192049 /nfs/dbraw/zinc/19/20/49/1093192049.db2.gz TXMBXISJOBYCMF-HBFSDRIKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001075458542 1093228918 /nfs/dbraw/zinc/22/89/18/1093228918.db2.gz JFYUSPUMSQQDBZ-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001075458444 1093229251 /nfs/dbraw/zinc/22/92/51/1093229251.db2.gz GBYUWCPAAYMGJH-RTBURBONSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1C ZINC001104440366 1093243569 /nfs/dbraw/zinc/24/35/69/1093243569.db2.gz BCRCDJOSYVQEHL-KZNAEPCWSA-N 2 0 346.519 2.782 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104450502 1093288701 /nfs/dbraw/zinc/28/87/01/1093288701.db2.gz AYUGIMKNDPUNKW-MISYRCLQSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461324 1093315401 /nfs/dbraw/zinc/31/54/01/1093315401.db2.gz CRIPNYQTSGJLSC-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461666 1093327429 /nfs/dbraw/zinc/32/74/29/1093327429.db2.gz NUXVQSRKUURVMA-MOPGFXCFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461865 1093333463 /nfs/dbraw/zinc/33/34/63/1093333463.db2.gz VCLDHXXGTDHDPL-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001104595669 1094388579 /nfs/dbraw/zinc/38/85/79/1094388579.db2.gz XXBJPCSDEFKHMV-FGTMMUONSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001104595811 1094388678 /nfs/dbraw/zinc/38/86/78/1094388678.db2.gz ZWRWZEFKFXAPRG-HZPDHXFCSA-N 2 0 333.476 2.605 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167710395 1094400215 /nfs/dbraw/zinc/40/02/15/1094400215.db2.gz JHAUGYFESZGOLH-LJQANCHMSA-N 2 0 341.499 2.579 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167710666 1094431129 /nfs/dbraw/zinc/43/11/29/1094431129.db2.gz KUEKLWCQYUAFMR-LJQANCHMSA-N 2 0 341.499 2.579 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683606 1094629284 /nfs/dbraw/zinc/62/92/84/1094629284.db2.gz NHJMLMGUFXRRKB-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112021571 1094701789 /nfs/dbraw/zinc/70/17/89/1094701789.db2.gz VDGFTRSZECKVPY-FPOVZHCZSA-N 2 0 341.499 2.665 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001112529927 1094765469 /nfs/dbraw/zinc/76/54/69/1094765469.db2.gz VUJZONRLGMRXIN-HBFSDRIKSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C(C)(C)[C@H]21 ZINC001087295893 1095045223 /nfs/dbraw/zinc/04/52/23/1095045223.db2.gz PYMQDWHEGWTBJW-KURKYZTESA-N 2 0 338.455 2.739 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301451 1095134572 /nfs/dbraw/zinc/13/45/72/1095134572.db2.gz CLXTYVOPICUUEX-KURKYZTESA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301917 1095140749 /nfs/dbraw/zinc/14/07/49/1095140749.db2.gz KKULCTHXCXZXFM-QYZOEREBSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@@H]21 ZINC001087303204 1095161368 /nfs/dbraw/zinc/16/13/68/1095161368.db2.gz HYESMLRGRHDTAK-BHIYHBOVSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ccnc1C(C)C ZINC001087306352 1095191033 /nfs/dbraw/zinc/19/10/33/1095191033.db2.gz HUNZQHDDYJMFLL-BPQIPLTHSA-N 2 0 344.503 2.798 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087306276 1095192004 /nfs/dbraw/zinc/19/20/04/1095192004.db2.gz GWVXAZAXRYUFLZ-BHIYHBOVSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825669 1095212871 /nfs/dbraw/zinc/21/28/71/1095212871.db2.gz SKUOXMRIHOTPNH-AZUAARDMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167833971 1095284910 /nfs/dbraw/zinc/28/49/10/1095284910.db2.gz GUJCKOUFKDNAQK-IRXDYDNUSA-N 2 0 325.497 2.874 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087315059 1095285392 /nfs/dbraw/zinc/28/53/92/1095285392.db2.gz VTZPSXQRXFFVGD-FGTMMUONSA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087315060 1095285818 /nfs/dbraw/zinc/28/58/18/1095285818.db2.gz VTZPSXQRXFFVGD-KURKYZTESA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167833970 1095286761 /nfs/dbraw/zinc/28/67/61/1095286761.db2.gz GUJCKOUFKDNAQK-IAGOWNOFSA-N 2 0 325.497 2.874 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001104752602 1095649068 /nfs/dbraw/zinc/64/90/68/1095649068.db2.gz IHGKVPJCYPFSCM-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167694748 1095750869 /nfs/dbraw/zinc/75/08/69/1095750869.db2.gz RXMRXLVDILLMSU-UHFFFAOYSA-N 2 0 333.520 2.561 20 30 EFEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC000981959071 1095790220 /nfs/dbraw/zinc/79/02/20/1095790220.db2.gz XVIUWFVPHUPDTJ-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981959074 1095791812 /nfs/dbraw/zinc/79/18/12/1095791812.db2.gz XWROJICYYKAVRJ-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167699212 1096004492 /nfs/dbraw/zinc/00/44/92/1096004492.db2.gz GOWKYXIWWDLTAV-FQEVSTJZSA-N 2 0 343.515 2.916 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001167705663 1096090959 /nfs/dbraw/zinc/09/09/59/1096090959.db2.gz OPRJOYHXRBJRQU-UHFFFAOYSA-N 2 0 335.536 2.788 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713231 1096282385 /nfs/dbraw/zinc/28/23/85/1096282385.db2.gz CNSVHJNNYSRNKF-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001482051836 1097184992 /nfs/dbraw/zinc/18/49/92/1097184992.db2.gz QATZJVGJQBZHRF-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001482242274 1098440057 /nfs/dbraw/zinc/44/00/57/1098440057.db2.gz CIMSWOOISZBCLE-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001104897012 1098936227 /nfs/dbraw/zinc/93/62/27/1098936227.db2.gz ZWUSKNFZGXBYDJ-MISYRCLQSA-N 2 0 343.515 2.940 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167759224 1098946988 /nfs/dbraw/zinc/94/69/88/1098946988.db2.gz DPLMZQMNGCJOND-UHFFFAOYSA-N 2 0 330.476 2.604 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524194 1099231563 /nfs/dbraw/zinc/23/15/63/1099231563.db2.gz AGBXIBZUTZKOPO-NSHGMRRFSA-N 2 0 335.536 2.757 20 30 EFEDRP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010513 1099356275 /nfs/dbraw/zinc/35/62/75/1099356275.db2.gz OQBPCKSCZKYYDO-QRVBRYPASA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742507 1099481359 /nfs/dbraw/zinc/48/13/59/1099481359.db2.gz MSPWVOLONLYSAC-CVEARBPZSA-N 2 0 341.927 2.735 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669287 1099494141 /nfs/dbraw/zinc/49/41/41/1099494141.db2.gz RZBXUNBWZZMJCZ-YSIASYRMSA-N 2 0 343.515 2.877 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001105058754 1099505175 /nfs/dbraw/zinc/50/51/75/1099505175.db2.gz WNRUNRRAVXJULK-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001105096890 1099680960 /nfs/dbraw/zinc/68/09/60/1099680960.db2.gz BNCUBQFYTIANKE-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394128 1100386608 /nfs/dbraw/zinc/38/66/08/1100386608.db2.gz OZSADYMVWWCJKC-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001105394454 1100417586 /nfs/dbraw/zinc/41/75/86/1100417586.db2.gz XEAWXURFDDNLFJ-SFHVURJKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001105396643 1100586856 /nfs/dbraw/zinc/58/68/56/1100586856.db2.gz QZERNVRGBFRJQO-HXUWFJFHSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671924 1100652967 /nfs/dbraw/zinc/65/29/67/1100652967.db2.gz WCJLTYHBQGQGBO-RBUKOAKNSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)[C@H]1CC ZINC001087704866 1100676181 /nfs/dbraw/zinc/67/61/81/1100676181.db2.gz LIQPGRYVHZPSJN-NZSAHSFTSA-N 2 0 344.503 2.689 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087723904 1100701807 /nfs/dbraw/zinc/70/18/07/1100701807.db2.gz LUOPXRNRGGSIKS-FRQCXROJSA-N 2 0 339.499 2.744 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167642 1100747596 /nfs/dbraw/zinc/74/75/96/1100747596.db2.gz WMXKPUDGJNVDRT-ZIAGYGMSSA-N 2 0 349.441 2.519 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792205 1100775343 /nfs/dbraw/zinc/77/53/43/1100775343.db2.gz SDBDTRRXVZAFPU-IPMKNSEASA-N 2 0 333.520 2.633 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H]2CC)CC1 ZINC001087840084 1100852964 /nfs/dbraw/zinc/85/29/64/1100852964.db2.gz GZMQYANZZYNSDJ-VQTJNVASSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001482477894 1101142354 /nfs/dbraw/zinc/14/23/54/1101142354.db2.gz DLIGSDSEHCWZKZ-DOTOQJQBSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087993793 1101166957 /nfs/dbraw/zinc/16/69/57/1101166957.db2.gz DBDRBZUBLZNWDP-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087993909 1101168924 /nfs/dbraw/zinc/16/89/24/1101168924.db2.gz JIMINAKBTLAWDM-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020641 1101205874 /nfs/dbraw/zinc/20/58/74/1101205874.db2.gz VNLZFCBEZZRUPO-SJORKVTESA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088028182 1101217284 /nfs/dbraw/zinc/21/72/84/1101217284.db2.gz ZFNMFUYMCHVACH-MSOLQXFVSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001167391032 1101415633 /nfs/dbraw/zinc/41/56/33/1101415633.db2.gz AUXGMKRDULWRRD-KRWDZBQOSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426592 1101584128 /nfs/dbraw/zinc/58/41/28/1101584128.db2.gz UVBMWBCFBRSKJY-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166681 1101727995 /nfs/dbraw/zinc/72/79/95/1101727995.db2.gz NHNKOZDNGKAPNP-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212797 1101893616 /nfs/dbraw/zinc/89/36/16/1101893616.db2.gz QUIMNFPOGMZVMX-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001167168041 1101975950 /nfs/dbraw/zinc/97/59/50/1101975950.db2.gz XCUBKIGAMXVWAM-OAHLLOKOSA-N 2 0 330.476 2.672 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179892 1102003780 /nfs/dbraw/zinc/00/37/80/1102003780.db2.gz UWWDRXNGASIIMJ-HNNXBMFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236272 1102112598 /nfs/dbraw/zinc/11/25/98/1102112598.db2.gz JEZJFUIWPGQJKK-MSOLQXFVSA-N 2 0 335.536 2.807 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001482497314 1102350493 /nfs/dbraw/zinc/35/04/93/1102350493.db2.gz DHLCFBBHLFNREW-ZBFHGGJFSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104373251 1102370071 /nfs/dbraw/zinc/37/00/71/1102370071.db2.gz GIPOYCONVPGLEN-NVXWUHKLSA-N 2 0 340.471 2.907 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001104264777 1102395340 /nfs/dbraw/zinc/39/53/40/1102395340.db2.gz DLGOYSXDCWIPHW-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311851 1102842453 /nfs/dbraw/zinc/84/24/53/1102842453.db2.gz IKOXEJJUKFMQLD-IRXDYDNUSA-N 2 0 341.927 2.973 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001088321994 1102907510 /nfs/dbraw/zinc/90/75/10/1102907510.db2.gz USZVHUMPXKLUJM-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001088338277 1103014656 /nfs/dbraw/zinc/01/46/56/1103014656.db2.gz AHJOLLVOQJKXKM-KRWDZBQOSA-N 2 0 333.520 2.633 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001088339951 1103019068 /nfs/dbraw/zinc/01/90/68/1103019068.db2.gz RXGXZGUYWMFULE-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001088342971 1103035521 /nfs/dbraw/zinc/03/55/21/1103035521.db2.gz ZPDGNCSNCXPYNF-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001271953678 1103229689 /nfs/dbraw/zinc/22/96/89/1103229689.db2.gz KBJLEBRUDXGYPZ-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(Cl)CN1CC[C@]2(NC(=O)[C@H]3CCCc4nccn43)CCC[C@@H]12 ZINC000991065781 1103384918 /nfs/dbraw/zinc/38/49/18/1103384918.db2.gz GORCJYYWPREIPJ-IIDMSEBBSA-N 2 0 348.878 2.626 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991065339 1103401546 /nfs/dbraw/zinc/40/15/46/1103401546.db2.gz FKRCHUJTAUCLEG-NLWGTHIKSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001088414425 1103499867 /nfs/dbraw/zinc/49/98/67/1103499867.db2.gz GRZQXGQYCGWNLW-INIZCTEOSA-N 2 0 330.476 2.698 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001088430470 1103578880 /nfs/dbraw/zinc/57/88/80/1103578880.db2.gz QQCKXSDDZWSIKU-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001088430638 1103580063 /nfs/dbraw/zinc/58/00/63/1103580063.db2.gz UVWHSKBKFQWWJW-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001088430640 1103581252 /nfs/dbraw/zinc/58/12/52/1103581252.db2.gz UVWHSKBKFQWWJW-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881026 1103963699 /nfs/dbraw/zinc/96/36/99/1103963699.db2.gz ABPWGGFIUFSTGY-GBESFXJTSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001105438374 1104098269 /nfs/dbraw/zinc/09/82/69/1104098269.db2.gz FWKWPKGEQBCEDL-IRFCIJBXSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001101596231 1104519392 /nfs/dbraw/zinc/51/93/92/1104519392.db2.gz OOPHJYIXBKDIIU-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428227 1104538944 /nfs/dbraw/zinc/53/89/44/1104538944.db2.gz XFEPWLAAQWWKMA-IRXDYDNUSA-N 2 0 335.536 2.948 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000264112532 1105598307 /nfs/dbraw/zinc/59/83/07/1105598307.db2.gz RHIXUUCJOGBTOC-UONOGXRCSA-N 2 0 334.464 2.551 20 30 EFEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105564212 1105934177 /nfs/dbraw/zinc/93/41/77/1105934177.db2.gz XZDBNVMOSYWDDG-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105564220 1105934405 /nfs/dbraw/zinc/93/44/05/1105934405.db2.gz XZDBNVMOSYWDDG-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H](C)n2ccnc2)CCC1 ZINC001105566745 1105944040 /nfs/dbraw/zinc/94/40/40/1105944040.db2.gz UISNLJXUVWPQEC-MSOLQXFVSA-N 2 0 342.487 2.608 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H](C)n2ccnc2)CCC1 ZINC001105566748 1105944322 /nfs/dbraw/zinc/94/43/22/1105944322.db2.gz UISNLJXUVWPQEC-ZWKOTPCHSA-N 2 0 342.487 2.608 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575203 1105962412 /nfs/dbraw/zinc/96/24/12/1105962412.db2.gz UTPPRRPUZXRDDB-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000898298490 1106312959 /nfs/dbraw/zinc/31/29/59/1106312959.db2.gz NCSSMXURURWWOU-UHFFFAOYSA-N 2 0 334.423 2.531 20 30 EFEDRP C=CCOCc1ncn2c1C[N@H+](C1CCC([NH+](C)C)CC1)CCC2 ZINC001168319240 1106670360 /nfs/dbraw/zinc/67/03/60/1106670360.db2.gz PPANDUBKVVAKDD-UHFFFAOYSA-N 2 0 332.492 2.664 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825856 1106699684 /nfs/dbraw/zinc/69/96/84/1106699684.db2.gz KDZNMRMLNQOJOE-WMLDXEAASA-N 2 0 335.879 2.693 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168321653 1106719630 /nfs/dbraw/zinc/71/96/30/1106719630.db2.gz JSQKTNKIGNHFEY-QLOJAFMTSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862605 1106762094 /nfs/dbraw/zinc/76/20/94/1106762094.db2.gz JCPKQDWJSOWVGD-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991022713 1107089721 /nfs/dbraw/zinc/08/97/21/1107089721.db2.gz VYYCNYAAUBAPCC-QWFCFKBJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001168335904 1107170026 /nfs/dbraw/zinc/17/00/26/1107170026.db2.gz ZJAUCBAJTDRKHH-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971096 1107178050 /nfs/dbraw/zinc/17/80/50/1107178050.db2.gz BTFTZLKWRUXDGB-APWZRJJASA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075973062 1108521303 /nfs/dbraw/zinc/52/13/03/1108521303.db2.gz WWIPMNXDLRLRSO-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036679 1108600654 /nfs/dbraw/zinc/60/06/54/1108600654.db2.gz YHBWWVAUFJLKRX-OFLPRAFFSA-N 2 0 341.927 2.734 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088770072 1108726786 /nfs/dbraw/zinc/72/67/86/1108726786.db2.gz WLZFZDZIYUCNBS-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088812189 1109103998 /nfs/dbraw/zinc/10/39/98/1109103998.db2.gz RAFGZGKHQFGQMV-NZSAHSFTSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(Cl)CN1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076604094 1109943892 /nfs/dbraw/zinc/94/38/92/1109943892.db2.gz LQIBRXSZWROOOO-ZWKOTPCHSA-N 2 0 347.890 2.647 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248395 1111216725 /nfs/dbraw/zinc/21/67/25/1111216725.db2.gz OCFMGWMVSXCPRV-CEXWTWQISA-N 2 0 335.536 2.615 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370814 1111468017 /nfs/dbraw/zinc/46/80/17/1111468017.db2.gz BMDQZBVJYOTRND-FGTMMUONSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588329 1111657726 /nfs/dbraw/zinc/65/77/26/1111657726.db2.gz PJFOJXBLFSSVPF-JFIYKMOQSA-N 2 0 347.503 2.994 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001106660663 1111706321 /nfs/dbraw/zinc/70/63/21/1111706321.db2.gz WLXJXGZIUYMYFA-FVQBIDKESA-N 2 0 329.916 2.543 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673598 1111712260 /nfs/dbraw/zinc/71/22/60/1111712260.db2.gz IDUYERVJJZGCHU-KURKYZTESA-N 2 0 325.541 2.981 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729170 1111770774 /nfs/dbraw/zinc/77/07/74/1111770774.db2.gz LCJRVVXCECGEHA-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728694 1111770840 /nfs/dbraw/zinc/77/08/40/1111770840.db2.gz NPBRBZDXMLYNSD-HYVNUMGLSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797277 1111846762 /nfs/dbraw/zinc/84/67/62/1111846762.db2.gz MARQQEHROGMMLX-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797276 1111846859 /nfs/dbraw/zinc/84/68/59/1111846859.db2.gz MARQQEHROGMMLX-CEXWTWQISA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001106860374 1111918186 /nfs/dbraw/zinc/91/81/86/1111918186.db2.gz WSCWZJCOXWRMNA-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389017 1112054702 /nfs/dbraw/zinc/05/47/02/1112054702.db2.gz JLITUJNGZWIDFG-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402090 1112071837 /nfs/dbraw/zinc/07/18/37/1112071837.db2.gz BBXQXWGLKYIXOU-OALUTQOASA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402089 1112072127 /nfs/dbraw/zinc/07/21/27/1112072127.db2.gz BBXQXWGLKYIXOU-MOPGFXCFSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402429 1112072841 /nfs/dbraw/zinc/07/28/41/1112072841.db2.gz GRPDNMQYGIAAMR-ZWKOTPCHSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403366 1112073320 /nfs/dbraw/zinc/07/33/20/1112073320.db2.gz RLCKEAXTVJHPKW-RTBURBONSA-N 2 0 347.547 2.594 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089403361 1112073780 /nfs/dbraw/zinc/07/37/80/1112073780.db2.gz RLCKEAXTVJHPKW-OALUTQOASA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001112413202 1112100234 /nfs/dbraw/zinc/10/02/34/1112100234.db2.gz BPNICVVAHHFIGM-BJLQDIEVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429709 1112119756 /nfs/dbraw/zinc/11/97/56/1112119756.db2.gz DWOFWZYKGXTQHO-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089471763 1112196467 /nfs/dbraw/zinc/19/64/67/1112196467.db2.gz ABFPOAYKONROGY-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477910 1112202834 /nfs/dbraw/zinc/20/28/34/1112202834.db2.gz PEIFNCYOHJPULL-QGZVFWFLSA-N 2 0 345.487 2.585 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511252 1112255510 /nfs/dbraw/zinc/25/55/10/1112255510.db2.gz OYAGIMOWQAIVQB-OALUTQOASA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533769 1112279219 /nfs/dbraw/zinc/27/92/19/1112279219.db2.gz JMANOMUSINQEIW-LJQANCHMSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC(C)(C)C1 ZINC001089538608 1112284257 /nfs/dbraw/zinc/28/42/57/1112284257.db2.gz XLCPFKOCBQWIKY-MOPGFXCFSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641268 1112432120 /nfs/dbraw/zinc/43/21/20/1112432120.db2.gz KLBYCDNZANQINE-OALUTQOASA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649141 1112464497 /nfs/dbraw/zinc/46/44/97/1112464497.db2.gz BZFGDQYOWQVSEQ-ZWKOTPCHSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650082 1112474718 /nfs/dbraw/zinc/47/47/18/1112474718.db2.gz UFKDSXJQKUGCOU-RTBURBONSA-N 2 0 347.547 2.594 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663160 1112604962 /nfs/dbraw/zinc/60/49/62/1112604962.db2.gz HWYHHHFJWHLLIZ-RTBURBONSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089663658 1112607428 /nfs/dbraw/zinc/60/74/28/1112607428.db2.gz RSHRIMYXFOBJEJ-RBUKOAKNSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663975 1112607825 /nfs/dbraw/zinc/60/78/25/1112607825.db2.gz BRUSGFOEOQSFHV-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089663896 1112608292 /nfs/dbraw/zinc/60/82/92/1112608292.db2.gz BAEDKXUFIPJGMB-INIZCTEOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001089660926 1112608741 /nfs/dbraw/zinc/60/87/41/1112608741.db2.gz RVPCBUKHUMXBJA-OAHLLOKOSA-N 2 0 348.491 2.533 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089665142 1112619755 /nfs/dbraw/zinc/61/97/55/1112619755.db2.gz VHSZDDDEBXESPJ-QGZVFWFLSA-N 2 0 338.455 2.578 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705768 1112857908 /nfs/dbraw/zinc/85/79/08/1112857908.db2.gz JJBIZSRNCUQHCF-OALUTQOASA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718151 1112928441 /nfs/dbraw/zinc/92/84/41/1112928441.db2.gz LHITVCSVISWVFH-IBGZPJMESA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001089845167 1118241670 /nfs/dbraw/zinc/24/16/70/1118241670.db2.gz DCBUILSMDYTHBU-VJANTYMQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCCC[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001272701004 1118603379 /nfs/dbraw/zinc/60/33/79/1118603379.db2.gz AYKCVYCWJVNFGF-SFHVURJKSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474625 1119048818 /nfs/dbraw/zinc/04/88/18/1119048818.db2.gz XYDFXFFIQKWVFX-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942723991 1119087016 /nfs/dbraw/zinc/08/70/16/1119087016.db2.gz RUTQPGZLMIPUCK-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875268 1119765952 /nfs/dbraw/zinc/76/59/52/1119765952.db2.gz CVPYFFILRXAFIV-QFBILLFUSA-N 2 0 338.455 2.889 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943875587 1119766239 /nfs/dbraw/zinc/76/62/39/1119766239.db2.gz FBQUSAKFGMGYPL-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000943875265 1119766418 /nfs/dbraw/zinc/76/64/18/1119766418.db2.gz CVPYFFILRXAFIV-APWZRJJASA-N 2 0 338.455 2.889 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037393 1120033683 /nfs/dbraw/zinc/03/36/83/1120033683.db2.gz CHQVNKZNBMOEMU-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001107037490 1120033745 /nfs/dbraw/zinc/03/37/45/1120033745.db2.gz LTGDFVARBBXHBE-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028592 1120518904 /nfs/dbraw/zinc/51/89/04/1120518904.db2.gz KAEHQECSCMLUQU-KBXCAEBGSA-N 2 0 349.906 2.941 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945031156 1120522712 /nfs/dbraw/zinc/52/27/12/1120522712.db2.gz ZFTZAFGILOEEAM-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089881 1120559804 /nfs/dbraw/zinc/55/98/04/1120559804.db2.gz IRJVJIJWIMNDJX-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089883 1120560152 /nfs/dbraw/zinc/56/01/52/1120560152.db2.gz IRJVJIJWIMNDJX-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC000945183883 1120664003 /nfs/dbraw/zinc/66/40/03/1120664003.db2.gz UGTMHDQEBQHKAD-XLIONFOSSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC000945183886 1120664036 /nfs/dbraw/zinc/66/40/36/1120664036.db2.gz UGTMHDQEBQHKAD-YLJYHZDGSA-N 2 0 347.547 2.594 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174284710 529774246 /nfs/dbraw/zinc/77/42/46/529774246.db2.gz YGUGWAJPRGFLTC-UHFFFAOYSA-N 2 0 328.504 2.854 20 30 EFEDRP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000180988303 234052612 /nfs/dbraw/zinc/05/26/12/234052612.db2.gz YQIHWQPGRAAXRB-OAQYLSRUSA-N 2 0 335.451 2.805 20 30 EFEDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1 ZINC000181515981 234212994 /nfs/dbraw/zinc/21/29/94/234212994.db2.gz YXYZCERJQZBIIH-INIZCTEOSA-N 2 0 335.455 2.556 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000422972900 283159803 /nfs/dbraw/zinc/15/98/03/283159803.db2.gz AVUJIUMBPKSWDX-BQFCYCMXSA-N 2 0 330.451 2.773 20 30 EFEDRP C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000262438356 240354172 /nfs/dbraw/zinc/35/41/72/240354172.db2.gz MMRJMRGWYJUZQF-HKUYNNGSSA-N 2 0 328.504 2.655 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)NC1CC[NH+](C(C)C)CC1 ZINC000262438358 240354553 /nfs/dbraw/zinc/35/45/53/240354553.db2.gz MMRJMRGWYJUZQF-IEBWSBKVSA-N 2 0 328.504 2.655 20 30 EFEDRP CCO[C@@H]1C[C@@H](NC(NC2CC[NH+](C3CC3)CC2)=[NH+]C)C12CCCC2 ZINC000262466442 240356853 /nfs/dbraw/zinc/35/68/53/240356853.db2.gz YINGMRYGUSXUTH-QZTJIDSGSA-N 2 0 348.535 2.516 20 30 EFEDRP C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262772172 240367492 /nfs/dbraw/zinc/36/74/92/240367492.db2.gz JBSTXJPJMHPRFE-INIZCTEOSA-N 2 0 348.491 2.569 20 30 EFEDRP CC[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CCC(C)CC1 ZINC000262756896 240367612 /nfs/dbraw/zinc/36/76/12/240367612.db2.gz BXBHKPGXTBKWFM-UHFFFAOYSA-N 2 0 338.540 2.573 20 30 EFEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719258 216299190 /nfs/dbraw/zinc/29/91/90/216299190.db2.gz JWBGUPIXKISLNU-GOSISDBHSA-N 2 0 340.471 2.695 20 30 EFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072803514 216308955 /nfs/dbraw/zinc/30/89/55/216308955.db2.gz KVLJAYLMZQKBMG-INIZCTEOSA-N 2 0 328.460 2.551 20 30 EFEDRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000178573669 239423215 /nfs/dbraw/zinc/42/32/15/239423215.db2.gz CCIYNEPJUSEOKL-UHFFFAOYSA-N 2 0 330.354 2.798 20 30 EFEDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CC[NH+](C)CC1 ZINC000194261982 240147316 /nfs/dbraw/zinc/14/73/16/240147316.db2.gz ACYHLARIENXOOR-FXAWDEMLSA-N 2 0 344.503 2.512 20 30 EFEDRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OCCCC#N ZINC000237425912 240243016 /nfs/dbraw/zinc/24/30/16/240243016.db2.gz HFECVWQUSIXQOQ-QGZVFWFLSA-N 2 0 343.471 2.952 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000249744108 240302626 /nfs/dbraw/zinc/30/26/26/240302626.db2.gz BFRSSAHQFIDGSH-DLBZAZTESA-N 2 0 329.488 2.699 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCS[C@H](C(C)C)C1 ZINC000261793618 240325123 /nfs/dbraw/zinc/32/51/23/240325123.db2.gz QRBSFPXRSSTTMP-IRXDYDNUSA-N 2 0 340.581 2.756 20 30 EFEDRP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000261980752 240336459 /nfs/dbraw/zinc/33/64/59/240336459.db2.gz HWXVEZMLGUOTLL-UHFFFAOYSA-N 2 0 348.516 2.783 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)NC[C@]1(C)CCCS1 ZINC000262002713 240340570 /nfs/dbraw/zinc/34/05/70/240340570.db2.gz UUQBKFUHQBPZTC-RDJZCZTQSA-N 2 0 326.554 2.558 20 30 EFEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)N(C)C ZINC000262059687 240343022 /nfs/dbraw/zinc/34/30/22/240343022.db2.gz YNOKTRNWBULMCL-CZUORRHYSA-N 2 0 340.874 2.951 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000298880779 241161131 /nfs/dbraw/zinc/16/11/31/241161131.db2.gz NXVBLWQDZQILEI-IAGOWNOFSA-N 2 0 329.488 2.841 20 30 EFEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000361459953 242223785 /nfs/dbraw/zinc/22/37/85/242223785.db2.gz OOMPRLFGNVHSGA-PKOBYXMFSA-N 2 0 345.487 2.816 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1sccc1C#N)CC[C@H]1CCCC[NH+]1C ZINC000441350666 250021608 /nfs/dbraw/zinc/02/16/08/250021608.db2.gz CBECQLORRRHUOH-OAHLLOKOSA-N 2 0 334.489 2.755 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442709590 250105387 /nfs/dbraw/zinc/10/53/87/250105387.db2.gz OQZIASXRMOSJCO-YLJYHZDGSA-N 2 0 326.488 2.606 20 30 EFEDRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000442727063 250108112 /nfs/dbraw/zinc/10/81/12/250108112.db2.gz VJDUPBVAKLZZRK-RLLQIKCJSA-N 2 0 326.488 2.647 20 30 EFEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000442896887 250137510 /nfs/dbraw/zinc/13/75/10/250137510.db2.gz LQCHKXDHUROJKD-UWVAXJGDSA-N 2 0 326.488 2.577 20 30 EFEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868596 221198787 /nfs/dbraw/zinc/19/87/87/221198787.db2.gz NWHNUNNRZKUGNW-OAHLLOKOSA-N 2 0 328.460 2.549 20 30 EFEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999543 285664218 /nfs/dbraw/zinc/66/42/18/285664218.db2.gz SPKRJHUTJRFDSK-SJLPKXTDSA-N 2 0 343.471 2.942 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343557439 145237928 /nfs/dbraw/zinc/23/79/28/145237928.db2.gz VRXSUDUHFTWPRE-PXNSSMCTSA-N 2 0 329.488 2.827 20 30 EFEDRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144070 145378057 /nfs/dbraw/zinc/37/80/57/145378057.db2.gz SSCKHZLESGCNEP-LAUBAEHRSA-N 2 0 335.451 2.846 20 30 EFEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000368330004 150095872 /nfs/dbraw/zinc/09/58/72/150095872.db2.gz FRIVJDSLVDONNW-UHFFFAOYSA-N 2 0 344.478 2.547 20 30 EFEDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172973 151126432 /nfs/dbraw/zinc/12/64/32/151126432.db2.gz LSAUEMCOFLZPST-ICSRJNTNSA-N 2 0 326.488 2.767 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264092873 286323520 /nfs/dbraw/zinc/32/35/20/286323520.db2.gz LNXQZPHVQZTUJP-OAHLLOKOSA-N 2 0 348.491 2.943 20 30 EFEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121892249 544599441 /nfs/dbraw/zinc/59/94/41/544599441.db2.gz BUTGFCIABZMCMB-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966605 266149775 /nfs/dbraw/zinc/14/97/75/266149775.db2.gz VQSCWRRQPTYGSK-MRXNPFEDSA-N 2 0 332.467 2.766 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211308 266155236 /nfs/dbraw/zinc/15/52/36/266155236.db2.gz WAJFNMSCJLJKDU-YJBOKZPZSA-N 2 0 328.460 2.691 20 30 EFEDRP CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000515165033 267220491 /nfs/dbraw/zinc/22/04/91/267220491.db2.gz MNCLNIYUHGBOID-FOIPXRHGSA-N 2 0 328.460 2.763 20 30 EFEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245975751 278134602 /nfs/dbraw/zinc/13/46/02/278134602.db2.gz GDPIBQVANRMVDI-QZTJIDSGSA-N 2 0 348.535 2.723 20 30 EFEDRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000186974958 278395522 /nfs/dbraw/zinc/39/55/22/278395522.db2.gz OSRJQTBUCMKSGL-CQSZACIVSA-N 2 0 335.879 2.736 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000576911148 320059212 /nfs/dbraw/zinc/05/92/12/320059212.db2.gz IHWABEQNUWKZFB-RBBKRZOGSA-N 2 0 347.462 2.902 20 30 EFEDRP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)NC1CCCCC1 ZINC000190536837 473311003 /nfs/dbraw/zinc/31/10/03/473311003.db2.gz DWAZMTPLBTXPRA-IBGZPJMESA-N 2 0 344.503 2.515 20 30 EFEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000083029687 473314914 /nfs/dbraw/zinc/31/49/14/473314914.db2.gz SBAWPNPDGRFPHD-UHFFFAOYSA-N 2 0 330.398 2.698 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C[NH+]1CCCCC1 ZINC000083032972 473317521 /nfs/dbraw/zinc/31/75/21/473317521.db2.gz LXLUJIUKZJASMC-RDJZCZTQSA-N 2 0 330.476 2.537 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000103337623 472627388 /nfs/dbraw/zinc/62/73/88/472627388.db2.gz OROJARPEFIUFHG-GOSISDBHSA-N 2 0 326.444 2.782 20 30 EFEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072585191 472683226 /nfs/dbraw/zinc/68/32/26/472683226.db2.gz BUVBMIHJQWRBQH-UHFFFAOYSA-N 2 0 328.460 2.691 20 30 EFEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720099 472707042 /nfs/dbraw/zinc/70/70/42/472707042.db2.gz FXXKSFQARHPTKL-GOSISDBHSA-N 2 0 340.471 2.695 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132455148 472735290 /nfs/dbraw/zinc/73/52/90/472735290.db2.gz YWAFZYDTHKJYSH-WIYYLYMNSA-N 2 0 343.515 2.621 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000106340668 472842636 /nfs/dbraw/zinc/84/26/36/472842636.db2.gz QFKMZNXHWPLRBJ-UHFFFAOYSA-N 2 0 336.524 2.543 20 30 EFEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccccc1Cl ZINC000073763038 472871586 /nfs/dbraw/zinc/87/15/86/472871586.db2.gz CSZLHWHYDCDBLH-AWEZNQCLSA-N 2 0 334.895 2.832 20 30 EFEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121798131 472916849 /nfs/dbraw/zinc/91/68/49/472916849.db2.gz ROXZNYDDVMKHRR-SFHVURJKSA-N 2 0 348.535 2.583 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000092587514 472942162 /nfs/dbraw/zinc/94/21/62/472942162.db2.gz IUORRFANMJMRSL-GASCZTMLSA-N 2 0 333.501 2.941 20 30 EFEDRP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C#N ZINC000135114495 473023015 /nfs/dbraw/zinc/02/30/15/473023015.db2.gz JOQWSOITZREYJK-UHFFFAOYSA-N 2 0 343.471 2.644 20 30 EFEDRP C=C(C)C[N@@H+](CC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000051559869 473056469 /nfs/dbraw/zinc/05/64/69/473056469.db2.gz CCYNTIMQYRHDQV-UHFFFAOYSA-N 2 0 343.515 2.927 20 30 EFEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000109025623 473074396 /nfs/dbraw/zinc/07/43/96/473074396.db2.gz XYNUHUZIGDXEPB-UHFFFAOYSA-N 2 0 334.489 2.612 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160158130 473092018 /nfs/dbraw/zinc/09/20/18/473092018.db2.gz HBMBVPJPKBWBAI-LORHWOILSA-N 2 0 344.478 2.984 20 30 EFEDRP C=CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111256998 473199818 /nfs/dbraw/zinc/19/98/18/473199818.db2.gz VIVZRRYYJYXWQT-PXNSSMCTSA-N 2 0 341.499 2.664 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185782169 473512856 /nfs/dbraw/zinc/51/28/56/473512856.db2.gz QGBQXAMXPBUSCR-RTWAWAEBSA-N 2 0 340.515 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602292 /nfs/dbraw/zinc/60/22/92/473602292.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 2 0 337.552 2.754 20 30 EFEDRP COc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]2CCCCC2)cc1 ZINC000263261682 473746529 /nfs/dbraw/zinc/74/65/29/473746529.db2.gz SURPRJLVBJWNCJ-GOSISDBHSA-N 2 0 332.492 2.701 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017720 473828506 /nfs/dbraw/zinc/82/85/06/473828506.db2.gz WUUAZTHKYRAEMC-KRWDZBQOSA-N 2 0 329.488 2.699 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CCN(Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263762024 473837536 /nfs/dbraw/zinc/83/75/36/473837536.db2.gz QUXHJKCQOYNCER-CALCHBBNSA-N 2 0 327.472 2.879 20 30 EFEDRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000180275934 473843635 /nfs/dbraw/zinc/84/36/35/473843635.db2.gz ZHJFEOZCZAJNGZ-UHFFFAOYSA-N 2 0 336.439 2.968 20 30 EFEDRP CC(C)[NH+]1CCC(N2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000269684815 473859573 /nfs/dbraw/zinc/85/95/73/473859573.db2.gz UVFFAZVWRNYOPZ-UHFFFAOYSA-N 2 0 326.488 2.549 20 30 EFEDRP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000264106921 473951042 /nfs/dbraw/zinc/95/10/42/473951042.db2.gz PVYNGSGROLVFDS-GHMZBOCLSA-N 2 0 329.275 2.910 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000264147270 473954048 /nfs/dbraw/zinc/95/40/48/473954048.db2.gz YEVDYHSWMARKDJ-CVEARBPZSA-N 2 0 332.492 2.500 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000264147274 473954260 /nfs/dbraw/zinc/95/42/60/473954260.db2.gz YEVDYHSWMARKDJ-HZPDHXFCSA-N 2 0 332.492 2.500 20 30 EFEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000264277031 473958435 /nfs/dbraw/zinc/95/84/35/473958435.db2.gz MYRVZEVTSBWQIE-UHFFFAOYSA-N 2 0 332.492 2.754 20 30 EFEDRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270562230 474170238 /nfs/dbraw/zinc/17/02/38/474170238.db2.gz KDWXRTDGNDTHSY-DOMZBBRYSA-N 2 0 326.847 2.786 20 30 EFEDRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270562235 474170787 /nfs/dbraw/zinc/17/07/87/474170787.db2.gz KDWXRTDGNDTHSY-IUODEOHRSA-N 2 0 326.847 2.786 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000236656524 474277202 /nfs/dbraw/zinc/27/72/02/474277202.db2.gz WYEZIWUIQTWVAX-IPQPSQTFSA-N 2 0 333.520 2.722 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000236688927 474281133 /nfs/dbraw/zinc/28/11/33/474281133.db2.gz WXUFZMBYYMHEDQ-WOJBJXKFSA-N 2 0 341.499 2.516 20 30 EFEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438594 474324047 /nfs/dbraw/zinc/32/40/47/474324047.db2.gz HWNWJUPYNNDOMH-HRAATJIYSA-N 2 0 335.451 2.976 20 30 EFEDRP C#Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000290030506 474533949 /nfs/dbraw/zinc/53/39/49/474533949.db2.gz NIWPTABIBZTLFQ-UHFFFAOYSA-N 2 0 325.500 2.658 20 30 EFEDRP C=CCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000276462781 474553442 /nfs/dbraw/zinc/55/34/42/474553442.db2.gz QTKAUIRZWQOPQS-UHFFFAOYSA-N 2 0 329.488 2.537 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000276687057 474569018 /nfs/dbraw/zinc/56/90/18/474569018.db2.gz USEILLWVPPEMKG-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000271509008 474575969 /nfs/dbraw/zinc/57/59/69/474575969.db2.gz RZELUMSTVBXUGZ-YLJYHZDGSA-N 2 0 345.487 2.816 20 30 EFEDRP C[N@H+](CC(C)(C)CCC#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190319534 474578082 /nfs/dbraw/zinc/57/80/82/474578082.db2.gz OHVVBAFVJBZBSS-FQEVSTJZSA-N 2 0 329.488 2.885 20 30 EFEDRP C[C@H]1C[N@H+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CCCO1 ZINC000277196444 474579407 /nfs/dbraw/zinc/57/94/07/474579407.db2.gz DJIHTROSDLRIPB-INIZCTEOSA-N 2 0 344.503 2.793 20 30 EFEDRP CC(C)c1cccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)c1 ZINC000267304665 474643738 /nfs/dbraw/zinc/64/37/38/474643738.db2.gz KRVDZJMBZPRMGH-UHFFFAOYSA-N 2 0 331.508 2.563 20 30 EFEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000267456683 474669893 /nfs/dbraw/zinc/66/98/93/474669893.db2.gz TWNSUYKIPKNABT-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP CCCCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267458914 474672348 /nfs/dbraw/zinc/67/23/48/474672348.db2.gz UKOGFBFTGCIACS-UHFFFAOYSA-N 2 0 346.519 2.628 20 30 EFEDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278719729 474795908 /nfs/dbraw/zinc/79/59/08/474795908.db2.gz MCVIVNHQUMMKLJ-FXAWDEMLSA-N 2 0 328.504 2.873 20 30 EFEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339014328 474835034 /nfs/dbraw/zinc/83/50/34/474835034.db2.gz RFFOQTZXAVWEGI-ICSRJNTNSA-N 2 0 332.536 2.807 20 30 EFEDRP C=CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268398654 474957520 /nfs/dbraw/zinc/95/75/20/474957520.db2.gz BHPXQYVJJXBYSB-UHFFFAOYSA-N 2 0 348.487 2.585 20 30 EFEDRP [NH2+]=C(NCCN1CC=CCC1)Nc1ccccc1OC(F)(F)F ZINC000279983789 475003110 /nfs/dbraw/zinc/00/31/10/475003110.db2.gz LBJYTXBELFHHPA-UHFFFAOYSA-N 2 0 328.338 2.574 20 30 EFEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281888 475058976 /nfs/dbraw/zinc/05/89/76/475058976.db2.gz VUNVYGVMSDWOCY-AZUAARDMSA-N 2 0 326.488 2.989 20 30 EFEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268967154 475101383 /nfs/dbraw/zinc/10/13/83/475101383.db2.gz HJJBLQWZTWOTRV-HNNXBMFYSA-N 2 0 338.879 2.925 20 30 EFEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1=O ZINC000281326635 475170973 /nfs/dbraw/zinc/17/09/73/475170973.db2.gz VLXKWRYSUAWSHC-PXNSSMCTSA-N 2 0 341.499 2.938 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCc2nccn21)C(C)C ZINC000352607254 475455995 /nfs/dbraw/zinc/45/59/95/475455995.db2.gz RBVZRVQOROERMR-IAGOWNOFSA-N 2 0 330.476 2.575 20 30 EFEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000361459951 475464844 /nfs/dbraw/zinc/46/48/44/475464844.db2.gz OOMPRLFGNVHSGA-IEBWSBKVSA-N 2 0 345.487 2.816 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342110331 475557376 /nfs/dbraw/zinc/55/73/76/475557376.db2.gz SAPHURYFINHFJX-ONIAQPFYSA-N 2 0 347.528 2.710 20 30 EFEDRP C=C(C)COc1cc(C[N@H+](C)C2CCN(CCO)CC2)ccc1OC ZINC000353362442 475903270 /nfs/dbraw/zinc/90/32/70/475903270.db2.gz FQKLQDFNYIELTP-UHFFFAOYSA-N 2 0 348.487 2.539 20 30 EFEDRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000347011103 476030611 /nfs/dbraw/zinc/03/06/11/476030611.db2.gz IVENKFAQFMHVTL-INIZCTEOSA-N 2 0 344.503 2.615 20 30 EFEDRP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353565850 476084614 /nfs/dbraw/zinc/08/46/14/476084614.db2.gz KTWDEHDBOKKSAG-KRWDZBQOSA-N 2 0 328.504 2.841 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350951662 476318007 /nfs/dbraw/zinc/31/80/07/476318007.db2.gz QORZYKJGKICIME-INIZCTEOSA-N 2 0 349.544 2.925 20 30 EFEDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172974 476380519 /nfs/dbraw/zinc/38/05/19/476380519.db2.gz LSAUEMCOFLZPST-QUCCMNQESA-N 2 0 326.488 2.767 20 30 EFEDRP Fc1ccc(C#CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000363517026 476419763 /nfs/dbraw/zinc/41/97/63/476419763.db2.gz FDVMLTXBBDIHRL-UHFFFAOYSA-N 2 0 330.447 2.612 20 30 EFEDRP C=C(C)CN1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981435 476877492 /nfs/dbraw/zinc/87/74/92/476877492.db2.gz SURFNCYAELCFKN-FPOVZHCZSA-N 3 0 341.499 2.872 20 30 EFEDRP C=CCOc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415122266 476908559 /nfs/dbraw/zinc/90/85/59/476908559.db2.gz JRXARCUTZJBMTE-AZUAARDMSA-N 2 0 330.472 2.970 20 30 EFEDRP C=CCOc1ccc(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)cc1 ZINC000423105975 476929094 /nfs/dbraw/zinc/92/90/94/476929094.db2.gz NZBHDVAQVVUIKI-INIZCTEOSA-N 2 0 346.471 2.662 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034469 476965846 /nfs/dbraw/zinc/96/58/46/476965846.db2.gz WZBWMXQFMAYOMT-INIZCTEOSA-N 2 0 347.528 2.727 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415909867 476967377 /nfs/dbraw/zinc/96/73/77/476967377.db2.gz UJRHQGMPQKSTIM-UHFFFAOYSA-N 2 0 330.476 2.958 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416147182 477039831 /nfs/dbraw/zinc/03/98/31/477039831.db2.gz AEYLNWYWXVWYGW-IBGZPJMESA-N 2 0 329.488 2.836 20 30 EFEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578242 477074468 /nfs/dbraw/zinc/07/44/68/477074468.db2.gz UIAZDOGXTJOTHP-MOPGFXCFSA-N 2 0 326.488 2.652 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366718935 477150001 /nfs/dbraw/zinc/15/00/01/477150001.db2.gz DEBHNRBUNGZUCY-LJQANCHMSA-N 2 0 348.535 2.733 20 30 EFEDRP Cc1c(Cl)cnc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000366764104 477174393 /nfs/dbraw/zinc/17/43/93/477174393.db2.gz AQYVSCPFLUWONI-HNNXBMFYSA-N 2 0 347.894 2.520 20 30 EFEDRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2)CC1 ZINC000424131701 477302125 /nfs/dbraw/zinc/30/21/25/477302125.db2.gz JQNZWAFOSHYXBF-MOPGFXCFSA-N 2 0 342.487 2.597 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424132547 477303140 /nfs/dbraw/zinc/30/31/40/477303140.db2.gz KWPJQZXEXQVTIW-LPHOPBHVSA-N 2 0 342.487 2.698 20 30 EFEDRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCC1)c1ccccc1 ZINC000424149881 477309627 /nfs/dbraw/zinc/30/96/27/477309627.db2.gz XSTIHVGSVOLMBC-SJLPKXTDSA-N 2 0 342.487 2.787 20 30 EFEDRP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298142 477671624 /nfs/dbraw/zinc/67/16/24/477671624.db2.gz GVBWOMKEVCEHBL-SJORKVTESA-N 2 0 340.475 2.601 20 30 EFEDRP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329128 477697737 /nfs/dbraw/zinc/69/77/37/477697737.db2.gz GIBZYICGSLBDQM-IYBDPMFKSA-N 2 0 345.512 2.835 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340485 477709720 /nfs/dbraw/zinc/70/97/20/477709720.db2.gz PMZXWMWTQVKRGJ-ZACQAIPSSA-N 2 0 347.528 2.583 20 30 EFEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000420984871 477877651 /nfs/dbraw/zinc/87/76/51/477877651.db2.gz UZGWRNIZLNZYFC-UHFFFAOYSA-N 2 0 326.488 2.550 20 30 EFEDRP CC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000561491772 478190027 /nfs/dbraw/zinc/19/00/27/478190027.db2.gz DUPFVFFXEGUQAW-UHFFFAOYSA-N 2 0 340.515 2.844 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488838805 478190292 /nfs/dbraw/zinc/19/02/92/478190292.db2.gz DXMXQIUKFMQFGH-QGZVFWFLSA-N 2 0 348.535 2.543 20 30 EFEDRP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCCC2)cc1 ZINC000594436290 478386361 /nfs/dbraw/zinc/38/63/61/478386361.db2.gz CUEOMNAOIQBPIY-RBUKOAKNSA-N 2 0 342.487 2.659 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000562988657 478404104 /nfs/dbraw/zinc/40/41/04/478404104.db2.gz AECONDRSTCNBAN-GBESFXJTSA-N 2 0 332.488 2.617 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000570795001 478447309 /nfs/dbraw/zinc/44/73/09/478447309.db2.gz KLCFUHAJHOBAIA-ACBHZAAOSA-N 2 0 332.488 2.617 20 30 EFEDRP CC1(C#N)CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000570912639 478477735 /nfs/dbraw/zinc/47/77/35/478477735.db2.gz BIIKIVTZXUDUKL-GPJFCIFZSA-N 2 0 327.472 2.815 20 30 EFEDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)CC[NH2+]CC1 ZINC000591570920 478583092 /nfs/dbraw/zinc/58/30/92/478583092.db2.gz BTYQNOGLQFZSSD-GJZGRUSLSA-N 2 0 329.444 2.530 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595056301 478642681 /nfs/dbraw/zinc/64/26/81/478642681.db2.gz UQMLXOYODPSGQE-YLJYHZDGSA-N 2 0 329.488 2.827 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595056298 478642765 /nfs/dbraw/zinc/64/27/65/478642765.db2.gz UQMLXOYODPSGQE-FXAWDEMLSA-N 2 0 329.488 2.827 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000571994235 478725893 /nfs/dbraw/zinc/72/58/93/478725893.db2.gz NHZVWJDJJPHNDY-HXUWFJFHSA-N 2 0 344.499 2.761 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000592075760 478767139 /nfs/dbraw/zinc/76/71/39/478767139.db2.gz MZNYFYSMJWVBCM-UHFFFAOYSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000564859958 478835745 /nfs/dbraw/zinc/83/57/45/478835745.db2.gz KYVOOCJIALITLI-LJQANCHMSA-N 2 0 337.423 2.592 20 30 EFEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC(C)(C)C#N ZINC000598599263 478920317 /nfs/dbraw/zinc/92/03/17/478920317.db2.gz IOJRLMDLCTXXCB-LJQANCHMSA-N 2 0 344.503 2.921 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000598618395 478928921 /nfs/dbraw/zinc/92/89/21/478928921.db2.gz XKJNMYCFSLCLSK-TZIWHRDSSA-N 2 0 341.499 2.885 20 30 EFEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000584166908 479036715 /nfs/dbraw/zinc/03/67/15/479036715.db2.gz PGVPSEHRDZWCQY-USXIJHARSA-N 2 0 330.451 2.644 20 30 EFEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392432 479365344 /nfs/dbraw/zinc/36/53/44/479365344.db2.gz VKHANIXLEPABFY-UTKZUKDTSA-N 2 0 340.515 2.799 20 30 EFEDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390848 479365460 /nfs/dbraw/zinc/36/54/60/479365460.db2.gz UZIPOKHCKCEDKH-OXQOHEQNSA-N 2 0 326.488 2.551 20 30 EFEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392110 479366121 /nfs/dbraw/zinc/36/61/21/479366121.db2.gz LZUZVIYGSJRPAW-NRFANRHFSA-N 2 0 340.515 2.799 20 30 EFEDRP N#Cc1ccc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000596652967 479373503 /nfs/dbraw/zinc/37/35/03/479373503.db2.gz XLJLQNRUSWYNAA-FPOVZHCZSA-N 2 0 333.435 2.946 20 30 EFEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000602515913 479377534 /nfs/dbraw/zinc/37/75/34/479377534.db2.gz DUZOMRKTLKQKMQ-KRWDZBQOSA-N 2 0 345.487 2.816 20 30 EFEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000602594803 479415278 /nfs/dbraw/zinc/41/52/78/479415278.db2.gz TYZCEYMSTQJCJS-KRWDZBQOSA-N 2 0 342.487 2.542 20 30 EFEDRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000602694801 479481064 /nfs/dbraw/zinc/48/10/64/479481064.db2.gz JWWCGTLYMVDDGB-LJQANCHMSA-N 2 0 327.472 2.761 20 30 EFEDRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000618568562 479496092 /nfs/dbraw/zinc/49/60/92/479496092.db2.gz IAYOKZXEZWWGKT-HOJAQTOUSA-N 2 0 326.488 2.647 20 30 EFEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593912127 479505812 /nfs/dbraw/zinc/50/58/12/479505812.db2.gz ASUGCZJKXMJGRK-NTDBWNAOSA-N 2 0 342.487 2.517 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000615094045 479598612 /nfs/dbraw/zinc/59/86/12/479598612.db2.gz XTDPRNSQAOJVQO-CXUOOODFSA-N 2 0 340.471 2.860 20 30 EFEDRP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000615096796 479598965 /nfs/dbraw/zinc/59/89/65/479598965.db2.gz LVPZGLNIYHCWLF-MNNVXMFVSA-N 2 0 342.487 2.963 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000615094048 479599394 /nfs/dbraw/zinc/59/93/94/479599394.db2.gz XTDPRNSQAOJVQO-IAFLDTSXSA-N 2 0 340.471 2.860 20 30 EFEDRP C=CCC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641759882 481055525 /nfs/dbraw/zinc/05/55/25/481055525.db2.gz JYDOVROUTDLPEF-SFHVURJKSA-N 2 0 331.504 2.634 20 30 EFEDRP C=CCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000661852483 481363687 /nfs/dbraw/zinc/36/36/87/481363687.db2.gz WNMYJHDRLQOCDR-SFHVURJKSA-N 2 0 329.488 2.884 20 30 EFEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000118868059 524051062 /nfs/dbraw/zinc/05/10/62/524051062.db2.gz YYJOJZHWNDRTTM-UHFFFAOYSA-N 2 0 328.460 2.551 20 30 EFEDRP C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000181534874 524482658 /nfs/dbraw/zinc/48/26/58/524482658.db2.gz RTQQTARAIMTCOD-GOSISDBHSA-N 2 0 340.515 2.844 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000120610866 524938041 /nfs/dbraw/zinc/93/80/41/524938041.db2.gz GAJQIMQBMLOPAU-GASCZTMLSA-N 2 0 333.501 2.941 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1OC(F)(F)F ZINC000160671499 534834133 /nfs/dbraw/zinc/83/41/33/534834133.db2.gz FUUIHXIHZNZJSW-NSHDSACASA-N 2 0 342.365 2.796 20 30 EFEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000414798898 534882584 /nfs/dbraw/zinc/88/25/84/534882584.db2.gz ZQWXSNJRUBADQY-XLIONFOSSA-N 2 0 346.471 2.588 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000171708019 526433291 /nfs/dbraw/zinc/43/32/91/526433291.db2.gz QYVPDKPIACOZQR-GOSISDBHSA-N 2 0 338.540 2.693 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000174666434 526444967 /nfs/dbraw/zinc/44/49/67/526444967.db2.gz VKJOUWBGZRHJNB-HXUWFJFHSA-N 2 0 341.499 2.808 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040949 527645899 /nfs/dbraw/zinc/64/58/99/527645899.db2.gz VJMANZKCGBTOBI-MOPGFXCFSA-N 2 0 348.535 2.565 20 30 EFEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000264253164 535152194 /nfs/dbraw/zinc/15/21/94/535152194.db2.gz YHNYQHQQQNTACK-UHFFFAOYSA-N 2 0 328.460 2.691 20 30 EFEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261707993 535263212 /nfs/dbraw/zinc/26/32/12/535263212.db2.gz GWIGIEORCSRQJA-DOTOQJQBSA-N 2 0 338.565 2.510 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262531487 535548811 /nfs/dbraw/zinc/54/88/11/535548811.db2.gz NUTUNYUSVXMYMV-LALPHHSUSA-N 2 0 338.858 2.724 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262808526 535597894 /nfs/dbraw/zinc/59/78/94/535597894.db2.gz NUTUNYUSVXMYMV-YWPYICTPSA-N 2 0 338.858 2.724 20 30 EFEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000247005107 536362017 /nfs/dbraw/zinc/36/20/17/536362017.db2.gz KYTCRJVSDXHVKG-BBRMVZONSA-N 2 0 329.473 2.953 20 30 EFEDRP C=CCCn1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000657389232 547141879 /nfs/dbraw/zinc/14/18/79/547141879.db2.gz TWLSJFOTZSXBSV-IEBWSBKVSA-N 2 0 339.487 2.997 20 30 EFEDRP CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000754857182 575503987 /nfs/dbraw/zinc/50/39/87/575503987.db2.gz BVZFVJNYNOZWOV-KRWDZBQOSA-N 2 0 338.540 2.815 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000764146979 576436533 /nfs/dbraw/zinc/43/65/33/576436533.db2.gz SCDAIDWXIKAAMW-UHFFFAOYSA-N 2 0 329.488 2.653 20 30 EFEDRP C#CCOc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000769514270 577368798 /nfs/dbraw/zinc/36/87/98/577368798.db2.gz IIYMSVATQHYDGB-FQEVSTJZSA-N 2 0 330.472 2.631 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001752508316 1249750732 /nfs/dbraw/zinc/75/07/32/1249750732.db2.gz QRDGZHKJNJGIHP-ZWKOTPCHSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753549234 1249828210 /nfs/dbraw/zinc/82/82/10/1249828210.db2.gz YZOWAGMMMNKVJS-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001752829761 1251594093 /nfs/dbraw/zinc/59/40/93/1251594093.db2.gz VCAWYYBTQJLBAV-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089685867 1252171879 /nfs/dbraw/zinc/17/18/79/1252171879.db2.gz GEKZKTZHLXALLG-BZSNNMDCSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=C)C)CC1 ZINC001089735535 1252340772 /nfs/dbraw/zinc/34/07/72/1252340772.db2.gz MZRSDPUIGKNIAX-IBGZPJMESA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484344044 1252431802 /nfs/dbraw/zinc/43/18/02/1252431802.db2.gz LXXCCGRBDCVXMM-DZGCQCFKSA-N 2 0 346.862 2.835 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC000995987449 1254917475 /nfs/dbraw/zinc/91/74/75/1254917475.db2.gz RMRDGSWEOAIBGZ-MRXNPFEDSA-N 2 0 346.862 2.835 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996381872 1255264623 /nfs/dbraw/zinc/26/46/23/1255264623.db2.gz ZUOQFGWETKEAQU-HZPDHXFCSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996413909 1255289429 /nfs/dbraw/zinc/28/94/29/1255289429.db2.gz HNSWOYISTGIHRG-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410885 1255771011 /nfs/dbraw/zinc/77/10/11/1255771011.db2.gz ZDQIBVYXPXBNEK-QKNQBKEWSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438523 1255820246 /nfs/dbraw/zinc/82/02/46/1255820246.db2.gz CTOKTFWZOCCAEZ-SJLPKXTDSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444663 1255835293 /nfs/dbraw/zinc/83/52/93/1255835293.db2.gz UHUXOECIUSXULC-WSTZPKSXSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107485217 1255952796 /nfs/dbraw/zinc/95/27/96/1255952796.db2.gz PIOHGNJFNLAXBA-SVFBPWRDSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534043 1256070526 /nfs/dbraw/zinc/07/05/26/1256070526.db2.gz UHUXOECIUSXULC-QWFCFKBJSA-N 2 0 335.536 2.900 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107582248 1256179921 /nfs/dbraw/zinc/17/99/21/1256179921.db2.gz ZFLIHJSBKPUJLW-SVFBPWRDSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000997071427 1256791353 /nfs/dbraw/zinc/79/13/53/1256791353.db2.gz KSADNZFOVVZPRH-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000997071423 1256791564 /nfs/dbraw/zinc/79/15/64/1256791564.db2.gz KSADNZFOVVZPRH-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997138951 1257049170 /nfs/dbraw/zinc/04/91/70/1257049170.db2.gz PLPUOKOJQBNOTM-APWZRJJASA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997160755 1257167649 /nfs/dbraw/zinc/16/76/49/1257167649.db2.gz BTSXEMZBTASQLO-QGZVFWFLSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997189097 1257236222 /nfs/dbraw/zinc/23/62/22/1257236222.db2.gz IKGIELOJGNVCNG-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997189102 1257236740 /nfs/dbraw/zinc/23/67/40/1257236740.db2.gz IKGIELOJGNVCNG-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997206282 1257274919 /nfs/dbraw/zinc/27/49/19/1257274919.db2.gz UWJQSJADIGAVMO-OAHLLOKOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997279269 1257333363 /nfs/dbraw/zinc/33/33/63/1257333363.db2.gz FNXHSRYMFWZMBV-OAHLLOKOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997395784 1257568360 /nfs/dbraw/zinc/56/83/60/1257568360.db2.gz LNNSKXTXQRCLIU-MRXNPFEDSA-N 2 0 344.503 2.944 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001089910824 1257634430 /nfs/dbraw/zinc/63/44/30/1257634430.db2.gz VSMUDKOURSVONL-MUGJNUQGSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997614063 1258117003 /nfs/dbraw/zinc/11/70/03/1258117003.db2.gz QFBPJAGCOHTTOV-HKUYNNGSSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997725511 1258312993 /nfs/dbraw/zinc/31/29/93/1258312993.db2.gz GIOWGTBZXTYTEP-PKOBYXMFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997734175 1258326630 /nfs/dbraw/zinc/32/66/30/1258326630.db2.gz FNXHSRYMFWZMBV-HNNXBMFYSA-N 2 0 333.476 2.748 20 30 EFEDRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001168596033 1258383823 /nfs/dbraw/zinc/38/38/23/1258383823.db2.gz QTZLYBQRNKZBGR-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000997880462 1258569493 /nfs/dbraw/zinc/56/94/93/1258569493.db2.gz WIAVMQHGDFTABO-INIZCTEOSA-N 2 0 345.487 2.585 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005613 1258934467 /nfs/dbraw/zinc/93/44/67/1258934467.db2.gz QTCSENBYWXAFMT-MOPGFXCFSA-N 2 0 333.520 2.586 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000998005818 1258935929 /nfs/dbraw/zinc/93/59/29/1258935929.db2.gz RRDVMSRUJDLPTE-OALUTQOASA-N 2 0 333.520 2.586 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998050174 1259031674 /nfs/dbraw/zinc/03/16/74/1259031674.db2.gz KRGQZKSLZWXOEA-SFHVURJKSA-N 2 0 338.455 2.674 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998062107 1259059510 /nfs/dbraw/zinc/05/95/10/1259059510.db2.gz CMLKMYLUCISXFK-GOSISDBHSA-N 2 0 338.455 2.674 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998065846 1259060104 /nfs/dbraw/zinc/06/01/04/1259060104.db2.gz XUXPQPAYVCWXRW-QGZVFWFLSA-N 2 0 326.444 2.837 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099578 1259104326 /nfs/dbraw/zinc/10/43/26/1259104326.db2.gz SKSOECQJTSBHCX-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998101385 1259111532 /nfs/dbraw/zinc/11/15/32/1259111532.db2.gz HOPWXNYQMPCLJS-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998101383 1259112210 /nfs/dbraw/zinc/11/22/10/1259112210.db2.gz HOPWXNYQMPCLJS-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998115959 1259131144 /nfs/dbraw/zinc/13/11/44/1259131144.db2.gz MFVFNORCPIAVAR-DLBZAZTESA-N 2 0 342.487 2.556 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171052 1259184109 /nfs/dbraw/zinc/18/41/09/1259184109.db2.gz JVJXFZKAPLTBON-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000998901203 1260071848 /nfs/dbraw/zinc/07/18/48/1260071848.db2.gz KQUDWEHYNPLQLQ-BDVYOWHSSA-N 2 0 339.911 2.725 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273144923 1260377629 /nfs/dbraw/zinc/37/76/29/1260377629.db2.gz UJSISHUSCBNZCA-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCN1c2ccccc2C2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273030613 1266375811 /nfs/dbraw/zinc/37/58/11/1266375811.db2.gz OJZVKCCLBCBGBG-UHFFFAOYSA-N 2 0 339.483 2.552 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000999877528 1260966146 /nfs/dbraw/zinc/96/61/46/1260966146.db2.gz KUCPLJNXISAEAC-UHFFFAOYSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999984213 1261024910 /nfs/dbraw/zinc/02/49/10/1261024910.db2.gz OHTYTUJWHZXZMH-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[N@@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870449 1261196802 /nfs/dbraw/zinc/19/68/02/1261196802.db2.gz PLGKTAAOYFWVIQ-HXUWFJFHSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CCC[NH+]1CCC(C2(NC(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC001000211083 1261232997 /nfs/dbraw/zinc/23/29/97/1261232997.db2.gz PQCULDCKXDBIKC-UHFFFAOYSA-N 2 0 338.455 2.885 20 30 EFEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](CC1CC[NH+](C)CC1)CC2 ZINC001272888413 1261236770 /nfs/dbraw/zinc/23/67/70/1261236770.db2.gz YBVKPZLLFRRZFD-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001000244992 1261333599 /nfs/dbraw/zinc/33/35/99/1261333599.db2.gz QEVUAWGLKKOKJS-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586496 1266416669 /nfs/dbraw/zinc/41/66/69/1266416669.db2.gz KXUFVUQRBRHIEN-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902714 1261690967 /nfs/dbraw/zinc/69/09/67/1261690967.db2.gz WMSYODZVQGGGRK-MKXGPGLRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626168 1262074096 /nfs/dbraw/zinc/07/40/96/1262074096.db2.gz LWQJOTHUDMVBLS-IRXDYDNUSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001032812915 1262082614 /nfs/dbraw/zinc/08/26/14/1262082614.db2.gz UBRMAXLNJOSWRG-IRXDYDNUSA-N 2 0 345.487 2.986 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C12CCC2 ZINC001078655863 1262108206 /nfs/dbraw/zinc/10/82/06/1262108206.db2.gz BCMLZYJDUSKTJI-CVEARBPZSA-N 2 0 330.476 2.520 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078726916 1262231249 /nfs/dbraw/zinc/23/12/49/1262231249.db2.gz ZUVMQWBYWZNTQM-RTBURBONSA-N 2 0 341.499 2.607 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078748842 1262268919 /nfs/dbraw/zinc/26/89/19/1262268919.db2.gz GFAAHTNQVKWLMD-ROUUACIJSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078747656 1262296472 /nfs/dbraw/zinc/29/64/72/1262296472.db2.gz SWLXRRGBNSUSPH-MOPGFXCFSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819061 1262362641 /nfs/dbraw/zinc/36/26/41/1262362641.db2.gz IDHZTMXBJKVNEL-MSOLQXFVSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819416 1262362774 /nfs/dbraw/zinc/36/27/74/1262362774.db2.gz NAZFDFODXPQTNX-RTBURBONSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559835 1263221563 /nfs/dbraw/zinc/22/15/63/1263221563.db2.gz QKAURORMVGDTCG-XYPHTWIQSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542741 1263238280 /nfs/dbraw/zinc/23/82/80/1263238280.db2.gz KMLQZTUFLMUCIK-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082853736 1263370854 /nfs/dbraw/zinc/37/08/54/1263370854.db2.gz SGDKLBXSRHUUFZ-BJZITVGISA-N 2 0 349.906 2.652 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001082943371 1263425590 /nfs/dbraw/zinc/42/55/90/1263425590.db2.gz GNLSBKLTVKGTMV-DJIMGWMZSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406155 1263916250 /nfs/dbraw/zinc/91/62/50/1263916250.db2.gz HWAGXDJVWXMQEE-BHIYHBOVSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084599016 1264064113 /nfs/dbraw/zinc/06/41/13/1264064113.db2.gz NBGCCZFVKJBLKP-GUDVDZBRSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853433 1264540259 /nfs/dbraw/zinc/54/02/59/1264540259.db2.gz PVHBOOOGANGRCH-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958153 1264763499 /nfs/dbraw/zinc/76/34/99/1264763499.db2.gz NUYRMOKUAHMTML-NEWSRXKRSA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963439 1264769251 /nfs/dbraw/zinc/76/92/51/1264769251.db2.gz UZMUYYRXEYZCOO-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014545 1264928024 /nfs/dbraw/zinc/92/80/24/1264928024.db2.gz LSFALCANLDLCBI-RLLQIKCJSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101228 1265143110 /nfs/dbraw/zinc/14/31/10/1265143110.db2.gz PYHDDDSLXXIYMM-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101147 1265143829 /nfs/dbraw/zinc/14/38/29/1265143829.db2.gz XBODFMUEKLQGSK-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586831 1266433439 /nfs/dbraw/zinc/43/34/39/1266433439.db2.gz YYRKTWMXPPZAIE-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592334 1266602048 /nfs/dbraw/zinc/60/20/48/1266602048.db2.gz HZAKQZSLKQFKIU-ZGXWSNOMSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001004440722 1267004729 /nfs/dbraw/zinc/00/47/29/1267004729.db2.gz FIPMHTFEQWATEL-BHIYHBOVSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004445885 1267018639 /nfs/dbraw/zinc/01/86/39/1267018639.db2.gz JJSATOMJPNCZGS-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001004454867 1267080582 /nfs/dbraw/zinc/08/05/82/1267080582.db2.gz APRCZQQLDIUKGO-IBGZPJMESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004456275 1267083423 /nfs/dbraw/zinc/08/34/23/1267083423.db2.gz CVIANYSKJVBILL-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004457671 1267087293 /nfs/dbraw/zinc/08/72/93/1267087293.db2.gz JSNMIBBZWUOZIB-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001004460534 1267100121 /nfs/dbraw/zinc/10/01/21/1267100121.db2.gz ZUDDLZZVYYIJOA-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001004465230 1267105865 /nfs/dbraw/zinc/10/58/65/1267105865.db2.gz BEKXTZLJUQQQNB-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004472173 1267119148 /nfs/dbraw/zinc/11/91/48/1267119148.db2.gz DMLXAMSQOMPBPM-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004480534 1267135204 /nfs/dbraw/zinc/13/52/04/1267135204.db2.gz KHEKOSOZZCBKJX-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004480523 1267135501 /nfs/dbraw/zinc/13/55/01/1267135501.db2.gz KHEKOSOZZCBKJX-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004519009 1267207997 /nfs/dbraw/zinc/20/79/97/1267207997.db2.gz BQVTUHFVPBTEHE-YSIASYRMSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001004527962 1267227900 /nfs/dbraw/zinc/22/79/00/1267227900.db2.gz MXBCXLDRKPELPO-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540521 1267253552 /nfs/dbraw/zinc/25/35/52/1267253552.db2.gz RJWLVSHZTZMRKF-RTBURBONSA-N 2 0 335.536 2.852 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001004539356 1267278637 /nfs/dbraw/zinc/27/86/37/1267278637.db2.gz DLUBKQOHARFHFF-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004571942 1267309257 /nfs/dbraw/zinc/30/92/57/1267309257.db2.gz XPHMVIWPKKPAPX-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001004581003 1267329523 /nfs/dbraw/zinc/32/95/23/1267329523.db2.gz RVVQHOAJNIECAV-QFBILLFUSA-N 2 0 344.503 2.867 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001004581004 1267330527 /nfs/dbraw/zinc/33/05/27/1267330527.db2.gz RVVQHOAJNIECAV-VQIMIIECSA-N 2 0 344.503 2.867 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631615 1267342445 /nfs/dbraw/zinc/34/24/45/1267342445.db2.gz QNRNJTQSOYMIDE-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004586944 1267344488 /nfs/dbraw/zinc/34/44/88/1267344488.db2.gz WKMRIWFFCPVRQF-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001004608707 1267393492 /nfs/dbraw/zinc/39/34/92/1267393492.db2.gz BBWUQSFBXIXLKP-LJQANCHMSA-N 2 0 344.503 2.632 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004617963 1267412188 /nfs/dbraw/zinc/41/21/88/1267412188.db2.gz UYTJJAJLVBXEIB-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085436811 1267471569 /nfs/dbraw/zinc/47/15/69/1267471569.db2.gz CPOWVBKOBNZLHT-IAGOWNOFSA-N 2 0 333.476 2.938 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]2C1 ZINC000946653710 1267545445 /nfs/dbraw/zinc/54/54/45/1267545445.db2.gz CBHIJJWSEGYICH-HDICACEKSA-N 2 0 347.547 2.996 20 30 EFEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000824925640 1278356317 /nfs/dbraw/zinc/35/63/17/1278356317.db2.gz BKCTXDMIONZGIN-UHFFFAOYSA-N 2 0 349.478 2.740 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697664 1267734776 /nfs/dbraw/zinc/73/47/76/1267734776.db2.gz WQLQDMLEOFPPGG-HSALFYBXSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728297 1267806043 /nfs/dbraw/zinc/80/60/43/1267806043.db2.gz DIRMMTQFRRZOCI-HSALFYBXSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728814 1267808438 /nfs/dbraw/zinc/80/84/38/1267808438.db2.gz OMLFADADVNLSJA-ZCNNSNEGSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(=[NH2+])N2CCN(C)CC2)cc1 ZINC001168746235 1267841335 /nfs/dbraw/zinc/84/13/35/1267841335.db2.gz GGXNGGGZTQVKQU-GOSISDBHSA-N 2 0 327.476 2.604 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186890511 1267871687 /nfs/dbraw/zinc/87/16/87/1267871687.db2.gz VRJBCLLMPHQVTM-IBGZPJMESA-N 2 0 340.471 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598709 1267965176 /nfs/dbraw/zinc/96/51/76/1267965176.db2.gz YLQQVQVQQROHLS-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCN1CC2(CCC1=O)CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273128863 1268718945 /nfs/dbraw/zinc/71/89/45/1268718945.db2.gz YRAKUKDRWNKEDS-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000740738376 1269014273 /nfs/dbraw/zinc/01/42/73/1269014273.db2.gz BURPYWNZOUYMEY-UHFFFAOYSA-N 2 0 341.499 2.746 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419501 1269122438 /nfs/dbraw/zinc/12/24/38/1269122438.db2.gz ACNHISDHGLJLLO-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984607 1269409947 /nfs/dbraw/zinc/40/99/47/1269409947.db2.gz IQUNHMJQPKCBTP-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006276956 1269458873 /nfs/dbraw/zinc/45/88/73/1269458873.db2.gz YPBHNCCNSLDTNJ-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682560 1278503015 /nfs/dbraw/zinc/50/30/15/1278503015.db2.gz HOFFHKGDXFRCHC-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001410845999 1269791846 /nfs/dbraw/zinc/79/18/46/1269791846.db2.gz DRNCSWBJNTWQLI-HOTGVXAUSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684537 1269793074 /nfs/dbraw/zinc/79/30/74/1269793074.db2.gz LDQVKPGYUWCSSO-KRWDZBQOSA-N 2 0 335.879 2.647 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033700050 1269869688 /nfs/dbraw/zinc/86/96/88/1269869688.db2.gz TVOZXYBQTZNQKZ-MRXNPFEDSA-N 2 0 333.476 2.844 20 30 EFEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832465 1270296524 /nfs/dbraw/zinc/29/65/24/1270296524.db2.gz FWPIRSSEFDTUAF-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395124 1270333329 /nfs/dbraw/zinc/33/33/29/1270333329.db2.gz HWUCMFASTILUEP-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033888206 1270494381 /nfs/dbraw/zinc/49/43/81/1270494381.db2.gz RGXQOZLLQYOMNK-QGZVFWFLSA-N 2 0 326.444 2.837 20 30 EFEDRP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005502418 1271029681 /nfs/dbraw/zinc/02/96/81/1271029681.db2.gz FFHPNRAYRAHCQZ-IBGZPJMESA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387467 1271246106 /nfs/dbraw/zinc/24/61/06/1271246106.db2.gz GAZFDHMUWWDXRM-BFYDXBDKSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292665 1271575925 /nfs/dbraw/zinc/57/59/25/1271575925.db2.gz SPTXSVZXARXNCY-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331612 1271675713 /nfs/dbraw/zinc/67/57/13/1271675713.db2.gz UGJBUGYCDHORTK-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332554 1271678659 /nfs/dbraw/zinc/67/86/59/1271678659.db2.gz ZRQQVCLTVFAHMR-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034367690 1271756178 /nfs/dbraw/zinc/75/61/78/1271756178.db2.gz HEBKDIZFYAPZLJ-ICSRJNTNSA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404569 1271908858 /nfs/dbraw/zinc/90/88/58/1271908858.db2.gz KLKUNIKLCOLUQZ-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034476121 1272065008 /nfs/dbraw/zinc/06/50/08/1272065008.db2.gz BIUAGFXRVMFGKL-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034479691 1272082103 /nfs/dbraw/zinc/08/21/03/1272082103.db2.gz APLOXTRDZXEVNM-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034543765 1272257838 /nfs/dbraw/zinc/25/78/38/1272257838.db2.gz JMBFUECSUVQHOW-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001034659400 1272465136 /nfs/dbraw/zinc/46/51/36/1272465136.db2.gz SFRLHNKXSKOOHD-BZUAXINKSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001005580460 1272492815 /nfs/dbraw/zinc/49/28/15/1272492815.db2.gz GPMVQOCNLDHSDA-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273136284 1272534185 /nfs/dbraw/zinc/53/41/85/1272534185.db2.gz KTGZBRQYYZFXRZ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3c(Cl)cccc3C#N)CC2)CC1 ZINC001143731940 1278722160 /nfs/dbraw/zinc/72/21/60/1278722160.db2.gz IUYBONZMWBRWFF-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=C(Cl)CN1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005640341 1272656116 /nfs/dbraw/zinc/65/61/16/1272656116.db2.gz PRKBUCLMFXOERD-QGZVFWFLSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169125927 1272682542 /nfs/dbraw/zinc/68/25/42/1272682542.db2.gz NXIPIUMYHFEOTJ-AJYBTWMASA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169130390 1272687681 /nfs/dbraw/zinc/68/76/81/1272687681.db2.gz NKJFIFIOIMHERC-XFKSJGNHSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001034732462 1272755876 /nfs/dbraw/zinc/75/58/76/1272755876.db2.gz BIFQKJCVQGVTAJ-BXWFABGCSA-N 2 0 339.499 2.792 20 30 EFEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273137303 1272971636 /nfs/dbraw/zinc/97/16/36/1272971636.db2.gz QPYDWBJUEIMDNX-GOSISDBHSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001034796532 1272989943 /nfs/dbraw/zinc/98/99/43/1272989943.db2.gz IEWZKYKSTDMMLI-JYJNAYRXSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734368 1273424812 /nfs/dbraw/zinc/42/48/12/1273424812.db2.gz RMQIOHWRQHUZAS-KSZLIROESA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765299 1273468966 /nfs/dbraw/zinc/46/89/66/1273468966.db2.gz MSKLXQLDCMXIBW-KSZLIROESA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001108799114 1273492398 /nfs/dbraw/zinc/49/23/98/1273492398.db2.gz MMRJCJFAVJZVNR-BBWFWOEESA-N 2 0 342.487 2.697 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001108830357 1273522174 /nfs/dbraw/zinc/52/21/74/1273522174.db2.gz KQCOUSVFVMNUOI-WDSOQIARSA-N 2 0 341.499 2.907 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834702 1273526235 /nfs/dbraw/zinc/52/62/35/1273526235.db2.gz ZSHWNVAVMOESFR-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823811 1273533076 /nfs/dbraw/zinc/53/30/76/1273533076.db2.gz QZUYFZLIERDUMN-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCCCC1)C2 ZINC001108828100 1273537411 /nfs/dbraw/zinc/53/74/11/1273537411.db2.gz GIYJSXWXLRKSFG-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035198972 1273765519 /nfs/dbraw/zinc/76/55/19/1273765519.db2.gz XRODCACHBZDAGJ-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035191686 1273807307 /nfs/dbraw/zinc/80/73/07/1273807307.db2.gz BHGJMLDBSWDSCE-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193410 1273812672 /nfs/dbraw/zinc/81/26/72/1273812672.db2.gz BMWIHGCHCVYCDN-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035226988 1273847213 /nfs/dbraw/zinc/84/72/13/1273847213.db2.gz MDLQGHAIJYLDQS-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035233529 1273884982 /nfs/dbraw/zinc/88/49/82/1273884982.db2.gz HIAGGZSZOSPPGZ-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[NH+]31)CC2 ZINC001035236839 1273898755 /nfs/dbraw/zinc/89/87/55/1273898755.db2.gz DXTNZWPPDHEXPY-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035260270 1273955821 /nfs/dbraw/zinc/95/58/21/1273955821.db2.gz SWHCAKURBYZVPV-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109304290 1274117967 /nfs/dbraw/zinc/11/79/67/1274117967.db2.gz TZAHZXKSVZHFLP-QQXKLLMISA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399468 1274240164 /nfs/dbraw/zinc/24/01/64/1274240164.db2.gz LAGFDUQHUKJKKQ-YRXWBPOGSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001109474518 1274315912 /nfs/dbraw/zinc/31/59/12/1274315912.db2.gz YDSDBFOLOXQOCB-YDZRNGNQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035719804 1274405034 /nfs/dbraw/zinc/40/50/34/1274405034.db2.gz AYZSUOFODUJYOQ-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000804128168 1274405223 /nfs/dbraw/zinc/40/52/23/1274405223.db2.gz UDHMLNFUBACKNU-KRWDZBQOSA-N 2 0 337.895 2.957 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035720125 1274405861 /nfs/dbraw/zinc/40/58/61/1274405861.db2.gz KLNABCANJJRHMH-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555413 1274424578 /nfs/dbraw/zinc/42/45/78/1274424578.db2.gz POMRYKUGXWSRQW-YDZRNGNQSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826204 1274522616 /nfs/dbraw/zinc/52/26/16/1274522616.db2.gz LJXMHVUPWHJPEG-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671654 1274545476 /nfs/dbraw/zinc/54/54/76/1274545476.db2.gz VUGIEWCKRDMZGX-QYZOEREBSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814582 1274549163 /nfs/dbraw/zinc/54/91/63/1274549163.db2.gz PIGORXYKVQULMJ-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035858180 1274609741 /nfs/dbraw/zinc/60/97/41/1274609741.db2.gz PQGSLYPZTOWONJ-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1C[NH+](C)C)CC2 ZINC001035858072 1274609864 /nfs/dbraw/zinc/60/98/64/1274609864.db2.gz GBLHCZJZCOHLKD-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035859689 1274613916 /nfs/dbraw/zinc/61/39/16/1274613916.db2.gz WSGMMRSPMTUFCX-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918737 1274815893 /nfs/dbraw/zinc/81/58/93/1274815893.db2.gz XOSCZNADROPLSA-QYZOEREBSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982750 1274943436 /nfs/dbraw/zinc/94/34/36/1274943436.db2.gz QAOSQYJXCSAYSF-SQNIBIBYSA-N 2 0 331.504 2.550 20 30 EFEDRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCc1ccc(C#N)s1 ZINC001170199562 1278907145 /nfs/dbraw/zinc/90/71/45/1278907145.db2.gz UGQYKOHSVVVYFL-UHFFFAOYSA-N 2 0 342.472 2.505 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036113273 1275065347 /nfs/dbraw/zinc/06/53/47/1275065347.db2.gz PSTDFKREGCDVBD-LRDDRELGSA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551839 1275127775 /nfs/dbraw/zinc/12/77/75/1275127775.db2.gz SMDOZIRNXYHYTE-ICSRJNTNSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001112555264 1275151398 /nfs/dbraw/zinc/15/13/98/1275151398.db2.gz JCDNCEBOCPINHC-ICSRJNTNSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001036242368 1275276386 /nfs/dbraw/zinc/27/63/86/1275276386.db2.gz VFVMMSKHCAPFCG-PBHICJAKSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001112585570 1275309628 /nfs/dbraw/zinc/30/96/28/1275309628.db2.gz FSBVACSWNKHACX-NSHGMRRFSA-N 2 0 333.520 2.511 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996036 1276286735 /nfs/dbraw/zinc/28/67/35/1276286735.db2.gz PRSFSPIXMJSYPQ-IRXDYDNUSA-N 2 0 344.503 2.663 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996035 1276286764 /nfs/dbraw/zinc/28/67/64/1276286764.db2.gz PRSFSPIXMJSYPQ-IAGOWNOFSA-N 2 0 344.503 2.663 20 30 EFEDRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000817914955 1276375660 /nfs/dbraw/zinc/37/56/60/1276375660.db2.gz DMUFJDDAJHHSIS-WIYYLYMNSA-N 2 0 349.434 2.912 20 30 EFEDRP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1C#N ZINC000817914952 1276375921 /nfs/dbraw/zinc/37/59/21/1276375921.db2.gz DMUFJDDAJHHSIS-GHTZIAJQSA-N 2 0 349.434 2.912 20 30 EFEDRP N#CCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919994 1276378334 /nfs/dbraw/zinc/37/83/34/1276378334.db2.gz YCLIZKMDQCXFNS-FPOVZHCZSA-N 2 0 349.434 2.934 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC000946846195 1276527798 /nfs/dbraw/zinc/52/77/98/1276527798.db2.gz UYTHAFUXFNGMBT-BGYRXZFFSA-N 2 0 347.547 2.853 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)cc1 ZINC000818943074 1276555111 /nfs/dbraw/zinc/55/51/11/1276555111.db2.gz OXBDLVWIBYWNAF-NRFANRHFSA-N 2 0 335.451 2.977 20 30 EFEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873224 1276563520 /nfs/dbraw/zinc/56/35/20/1276563520.db2.gz LFLDHHLTJKYVGJ-FQEVSTJZSA-N 2 0 345.531 2.730 20 30 EFEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873225 1276563631 /nfs/dbraw/zinc/56/36/31/1276563631.db2.gz LFLDHHLTJKYVGJ-HXUWFJFHSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001174929324 1287235634 /nfs/dbraw/zinc/23/56/34/1287235634.db2.gz QWSFDQDXUVIKOZ-CQSZACIVSA-N 2 0 341.883 2.972 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001134810277 1287236818 /nfs/dbraw/zinc/23/68/18/1287236818.db2.gz XAVWMJJTVIGZLC-STQMWFEESA-N 2 0 334.851 2.882 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001113146652 1277087882 /nfs/dbraw/zinc/08/78/82/1277087882.db2.gz LKHKPIWPJWBRQL-SFHVURJKSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155550 1277107923 /nfs/dbraw/zinc/10/79/23/1277107923.db2.gz SVKRTHWLOPRYOG-GOSISDBHSA-N 2 0 335.536 2.997 20 30 EFEDRP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001174961480 1287269213 /nfs/dbraw/zinc/26/92/13/1287269213.db2.gz MPAUAVQCUTXRBK-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001174961800 1287270018 /nfs/dbraw/zinc/27/00/18/1287270018.db2.gz OVDOCMPNWIEMFU-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001174961801 1287270080 /nfs/dbraw/zinc/27/00/80/1287270080.db2.gz OVDOCMPNWIEMFU-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086841993 1277462284 /nfs/dbraw/zinc/46/22/84/1277462284.db2.gz INHIUHMJESLTEH-DOTOQJQBSA-N 2 0 341.927 2.734 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001113348251 1277636876 /nfs/dbraw/zinc/63/68/76/1277636876.db2.gz FKDUWZCUVRJSGV-SFHVURJKSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000791299720 1278020225 /nfs/dbraw/zinc/02/02/25/1278020225.db2.gz SOJZRLOEGCAUFD-INIZCTEOSA-N 2 0 335.517 2.755 20 30 EFEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001091029772 1279359136 /nfs/dbraw/zinc/35/91/36/1279359136.db2.gz WLAJCEOCLHHNRQ-LXPRWKDFSA-N 2 0 333.520 2.702 20 30 EFEDRP [NH2+]=C(Nc1cc[nH+]c(N2CCOCC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171185495 1279688819 /nfs/dbraw/zinc/68/88/19/1279688819.db2.gz YPKGGMJPOXNWBK-UHFFFAOYSA-N 2 0 348.406 2.814 20 30 EFEDRP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001144569628 1279850387 /nfs/dbraw/zinc/85/03/87/1279850387.db2.gz VEIFHVNZQJDFKS-FGZHOGPDSA-N 2 0 338.495 2.848 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001114262422 1280066258 /nfs/dbraw/zinc/06/62/58/1280066258.db2.gz DCSNPJTWJFQKIW-ZSYWTGECSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086625119 1280343880 /nfs/dbraw/zinc/34/38/80/1280343880.db2.gz LVMHGOFOJUHBOC-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248981 1280447982 /nfs/dbraw/zinc/44/79/82/1280447982.db2.gz ZRWZQIXDWJRCFW-HKUYNNGSSA-N 2 0 333.520 2.681 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001091377699 1280457270 /nfs/dbraw/zinc/45/72/70/1280457270.db2.gz UOTGTFADXHWZMM-UHFFFAOYSA-N 2 0 335.879 2.599 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608694 1280950841 /nfs/dbraw/zinc/95/08/41/1280950841.db2.gz ASCHSNMHQOSFMI-DLBZAZTESA-N 2 0 347.547 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614627 1280952256 /nfs/dbraw/zinc/95/22/56/1280952256.db2.gz ZCMDHHYISXPTII-QZTJIDSGSA-N 2 0 347.547 2.785 20 30 EFEDRP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029688 1281094084 /nfs/dbraw/zinc/09/40/84/1281094084.db2.gz LRUKTOFYFABBRQ-CVEARBPZSA-N 2 0 347.906 2.732 20 30 EFEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147409564 1281172276 /nfs/dbraw/zinc/17/22/76/1281172276.db2.gz FMSRIEUGCWYPSW-HXUWFJFHSA-N 2 0 331.504 2.916 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170783759 1287479456 /nfs/dbraw/zinc/47/94/56/1287479456.db2.gz GQBCRQZPYYLVKF-QZTJIDSGSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147717572 1281244691 /nfs/dbraw/zinc/24/46/91/1281244691.db2.gz ZSDSDIFPUBVKNL-MOPGFXCFSA-N 2 0 347.547 2.853 20 30 EFEDRP N#Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ccn1 ZINC001170528781 1281368830 /nfs/dbraw/zinc/36/88/30/1281368830.db2.gz VVUZFNJTQPOWJP-UHFFFAOYSA-N 2 0 345.450 2.863 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147985629 1281390481 /nfs/dbraw/zinc/39/04/81/1281390481.db2.gz JVFUEHIANSSTNC-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001148285417 1281494546 /nfs/dbraw/zinc/49/45/46/1281494546.db2.gz RACLUCUDAWXKEL-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713476 1281514138 /nfs/dbraw/zinc/51/41/38/1281514138.db2.gz ZMGRCVTWZGUCSO-APWZRJJASA-N 2 0 347.528 2.780 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477111 1281568094 /nfs/dbraw/zinc/56/80/94/1281568094.db2.gz IQXWHRNBVIVWAT-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476946 1281568860 /nfs/dbraw/zinc/56/88/60/1281568860.db2.gz BOOUXLJKMXYCMK-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737372 1281684433 /nfs/dbraw/zinc/68/44/33/1281684433.db2.gz KHOWBOUENSKTEX-HBFSDRIKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738282 1281685913 /nfs/dbraw/zinc/68/59/13/1281685913.db2.gz SXARSUVMEFMITJ-QFUCXCTJSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833655 1281759990 /nfs/dbraw/zinc/75/99/90/1281759990.db2.gz ILSQOJLAVOHIPC-MOPGFXCFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001148833652 1281760138 /nfs/dbraw/zinc/76/01/38/1281760138.db2.gz IGOAOBCVVJQLNE-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086910361 1281913045 /nfs/dbraw/zinc/91/30/45/1281913045.db2.gz RQJLFXRMVIIYMF-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925439 1281944803 /nfs/dbraw/zinc/94/48/03/1281944803.db2.gz WWEMMTRUVPWHPO-CEXWTWQISA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942391 1281971915 /nfs/dbraw/zinc/97/19/15/1281971915.db2.gz PQUBENDNOBEBQI-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942158 1281972458 /nfs/dbraw/zinc/97/24/58/1281972458.db2.gz KIIKALBKWJOMSO-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086942160 1281972720 /nfs/dbraw/zinc/97/27/20/1281972720.db2.gz KIIKALBKWJOMSO-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932151 1282002949 /nfs/dbraw/zinc/00/29/49/1282002949.db2.gz BOIKWFLVTRXVQO-MRXNPFEDSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952834 1282016882 /nfs/dbraw/zinc/01/68/82/1282016882.db2.gz RLFJHKVBADIHLY-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807520 1282134913 /nfs/dbraw/zinc/13/49/13/1282134913.db2.gz IISKHYYUNRFIJW-UZLBHIALSA-N 2 0 338.455 2.613 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947427 1282275522 /nfs/dbraw/zinc/27/55/22/1282275522.db2.gz GOFFMPJSXZEIQI-QFUCXCTJSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190680 1282449523 /nfs/dbraw/zinc/44/95/23/1282449523.db2.gz UGCZJVBJRFYKKB-HBFSDRIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081051 1287577248 /nfs/dbraw/zinc/57/72/48/1287577248.db2.gz GHUOATWSHYSPPP-GJZGRUSLSA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135081050 1287577911 /nfs/dbraw/zinc/57/79/11/1287577911.db2.gz GHUOATWSHYSPPP-CABCVRRESA-N 2 0 329.916 2.876 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092303140 1282550128 /nfs/dbraw/zinc/55/01/28/1282550128.db2.gz VAIMQSOXVIEDQH-SBHAEUEKSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102063 1287598686 /nfs/dbraw/zinc/59/86/86/1287598686.db2.gz WFUPSRCOMKQETR-SJORKVTESA-N 2 0 331.504 2.853 20 30 EFEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141143 1283065249 /nfs/dbraw/zinc/06/52/49/1283065249.db2.gz OKROYEDZMQPPRF-IAGOWNOFSA-N 2 0 333.520 2.632 20 30 EFEDRP C=CCCC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141015 1283065581 /nfs/dbraw/zinc/06/55/81/1283065581.db2.gz NXGPFYKMWIHXHF-QZTJIDSGSA-N 2 0 344.503 2.843 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141522 1283068674 /nfs/dbraw/zinc/06/86/74/1283068674.db2.gz RJXUJBLIPOIKKP-MSOLQXFVSA-N 2 0 344.503 2.843 20 30 EFEDRP C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132142183 1283068938 /nfs/dbraw/zinc/06/89/38/1283068938.db2.gz YZCMTBSXYNTRRM-IAGOWNOFSA-N 2 0 333.520 2.632 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC001092854523 1283075647 /nfs/dbraw/zinc/07/56/47/1283075647.db2.gz MWORFQZLCJIXJA-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906916 1283111550 /nfs/dbraw/zinc/11/15/50/1283111550.db2.gz LUAHBYFZPQKIAB-GUDVDZBRSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906915 1283111973 /nfs/dbraw/zinc/11/19/73/1283111973.db2.gz LUAHBYFZPQKIAB-CEXWTWQISA-N 2 0 335.536 2.759 20 30 EFEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206090 1283155527 /nfs/dbraw/zinc/15/55/27/1283155527.db2.gz DQKLLJNYIZNZNI-MSOLQXFVSA-N 2 0 333.520 2.633 20 30 EFEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206826 1283157766 /nfs/dbraw/zinc/15/77/66/1283157766.db2.gz OEZVJSNRMIEJEJ-MSOLQXFVSA-N 2 0 333.520 2.633 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731600 1283295213 /nfs/dbraw/zinc/29/52/13/1283295213.db2.gz WNQABHBDEWRPIW-GOEBONIOSA-N 2 0 333.501 2.532 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036754258 1283419799 /nfs/dbraw/zinc/41/97/99/1283419799.db2.gz CQSNRDFCBXTPNA-PKOBYXMFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754433 1283421395 /nfs/dbraw/zinc/42/13/95/1283421395.db2.gz FYTSHCFOLVUDGS-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762213 1283477249 /nfs/dbraw/zinc/47/72/49/1283477249.db2.gz HADVVKDZBVOQEH-MJGOQNOKSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773721 1283555417 /nfs/dbraw/zinc/55/54/17/1283555417.db2.gz RWGNJLXYOSQGHU-WMLDXEAASA-N 2 0 344.846 2.623 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773722 1283555983 /nfs/dbraw/zinc/55/59/83/1283555983.db2.gz RWGNJLXYOSQGHU-YOEHRIQHSA-N 2 0 344.846 2.623 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176024221 1287660745 /nfs/dbraw/zinc/66/07/45/1287660745.db2.gz NEHXWGIHYIRRKV-KRWDZBQOSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025196 1287661389 /nfs/dbraw/zinc/66/13/89/1287661389.db2.gz YXTROZZMBXRMPW-CQSZACIVSA-N 2 0 348.329 2.501 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519517 1283782467 /nfs/dbraw/zinc/78/24/67/1283782467.db2.gz ZYRIGRWNDJBUKQ-ICSRJNTNSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093361541 1283784162 /nfs/dbraw/zinc/78/41/62/1283784162.db2.gz LPWXWOZHGXZKQG-RTBURBONSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001093371197 1283805446 /nfs/dbraw/zinc/80/54/46/1283805446.db2.gz LUUGOMDEGHQJFQ-RTBURBONSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093376904 1283826584 /nfs/dbraw/zinc/82/65/84/1283826584.db2.gz CLKNQEWUPVXQII-LJQANCHMSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093381755 1283847455 /nfs/dbraw/zinc/84/74/55/1283847455.db2.gz UCNOAQISMRPVDD-PXNSSMCTSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000815652594 1287671835 /nfs/dbraw/zinc/67/18/35/1287671835.db2.gz JMENJTBECYBPAP-BHDDXSALSA-N 2 0 339.527 2.832 20 30 EFEDRP C[C@H](C#N)OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715062587 1284012524 /nfs/dbraw/zinc/01/25/24/1284012524.db2.gz ONIDTVNKKWDLCK-MISYRCLQSA-N 2 0 327.472 2.902 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820874 1284060428 /nfs/dbraw/zinc/06/04/28/1284060428.db2.gz QDJDZZHRORZVBT-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036841624 1284239121 /nfs/dbraw/zinc/23/91/21/1284239121.db2.gz AVSKIRFOAJDVNO-UXHICEINSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854184 1284329644 /nfs/dbraw/zinc/32/96/44/1284329644.db2.gz HNQUTXORERSIAI-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859151 1284337161 /nfs/dbraw/zinc/33/71/61/1284337161.db2.gz LALOSVSZXKMXMZ-MOPGFXCFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859934 1284338509 /nfs/dbraw/zinc/33/85/09/1284338509.db2.gz XXRUINQCAOFYEP-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132869288 1284402627 /nfs/dbraw/zinc/40/26/27/1284402627.db2.gz HYGFHSNZSIJTIW-NVXWUHKLSA-N 2 0 347.528 2.521 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132869287 1284402715 /nfs/dbraw/zinc/40/27/15/1284402715.db2.gz HYGFHSNZSIJTIW-DOTOQJQBSA-N 2 0 347.528 2.521 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132869525 1284403636 /nfs/dbraw/zinc/40/36/36/1284403636.db2.gz JVLZTNGFRWFDEA-HOCLYGCPSA-N 2 0 335.517 2.684 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132922811 1284470163 /nfs/dbraw/zinc/47/01/63/1284470163.db2.gz AEOXUVYVGSCDFE-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112041 1287714587 /nfs/dbraw/zinc/71/45/87/1287714587.db2.gz MRZDKZIAPMRVCN-FXAWDEMLSA-N 2 0 331.504 2.914 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132932645 1284484906 /nfs/dbraw/zinc/48/49/06/1284484906.db2.gz KOWNKXLUWVOPAK-HIFRSBDPSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132938317 1284491266 /nfs/dbraw/zinc/49/12/66/1284491266.db2.gz TYPADQPTLHFMJG-DOTOQJQBSA-N 2 0 340.471 2.907 20 30 EFEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120219 1287716690 /nfs/dbraw/zinc/71/66/90/1287716690.db2.gz KZTXJVQANBHKOF-MJGOQNOKSA-N 2 0 329.488 2.577 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132949654 1284509646 /nfs/dbraw/zinc/50/96/46/1284509646.db2.gz FJEYATPPHAHPEL-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120147 1287717301 /nfs/dbraw/zinc/71/73/01/1287717301.db2.gz JRIZFNRSPPLZIB-QUCCMNQESA-N 2 0 343.515 2.967 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973761 1284533407 /nfs/dbraw/zinc/53/34/07/1284533407.db2.gz QILBNOQQUJDRCM-WMZOPIPTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973758 1284533898 /nfs/dbraw/zinc/53/38/98/1284533898.db2.gz QILBNOQQUJDRCM-AEFFLSMTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953391 1284535482 /nfs/dbraw/zinc/53/54/82/1284535482.db2.gz FMFWKQPWPFZSNG-FUHWJXTLSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132955539 1284538154 /nfs/dbraw/zinc/53/81/54/1284538154.db2.gz SVTBFPKRLWOMGL-WBVHZDCISA-N 2 0 326.444 2.598 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001133016666 1284627282 /nfs/dbraw/zinc/62/72/82/1284627282.db2.gz PAPXGFSVJKPCRH-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001133010952 1284652128 /nfs/dbraw/zinc/65/21/28/1284652128.db2.gz DPIFROMKWSLZSG-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133038891 1284662933 /nfs/dbraw/zinc/66/29/33/1284662933.db2.gz HMMPLENEOIQZHC-GDBMZVCRSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133063700 1284729583 /nfs/dbraw/zinc/72/95/83/1284729583.db2.gz GFPNBGBTLUJOQI-AEFFLSMTSA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC001176192463 1287734376 /nfs/dbraw/zinc/73/43/76/1287734376.db2.gz KUJIEEUEGDDPAT-INIZCTEOSA-N 2 0 332.492 2.992 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091759 1284780161 /nfs/dbraw/zinc/78/01/61/1284780161.db2.gz VIXXUNHSBLKJCB-MSOLQXFVSA-N 2 0 325.541 2.983 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133154837 1284884315 /nfs/dbraw/zinc/88/43/15/1284884315.db2.gz HBAROCWJFICTLA-WMLDXEAASA-N 2 0 341.927 2.545 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165685 1284921728 /nfs/dbraw/zinc/92/17/28/1284921728.db2.gz LBYRWSZVCZEQMX-QFBILLFUSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165683 1284922601 /nfs/dbraw/zinc/92/26/01/1284922601.db2.gz LBYRWSZVCZEQMX-APWZRJJASA-N 2 0 329.488 2.622 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185465 1284950405 /nfs/dbraw/zinc/95/04/05/1284950405.db2.gz DJOBOHXDTRFQAQ-RBUKOAKNSA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133194934 1284973099 /nfs/dbraw/zinc/97/30/99/1284973099.db2.gz NEMNJMLTFCMRQO-NVXWUHKLSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001133249873 1285052967 /nfs/dbraw/zinc/05/29/67/1285052967.db2.gz LOOZZODFEFTCLA-IAGOWNOFSA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250352 1285054858 /nfs/dbraw/zinc/05/48/58/1285054858.db2.gz UCKJUQCJSALQLC-DLBZAZTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3CCC)CCC[C@@H]12 ZINC001094429885 1285072028 /nfs/dbraw/zinc/07/20/28/1285072028.db2.gz AAPQGCQWXZWPNI-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450286 1285119825 /nfs/dbraw/zinc/11/98/25/1285119825.db2.gz JREGXZLWQISSQM-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+]CCCCCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001179001061 1289018309 /nfs/dbraw/zinc/01/83/09/1289018309.db2.gz ZVVMQEMFJXNXJU-UHFFFAOYSA-N 2 0 341.459 2.723 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337750 1285217291 /nfs/dbraw/zinc/21/72/91/1285217291.db2.gz PHDSOIPTRXMTNP-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094529390 1285256835 /nfs/dbraw/zinc/25/68/35/1285256835.db2.gz QRNUEERHSPTBEY-SFHLNBCPSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC001094537089 1285269463 /nfs/dbraw/zinc/26/94/63/1285269463.db2.gz KQCOOLVEHPTSRS-TZIWHRDSSA-N 2 0 341.499 2.909 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133405690 1285360162 /nfs/dbraw/zinc/36/01/62/1285360162.db2.gz LMKGVXYSQYQEEM-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001133410681 1285372339 /nfs/dbraw/zinc/37/23/39/1285372339.db2.gz VBEZAYKQEMGDKL-UHFFFAOYSA-N 2 0 337.895 2.786 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902695 1285381748 /nfs/dbraw/zinc/38/17/48/1285381748.db2.gz OCPIGHYPOXJZPE-PMACEKPBSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]21 ZINC001036902616 1285382547 /nfs/dbraw/zinc/38/25/47/1285382547.db2.gz NAUKXXXOKZTSEQ-UXHICEINSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161798 1285506465 /nfs/dbraw/zinc/50/64/65/1285506465.db2.gz UBOCUKXRPAXMSH-YDZRNGNQSA-N 2 0 333.520 2.795 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001171618902 1285681495 /nfs/dbraw/zinc/68/14/95/1285681495.db2.gz NXNBEAKMPLOXTG-KRWDZBQOSA-N 2 0 335.536 2.927 20 30 EFEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172117340 1286027449 /nfs/dbraw/zinc/02/74/49/1286027449.db2.gz IYOLUVYPRXBATP-BCDXTJNWSA-N 2 0 331.504 2.645 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172296313 1286109446 /nfs/dbraw/zinc/10/94/46/1286109446.db2.gz HGZKVAUYFBOXAT-PBHICJAKSA-N 2 0 346.475 2.669 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001172299929 1286111127 /nfs/dbraw/zinc/11/11/27/1286111127.db2.gz PRNPZINPSPAWDS-NSISKUIASA-N 2 0 327.472 2.722 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001179134050 1289053098 /nfs/dbraw/zinc/05/30/98/1289053098.db2.gz FYDFWBIACPPBFN-KRWDZBQOSA-N 2 0 341.927 2.880 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CCCC#N)cc2)CC1 ZINC001172482704 1286144788 /nfs/dbraw/zinc/14/47/88/1286144788.db2.gz JMZFKZKWAPXBTH-SFHVURJKSA-N 2 0 328.504 2.996 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001094923673 1286184009 /nfs/dbraw/zinc/18/40/09/1286184009.db2.gz SHOLYKJLUKPXEZ-BZSNNMDCSA-N 2 0 333.520 2.796 20 30 EFEDRP CC[NH+](CC)C1CCC([NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001173114537 1286416062 /nfs/dbraw/zinc/41/60/62/1286416062.db2.gz OCRFARNCWUZAHN-UHFFFAOYSA-N 2 0 341.503 2.728 20 30 EFEDRP COc1cccc2c1C[C@@H](NC(C)=[NH+]Cc1cccc(C[NH3+])c1)CO2 ZINC001173161816 1286447606 /nfs/dbraw/zinc/44/76/06/1286447606.db2.gz SDMIZBGIEFGDCK-QGZVFWFLSA-N 2 0 339.439 2.666 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001179234124 1289079749 /nfs/dbraw/zinc/07/97/49/1289079749.db2.gz JPLQOPIMEMUWRB-RDJZCZTQSA-N 2 0 341.927 2.973 20 30 EFEDRP COCCN1CCOC[C@@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173336127 1286529980 /nfs/dbraw/zinc/52/99/80/1286529980.db2.gz OVNCXLCUIQKCNU-MHJFOBGBSA-N 2 0 349.519 2.520 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203256290 1286760833 /nfs/dbraw/zinc/76/08/33/1286760833.db2.gz HIBVAWITESHHTC-IAGOWNOFSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203256289 1286761679 /nfs/dbraw/zinc/76/16/79/1286761679.db2.gz HIBVAWITESHHTC-DLBZAZTESA-N 2 0 333.520 2.844 20 30 EFEDRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001179400848 1289122596 /nfs/dbraw/zinc/12/25/96/1289122596.db2.gz ZJLUVQFQFNDZKN-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001134773999 1287171475 /nfs/dbraw/zinc/17/14/75/1287171475.db2.gz TZOYBOVPDAKKBB-HZPDHXFCSA-N 2 0 344.503 2.661 20 30 EFEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001134774000 1287172029 /nfs/dbraw/zinc/17/20/29/1287172029.db2.gz TZOYBOVPDAKKBB-JKSUJKDBSA-N 2 0 344.503 2.661 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783668 1287184958 /nfs/dbraw/zinc/18/49/58/1287184958.db2.gz ODFMNMTWXUZHSZ-DLBZAZTESA-N 2 0 332.492 2.747 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135309541 1287925210 /nfs/dbraw/zinc/92/52/10/1287925210.db2.gz YMZSGFSVYGIOBW-OLZOCXBDSA-N 2 0 327.856 2.580 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135309540 1287925241 /nfs/dbraw/zinc/92/52/41/1287925241.db2.gz YMZSGFSVYGIOBW-CHWSQXEVSA-N 2 0 327.856 2.580 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135309543 1287925335 /nfs/dbraw/zinc/92/53/35/1287925335.db2.gz YMZSGFSVYGIOBW-STQMWFEESA-N 2 0 327.856 2.580 20 30 EFEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001135371727 1287978535 /nfs/dbraw/zinc/97/85/35/1287978535.db2.gz IJVZJDCOHUJHTR-HOTGVXAUSA-N 2 0 349.906 2.516 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CC(C)C2)CC1 ZINC001176739815 1288089943 /nfs/dbraw/zinc/08/99/43/1288089943.db2.gz ZXKMUKNBQFNXIZ-JLAWEPINSA-N 2 0 347.547 2.642 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001176925761 1288175851 /nfs/dbraw/zinc/17/58/51/1288175851.db2.gz ARATVDYOUMYWDX-MOPGFXCFSA-N 2 0 347.547 2.644 20 30 EFEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691441 1288268033 /nfs/dbraw/zinc/26/80/33/1288268033.db2.gz URPYOLDRASFVGR-ZWKOTPCHSA-N 2 0 341.540 2.574 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317178 1288385020 /nfs/dbraw/zinc/38/50/20/1288385020.db2.gz PHTVGJFKTYMHNL-HXUWFJFHSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328143 1288392525 /nfs/dbraw/zinc/39/25/25/1288392525.db2.gz AOHURDDQQKMLRZ-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086783607 1288392889 /nfs/dbraw/zinc/39/28/89/1288392889.db2.gz IFXZRPIQPMAQKJ-YESZJQIVSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001177339342 1288398189 /nfs/dbraw/zinc/39/81/89/1288398189.db2.gz CRMSQJMSWYKHNN-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177415918 1288423702 /nfs/dbraw/zinc/42/37/02/1288423702.db2.gz OLEILAPNQCDLRS-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001177466884 1288431860 /nfs/dbraw/zinc/43/18/60/1288431860.db2.gz IAOAWOPDCDTZCT-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CCC ZINC001177466918 1288432079 /nfs/dbraw/zinc/43/20/79/1288432079.db2.gz KTBKMYLGVPPKIN-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824780 1288436126 /nfs/dbraw/zinc/43/61/26/1288436126.db2.gz XNWQJCWJPYMQJE-GJZGRUSLSA-N 2 0 329.916 2.732 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824782 1288436245 /nfs/dbraw/zinc/43/62/45/1288436245.db2.gz XNWQJCWJPYMQJE-LSDHHAIUSA-N 2 0 329.916 2.732 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824779 1288436289 /nfs/dbraw/zinc/43/62/89/1288436289.db2.gz XNWQJCWJPYMQJE-CABCVRRESA-N 2 0 329.916 2.732 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001177437134 1288439971 /nfs/dbraw/zinc/43/99/71/1288439971.db2.gz MYPNLAVWYDOYOW-MRXNPFEDSA-N 2 0 332.492 2.773 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001177440575 1288442661 /nfs/dbraw/zinc/44/26/61/1288442661.db2.gz LVXPZTWCAXJYTQ-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477257 1288462687 /nfs/dbraw/zinc/46/26/87/1288462687.db2.gz BCBPGUOQKYDTJQ-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477623 1288464109 /nfs/dbraw/zinc/46/41/09/1288464109.db2.gz JREKKJWIOQGJLX-KRWDZBQOSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902655 1288570543 /nfs/dbraw/zinc/57/05/43/1288570543.db2.gz XDMJLAYPOZLVMV-IAGOWNOFSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902734 1288571271 /nfs/dbraw/zinc/57/12/71/1288571271.db2.gz YIVSCOAXZUNZIP-CABCVRRESA-N 2 0 341.927 2.734 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178722935 1288868357 /nfs/dbraw/zinc/86/83/57/1288868357.db2.gz WPPURQAGUPYDOL-FQEVSTJZSA-N 2 0 347.547 2.931 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693561 1288873318 /nfs/dbraw/zinc/87/33/18/1288873318.db2.gz WFGZLUSIEFOVAN-IBGZPJMESA-N 2 0 333.520 2.683 20 30 EFEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715477 1288884377 /nfs/dbraw/zinc/88/43/77/1288884377.db2.gz ATTRSHBNJKDWGW-WDSOQIARSA-N 2 0 335.536 2.878 20 30 EFEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715476 1288884641 /nfs/dbraw/zinc/88/46/41/1288884641.db2.gz ATTRSHBNJKDWGW-UHOSZYNNSA-N 2 0 335.536 2.878 20 30 EFEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001178889310 1288961003 /nfs/dbraw/zinc/96/10/03/1288961003.db2.gz SGQQUQKDEJEXAF-UHFFFAOYSA-N 2 0 332.492 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178938717 1288991346 /nfs/dbraw/zinc/99/13/46/1288991346.db2.gz JWGSYHBHSMIABS-UHFFFAOYSA-N 2 0 327.900 2.634 20 30 EFEDRP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001179565203 1289178234 /nfs/dbraw/zinc/17/82/34/1289178234.db2.gz MMEPUCNVAUIRHM-GOSISDBHSA-N 2 0 341.540 2.576 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554300 1289189029 /nfs/dbraw/zinc/18/90/29/1289189029.db2.gz ZSJQKHLMEGMCLR-ICSRJNTNSA-N 2 0 343.515 2.706 20 30 EFEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179585084 1289202986 /nfs/dbraw/zinc/20/29/86/1289202986.db2.gz CEADZTSIPWCHBZ-GOSISDBHSA-N 2 0 327.488 2.651 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001165894508 1312699369 /nfs/dbraw/zinc/69/93/69/1312699369.db2.gz QVWUTSDQRLAPCB-UHFFFAOYSA-N 2 0 333.520 2.539 20 30 EFEDRP C#CCOc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000873246014 1289678747 /nfs/dbraw/zinc/67/87/47/1289678747.db2.gz RMKYRXLITYRHFK-INIZCTEOSA-N 2 0 336.439 2.676 20 30 EFEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000903474548 1312737723 /nfs/dbraw/zinc/73/77/23/1312737723.db2.gz OIQZMIJKFCPYKE-SFHVURJKSA-N 2 0 333.863 2.802 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC001232608753 1312743728 /nfs/dbraw/zinc/74/37/28/1312743728.db2.gz SQDTWKRLCKXGJF-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001181746272 1289927014 /nfs/dbraw/zinc/92/70/14/1289927014.db2.gz PGYAYQNVGOZHQQ-ZHALLVOQSA-N 2 0 335.536 2.900 20 30 EFEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001181959118 1290016837 /nfs/dbraw/zinc/01/68/37/1290016837.db2.gz PEFMPAIONUWDRD-DYESRHJHSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001181959082 1290017443 /nfs/dbraw/zinc/01/74/43/1290017443.db2.gz NOWSUEMCALIHRI-DYESRHJHSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016380023 1312758196 /nfs/dbraw/zinc/75/81/96/1312758196.db2.gz BXMUXXDODWLIKH-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240600 1290316938 /nfs/dbraw/zinc/31/69/38/1290316938.db2.gz MCQWRQWSNDRDDZ-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517179 1290353296 /nfs/dbraw/zinc/35/32/96/1290353296.db2.gz SWVBKQPZGFOTMG-WSTZPKSXSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184652121 1290488571 /nfs/dbraw/zinc/48/85/71/1290488571.db2.gz KVGLFGCCCLDDCL-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184714363 1290497822 /nfs/dbraw/zinc/49/78/22/1290497822.db2.gz XYJZRZTWRYNSTM-HIFRSBDPSA-N 2 0 329.916 2.543 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184724741 1290504012 /nfs/dbraw/zinc/50/40/12/1290504012.db2.gz OVNKPEIVFJIJFU-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001184882984 1290535151 /nfs/dbraw/zinc/53/51/51/1290535151.db2.gz PYNSTOVROCZIJG-RTBURBONSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001184882755 1290535231 /nfs/dbraw/zinc/53/52/31/1290535231.db2.gz NZWFESMWGHHNCS-MJGOQNOKSA-N 2 0 343.515 2.665 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892546 1290539257 /nfs/dbraw/zinc/53/92/57/1290539257.db2.gz QKCDTWHNOIURNE-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001184881784 1290544728 /nfs/dbraw/zinc/54/47/28/1290544728.db2.gz ADVFZFPHSJSWJM-ZWKOTPCHSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185170812 1290609667 /nfs/dbraw/zinc/60/96/67/1290609667.db2.gz RZKFQAZMJHOSFO-ZWKOTPCHSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC001185514828 1290694941 /nfs/dbraw/zinc/69/49/41/1290694941.db2.gz BEIORSABCOPFER-DLBZAZTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001185517844 1290697716 /nfs/dbraw/zinc/69/77/16/1290697716.db2.gz UFBUZRAMLMVSCS-GOEBONIOSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001185546796 1290719035 /nfs/dbraw/zinc/71/90/35/1290719035.db2.gz DKFOXGXPSOHNSO-GDBMZVCRSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598148 1290996836 /nfs/dbraw/zinc/99/68/36/1290996836.db2.gz QCHSCNFLAZPJGR-SFHVURJKSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169016 1291099162 /nfs/dbraw/zinc/09/91/62/1291099162.db2.gz NUNYMAJOLUABRA-MSOLQXFVSA-N 2 0 338.455 2.931 20 30 EFEDRP C=CCN1CCC([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC000877009051 1291105132 /nfs/dbraw/zinc/10/51/32/1291105132.db2.gz GDBNDLRLKIWHFK-CVEARBPZSA-N 2 0 337.508 2.918 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877031243 1291111131 /nfs/dbraw/zinc/11/11/31/1291111131.db2.gz SFQSYMQJWJRZPK-BFYDXBDKSA-N 2 0 333.863 2.599 20 30 EFEDRP C=CCCC[NH+]1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001277758483 1312852169 /nfs/dbraw/zinc/85/21/69/1312852169.db2.gz MZQDPYXRQBMETN-UHFFFAOYSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001166863678 1312855873 /nfs/dbraw/zinc/85/58/73/1312855873.db2.gz OFOYNIPAZAIHDW-UHFFFAOYSA-N 2 0 333.476 2.797 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126696 1291589986 /nfs/dbraw/zinc/58/99/86/1291589986.db2.gz LACBGJFYZRVODV-GBESFXJTSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561060 1291768775 /nfs/dbraw/zinc/76/87/75/1291768775.db2.gz FLOZUQHRLXLPQV-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000957566752 1291777162 /nfs/dbraw/zinc/77/71/62/1291777162.db2.gz VYFHTXZWRJEOCO-UHFFFAOYSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000957568095 1291779844 /nfs/dbraw/zinc/77/98/44/1291779844.db2.gz CSQXRIKVBWBJFO-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779464 1312881325 /nfs/dbraw/zinc/88/13/25/1312881325.db2.gz HXEMUGFDJYIVOT-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016616185 1312883574 /nfs/dbraw/zinc/88/35/74/1312883574.db2.gz AHFSUCJCIDZMKK-CVEARBPZSA-N 2 0 339.911 2.582 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957603282 1291855709 /nfs/dbraw/zinc/85/57/09/1291855709.db2.gz QAGWBVCHECKCDC-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001016621355 1312886686 /nfs/dbraw/zinc/88/66/86/1312886686.db2.gz PGVKREWVDAGSTO-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957620907 1291900930 /nfs/dbraw/zinc/90/09/30/1291900930.db2.gz ONJSSONJZCKBET-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635993 1291934912 /nfs/dbraw/zinc/93/49/12/1291934912.db2.gz ROISGVGFMDAPDV-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652822 1292266172 /nfs/dbraw/zinc/26/61/72/1292266172.db2.gz BEPHLGAHVWBTAG-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652820 1292266266 /nfs/dbraw/zinc/26/62/66/1292266266.db2.gz BEPHLGAHVWBTAG-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417447 1312920044 /nfs/dbraw/zinc/92/00/44/1312920044.db2.gz AIXOKZUVLIHFMH-IAGOWNOFSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461708 1312929692 /nfs/dbraw/zinc/92/96/92/1312929692.db2.gz HMZMWCUIFDHPSU-ZWKOTPCHSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016697451 1312932505 /nfs/dbraw/zinc/93/25/05/1312932505.db2.gz HAUBGFKWBMLONR-GOSISDBHSA-N 2 0 338.455 2.803 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001016707582 1312937869 /nfs/dbraw/zinc/93/78/69/1312937869.db2.gz XSWZRTYAQNSWCF-KRWDZBQOSA-N 2 0 331.504 2.552 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016710448 1312939311 /nfs/dbraw/zinc/93/93/11/1312939311.db2.gz QRNCJDYWEAKAIH-GOSISDBHSA-N 2 0 338.455 2.885 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828691 1292649581 /nfs/dbraw/zinc/64/95/81/1292649581.db2.gz IPOWSEZTZWGWQX-HCXYKTFWSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001016739449 1312953315 /nfs/dbraw/zinc/95/33/15/1312953315.db2.gz ZTGOEAULMFCTQT-MRXNPFEDSA-N 2 0 344.846 2.671 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001016747849 1312956505 /nfs/dbraw/zinc/95/65/05/1312956505.db2.gz FBKGLIQDNQXHMN-IBGZPJMESA-N 2 0 341.499 2.561 20 30 EFEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903840 1292924285 /nfs/dbraw/zinc/92/42/85/1292924285.db2.gz NRCLJXGCIVSOCF-FYQPLNBISA-N 2 0 343.515 2.528 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049524472 1312965896 /nfs/dbraw/zinc/96/58/96/1312965896.db2.gz MDHXFYZALMGLCB-GBESFXJTSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016760899 1312963603 /nfs/dbraw/zinc/96/36/03/1312963603.db2.gz DSLIEHKZHZKDDW-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016760898 1312963678 /nfs/dbraw/zinc/96/36/78/1312963678.db2.gz DSLIEHKZHZKDDW-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588212 1312964090 /nfs/dbraw/zinc/96/40/90/1312964090.db2.gz JFADJPFLRCKUJA-OALUTQOASA-N 2 0 345.531 2.702 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788753 1312981005 /nfs/dbraw/zinc/98/10/05/1312981005.db2.gz CNFFQSXIDDINJW-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016789005 1312981207 /nfs/dbraw/zinc/98/12/07/1312981207.db2.gz FYSOBVHRZPGIRC-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016793311 1312983051 /nfs/dbraw/zinc/98/30/51/1312983051.db2.gz JDJQVFHZHFSUCK-INIZCTEOSA-N 2 0 331.460 2.502 20 30 EFEDRP CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3cccc(C#N)c3)C2)C1 ZINC001203758484 1313008049 /nfs/dbraw/zinc/00/80/49/1313008049.db2.gz ZRHRPNWZTOZRHB-HXUWFJFHSA-N 2 0 327.472 2.881 20 30 EFEDRP CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3cccc(C#N)c3)C2)C1 ZINC001203758482 1313008075 /nfs/dbraw/zinc/00/80/75/1313008075.db2.gz ZRHRPNWZTOZRHB-FQEVSTJZSA-N 2 0 327.472 2.881 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275080 1293562245 /nfs/dbraw/zinc/56/22/45/1293562245.db2.gz NTIONNQZBGVSRP-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246314 1293569677 /nfs/dbraw/zinc/56/96/77/1293569677.db2.gz KXCHEDVEECITPL-SFHVURJKSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203771802 1313011517 /nfs/dbraw/zinc/01/15/17/1313011517.db2.gz PAUFHFSZMNOUGV-RBUKOAKNSA-N 2 0 341.499 2.955 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773331 1313011654 /nfs/dbraw/zinc/01/16/54/1313011654.db2.gz VPZXYKJDLIWZHP-RTBURBONSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001016860491 1313015068 /nfs/dbraw/zinc/01/50/68/1313015068.db2.gz IHTNZPIFLWQEST-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560255 1313018014 /nfs/dbraw/zinc/01/80/14/1313018014.db2.gz CAKQICOJXNLXSM-RTBURBONSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562107 1313020853 /nfs/dbraw/zinc/02/08/53/1313020853.db2.gz UFFQBDOFBUOPJD-MOPGFXCFSA-N 2 0 338.455 2.898 20 30 EFEDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(C#N)c1 ZINC000775648280 1293857600 /nfs/dbraw/zinc/85/76/00/1293857600.db2.gz CNZRRKUFULPOIO-UHFFFAOYSA-N 2 0 334.467 2.942 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922985 1313044157 /nfs/dbraw/zinc/04/41/57/1313044157.db2.gz GTHPZZIQDRQFFW-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203904337 1313044894 /nfs/dbraw/zinc/04/48/94/1313044894.db2.gz SOTWUCMSVRIZRR-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196024900 1294109199 /nfs/dbraw/zinc/10/91/99/1294109199.db2.gz KQEISLILGCQSKL-GOSISDBHSA-N 2 0 341.515 2.947 20 30 EFEDRP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001196309865 1294186512 /nfs/dbraw/zinc/18/65/12/1294186512.db2.gz KCAAFDAVNCICGV-GOSISDBHSA-N 2 0 344.503 2.726 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196424495 1294243525 /nfs/dbraw/zinc/24/35/25/1294243525.db2.gz YSHLOCWDTFATFO-MRXNPFEDSA-N 2 0 326.444 2.837 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619841 1294307898 /nfs/dbraw/zinc/30/78/98/1294307898.db2.gz NFUPYJWBTYPOEN-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204044914 1313070454 /nfs/dbraw/zinc/07/04/54/1313070454.db2.gz DMCBBBBHWHDDLG-UHFFFAOYSA-N 2 0 338.499 2.960 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016982344 1313070681 /nfs/dbraw/zinc/07/06/81/1313070681.db2.gz GTUNGJKQMZZKFN-IBGZPJMESA-N 2 0 341.499 2.909 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303771721 1294578503 /nfs/dbraw/zinc/57/85/03/1294578503.db2.gz CWGMXMQGFQEXPH-FQEVSTJZSA-N 2 0 336.483 2.971 20 30 EFEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303782503 1294579635 /nfs/dbraw/zinc/57/96/35/1294579635.db2.gz NHRCPUCVOMSXRD-UHFFFAOYSA-N 2 0 346.475 2.841 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000303782499 1294579802 /nfs/dbraw/zinc/57/98/02/1294579802.db2.gz NHOVXKWKDGCPJX-UHFFFAOYSA-N 2 0 346.519 2.749 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000303775804 1294580213 /nfs/dbraw/zinc/58/02/13/1294580213.db2.gz HDOWHSPFYQFOPF-AEFFLSMTSA-N 2 0 332.492 2.543 20 30 EFEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[NH+](C)C ZINC000303778705 1294580498 /nfs/dbraw/zinc/58/04/98/1294580498.db2.gz JUCYZVAWJDMXCL-HNNXBMFYSA-N 2 0 334.464 2.551 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+]2CCCC2)c1 ZINC000303789930 1294582208 /nfs/dbraw/zinc/58/22/08/1294582208.db2.gz VWMQNAQSGOMIJI-OAHLLOKOSA-N 2 0 348.491 2.941 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000303879693 1294595111 /nfs/dbraw/zinc/59/51/11/1294595111.db2.gz GTCDGAXCUAFSAM-KRWDZBQOSA-N 2 0 332.492 2.543 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303890816 1294598271 /nfs/dbraw/zinc/59/82/71/1294598271.db2.gz QEPWQGBTUPNEPS-CQSZACIVSA-N 2 0 334.464 2.551 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC000303898716 1294601118 /nfs/dbraw/zinc/60/11/18/1294601118.db2.gz VQOYFMBXCIMDSS-KUHUBIRLSA-N 2 0 348.491 2.941 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+](CC)C2CC2)c1 ZINC000303983643 1294615528 /nfs/dbraw/zinc/61/55/28/1294615528.db2.gz RJBCPFFNVGHWFU-UHFFFAOYSA-N 2 0 334.464 2.695 20 30 EFEDRP CC[C@H](C)NC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000304012334 1294631037 /nfs/dbraw/zinc/63/10/37/1294631037.db2.gz HGAKNEJMSOWVQA-JKSUJKDBSA-N 2 0 332.492 2.589 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345428 1313109243 /nfs/dbraw/zinc/10/92/43/1313109243.db2.gz IIVPOFBIDVWMPL-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258956 1294959300 /nfs/dbraw/zinc/95/93/00/1294959300.db2.gz HCUNQHUFCVPKTJ-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258957 1294960318 /nfs/dbraw/zinc/96/03/18/1294960318.db2.gz HCUNQHUFCVPKTJ-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640242 1313122327 /nfs/dbraw/zinc/12/23/27/1313122327.db2.gz UMRUXALXXLIOPL-ZWKOTPCHSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198774828 1295245593 /nfs/dbraw/zinc/24/55/93/1295245593.db2.gz BFEYYNGGADBCEU-QZTJIDSGSA-N 2 0 345.487 2.503 20 30 EFEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000887134155 1295288403 /nfs/dbraw/zinc/28/84/03/1295288403.db2.gz DCMIIKXERQWSOB-KRWDZBQOSA-N 2 0 328.460 2.693 20 30 EFEDRP C=CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198902861 1295303629 /nfs/dbraw/zinc/30/36/29/1295303629.db2.gz QWCKFDSFBWVYON-SJLPKXTDSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198938934 1295343042 /nfs/dbraw/zinc/34/30/42/1295343042.db2.gz FKTKUAXYOKERON-GOSISDBHSA-N 2 0 347.503 2.750 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953588 1295352716 /nfs/dbraw/zinc/35/27/16/1295352716.db2.gz QWBIRONUHNESDF-SFHVURJKSA-N 2 0 347.503 2.750 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953551 1295353577 /nfs/dbraw/zinc/35/35/77/1295353577.db2.gz PWDPQNUWKUNRRR-GOSISDBHSA-N 2 0 347.503 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049664670 1313156539 /nfs/dbraw/zinc/15/65/39/1313156539.db2.gz RDYAHSGYHRFECJ-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676277 1313170184 /nfs/dbraw/zinc/17/01/84/1313170184.db2.gz NESZFPWQAQOYCZ-QZTJIDSGSA-N 2 0 345.487 2.986 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676278 1313170054 /nfs/dbraw/zinc/17/00/54/1313170054.db2.gz NESZFPWQAQOYCZ-ROUUACIJSA-N 2 0 345.487 2.986 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000104181815 1295733540 /nfs/dbraw/zinc/73/35/40/1295733540.db2.gz CNNRADLLGBSUEN-UHFFFAOYSA-N 2 0 346.519 2.894 20 30 EFEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])Nc2cccc3c2CCCC3)C[C@@H](C)O1 ZINC000304715895 1295733637 /nfs/dbraw/zinc/73/36/37/1295733637.db2.gz ZVHXYUWGHKNPDW-HZPDHXFCSA-N 2 0 344.503 2.791 20 30 EFEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000304739114 1295746288 /nfs/dbraw/zinc/74/62/88/1295746288.db2.gz BAINITGURFEJOR-UHFFFAOYSA-N 2 0 346.475 2.697 20 30 EFEDRP CC[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)Oc1cccc(C)c1 ZINC000304759201 1295749985 /nfs/dbraw/zinc/74/99/85/1295749985.db2.gz QXYRMOLYPOXVEY-IAGOWNOFSA-N 2 0 332.492 2.541 20 30 EFEDRP CCC(CC)(CNC(=[NH2+])N1CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000304764631 1295754645 /nfs/dbraw/zinc/75/46/45/1295754645.db2.gz YGVSZTAUANOSHH-MRXNPFEDSA-N 2 0 332.492 2.543 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274271007 1296050284 /nfs/dbraw/zinc/05/02/84/1296050284.db2.gz YUSPBYQCXSLRII-FQEVSTJZSA-N 2 0 338.455 2.954 20 30 EFEDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001205239730 1313257194 /nfs/dbraw/zinc/25/71/94/1313257194.db2.gz DBQQNWUJMXLMFZ-QFIPXVFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001276037269 1296497925 /nfs/dbraw/zinc/49/79/25/1296497925.db2.gz ZFMHVBDLXFDJGM-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283524 1313264300 /nfs/dbraw/zinc/26/43/00/1313264300.db2.gz DNPHDKFSPGFSBP-RBUKOAKNSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC001205304872 1313267335 /nfs/dbraw/zinc/26/73/35/1313267335.db2.gz GXQGGSHGQOXNOZ-UHFFFAOYSA-N 2 0 338.499 2.960 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049767671 1313278037 /nfs/dbraw/zinc/27/80/37/1313278037.db2.gz QDRPDFVUXSNQEB-IPMKNSEASA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001049768216 1313278998 /nfs/dbraw/zinc/27/89/98/1313278998.db2.gz UVEHFJPSHGGSTM-IPMKNSEASA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768700 1313279653 /nfs/dbraw/zinc/27/96/53/1313279653.db2.gz YQMAGFLXRPOMED-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000960270672 1296677275 /nfs/dbraw/zinc/67/72/75/1296677275.db2.gz HWLMHMGAPYWRRF-DFQSSKMNSA-N 2 0 341.499 2.522 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960274650 1296685491 /nfs/dbraw/zinc/68/54/91/1296685491.db2.gz BJKGEQRJOVFDKW-WOJBJXKFSA-N 2 0 346.434 2.814 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452844 1313292431 /nfs/dbraw/zinc/29/24/31/1313292431.db2.gz SLIOIUDUEMVKLV-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205462162 1313293750 /nfs/dbraw/zinc/29/37/50/1313293750.db2.gz UHMHKELHIKVYPH-KRWDZBQOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461366 1313293834 /nfs/dbraw/zinc/29/38/34/1313293834.db2.gz HOBYDVLWCONKSK-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000960300110 1296717450 /nfs/dbraw/zinc/71/74/50/1296717450.db2.gz LTRDZTYOMNSLPY-SMMRIJLZSA-N 2 0 341.499 2.665 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC000960300256 1296717701 /nfs/dbraw/zinc/71/77/01/1296717701.db2.gz NWFIIBCIUYYQEX-QZTJIDSGSA-N 2 0 339.439 2.513 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000960309553 1296724035 /nfs/dbraw/zinc/72/40/35/1296724035.db2.gz AWMHDZWRFUEUAI-VAMGGRTRSA-N 2 0 341.499 2.807 20 30 EFEDRP C[C@H](Cc1cnccn1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776160846 1296760303 /nfs/dbraw/zinc/76/03/03/1296760303.db2.gz RZALNCOSVZLLHR-MRXNPFEDSA-N 2 0 335.455 2.533 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)Cc2cnccc2OC)CC1 ZINC001205516004 1313303028 /nfs/dbraw/zinc/30/30/28/1313303028.db2.gz JMFRKYSGIDTNDZ-INIZCTEOSA-N 2 0 345.487 2.816 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001201610704 1296965186 /nfs/dbraw/zinc/96/51/86/1296965186.db2.gz PBNWQEVSWDFWBN-OAHLLOKOSA-N 2 0 326.444 2.883 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3cc(F)c(F)c(C#N)c3)cc[nH+]2)CC1 ZINC001201667928 1296980035 /nfs/dbraw/zinc/98/00/35/1296980035.db2.gz MMRHBZRHEOMZCF-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP COc1cc(C#N)c(F)cc1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201668091 1296980276 /nfs/dbraw/zinc/98/02/76/1296980276.db2.gz PQPMAZAGAIRIPH-UHFFFAOYSA-N 2 0 341.390 2.596 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3cc(F)c(C#N)c(F)c3)cc[nH+]2)CC1 ZINC001201672830 1296983587 /nfs/dbraw/zinc/98/35/87/1296983587.db2.gz NLUXRNGOKPCSES-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3c(C#N)ccc(F)c3F)cc[nH+]2)CC1 ZINC001201673312 1296983672 /nfs/dbraw/zinc/98/36/72/1296983672.db2.gz UMSGVRJEXLGVBY-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP Cc1cc(C#N)cc(C#N)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201666494 1297011897 /nfs/dbraw/zinc/01/18/97/1297011897.db2.gz BKSBJJILLZLGMN-UHFFFAOYSA-N 2 0 332.411 2.629 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1F ZINC001205663611 1313333117 /nfs/dbraw/zinc/33/31/17/1313333117.db2.gz DROCDILDXCXTHV-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001205687902 1313338770 /nfs/dbraw/zinc/33/87/70/1313338770.db2.gz BSKBCDMZHJDVHK-JOCHJYFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631515 1313362310 /nfs/dbraw/zinc/36/23/10/1313362310.db2.gz ADFNCUCQJYTCLY-ZWKOTPCHSA-N 2 0 332.492 2.969 20 30 EFEDRP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835214 1313364628 /nfs/dbraw/zinc/36/46/28/1313364628.db2.gz GZYAILORYIFBPE-AQNXPRMDSA-N 2 0 345.531 2.730 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1 ZINC001235693758 1313376852 /nfs/dbraw/zinc/37/68/52/1313376852.db2.gz GBJIEWSRRFQLBW-UHFFFAOYSA-N 2 0 332.451 2.526 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206007110 1313390497 /nfs/dbraw/zinc/39/04/97/1313390497.db2.gz ZBXPZXIJQGEDAL-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206274246 1313429589 /nfs/dbraw/zinc/42/95/89/1313429589.db2.gz FWUJRVDECKOICH-GOSISDBHSA-N 2 0 335.536 2.903 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](CC3CC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001236061211 1313435809 /nfs/dbraw/zinc/43/58/09/1313435809.db2.gz YYEXCTMTEJYLFM-UHFFFAOYSA-N 2 0 342.462 2.599 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610229 1313437650 /nfs/dbraw/zinc/43/76/50/1313437650.db2.gz CHLIRKYUAALTCJ-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017618240 1313441563 /nfs/dbraw/zinc/44/15/63/1313441563.db2.gz PSLOZWMIEDVJCC-GBESFXJTSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[NH2+]CCN(C)C[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1 ZINC001236144754 1313446804 /nfs/dbraw/zinc/44/68/04/1313446804.db2.gz AKXXXXOSOBQGKF-LJQANCHMSA-N 2 0 331.504 2.757 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001206488685 1313463194 /nfs/dbraw/zinc/46/31/94/1313463194.db2.gz XDIXOWOJSZCXRD-QGZVFWFLSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCN(CC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C(=O)OCC ZINC001236371334 1313474006 /nfs/dbraw/zinc/47/40/06/1313474006.db2.gz LDWBYGODTYYMBS-QGZVFWFLSA-N 2 0 337.508 2.875 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206548488 1313474057 /nfs/dbraw/zinc/47/40/57/1313474057.db2.gz PXYXBUBGURWEMC-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[N@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387281 1313475611 /nfs/dbraw/zinc/47/56/11/1313475611.db2.gz XHTFZBCQYBKDQA-UHFFFAOYSA-N 2 0 337.552 2.757 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913878 1313476167 /nfs/dbraw/zinc/47/61/67/1313476167.db2.gz JJACOIWBSRKABL-XUVXKRRUSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049915165 1313478855 /nfs/dbraw/zinc/47/88/55/1313478855.db2.gz TXOWJUUPLXXXRT-VAMGGRTRSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCN(CC[N@H+](CC(C)(C)C)C1CC[NH2+]CC1)C(=O)OCC ZINC001236456309 1313482511 /nfs/dbraw/zinc/48/25/11/1313482511.db2.gz BRPGMHBXTRZONQ-UHFFFAOYSA-N 2 0 325.497 2.731 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049917899 1313482906 /nfs/dbraw/zinc/48/29/06/1313482906.db2.gz JDHLQOZYGFPDRS-GUDVDZBRSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961188627 1298272899 /nfs/dbraw/zinc/27/28/99/1298272899.db2.gz VVZRZVCWLZZMND-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199062 1298304180 /nfs/dbraw/zinc/30/41/80/1298304180.db2.gz JMHAJQMZZBCSPI-MSOLQXFVSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214010 1298340452 /nfs/dbraw/zinc/34/04/52/1298340452.db2.gz RKORFEOHEYLJJQ-IRXDYDNUSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCN(CC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1)C(=O)OCC ZINC001206745382 1313500692 /nfs/dbraw/zinc/50/06/92/1313500692.db2.gz WOSIWZZMELIOEO-UHFFFAOYSA-N 2 0 345.487 2.623 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961243933 1298405500 /nfs/dbraw/zinc/40/55/00/1298405500.db2.gz AKQOBIRJAKMZDT-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961254804 1298428207 /nfs/dbraw/zinc/42/82/07/1298428207.db2.gz TYGVTONIIIKQAN-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268185 1298453994 /nfs/dbraw/zinc/45/39/94/1298453994.db2.gz FTJCWXQOQSLULY-MOPGFXCFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961338505 1298577411 /nfs/dbraw/zinc/57/74/11/1298577411.db2.gz FZCYBIPCVNPZJB-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961349466 1298594851 /nfs/dbraw/zinc/59/48/51/1298594851.db2.gz SQCFHAFQFNFIMZ-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372952 1298636544 /nfs/dbraw/zinc/63/65/44/1298636544.db2.gz FDXZHQUNJQBFFT-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373496 1298638392 /nfs/dbraw/zinc/63/83/92/1298638392.db2.gz HISPBGLWRUHALW-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000961376336 1298643649 /nfs/dbraw/zinc/64/36/49/1298643649.db2.gz RYCKUAFBDPZWCD-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961376244 1298644098 /nfs/dbraw/zinc/64/40/98/1298644098.db2.gz RFTVCZNRADCMJT-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961377989 1298649514 /nfs/dbraw/zinc/64/95/14/1298649514.db2.gz JRGIOQDXIHODJI-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379135 1298651432 /nfs/dbraw/zinc/65/14/32/1298651432.db2.gz QTHPXBMVCCQEJR-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)([NH+](C)C)C1 ZINC000083038219 1298681843 /nfs/dbraw/zinc/68/18/43/1298681843.db2.gz XFYVDJXCAGAPNI-MDYRTPRTSA-N 2 0 344.503 2.925 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431069 1298736642 /nfs/dbraw/zinc/73/66/42/1298736642.db2.gz IBTZUJFMWOIBFF-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961563363 1298885054 /nfs/dbraw/zinc/88/50/54/1298885054.db2.gz CFJFGSPZOXQCBH-WCIQWLHISA-N 2 0 345.531 2.796 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC/C=C/CC)CC2)CC1 ZINC001206948868 1313566242 /nfs/dbraw/zinc/56/62/42/1313566242.db2.gz GMRIVXPHEZQXAP-AATRIKPKSA-N 2 0 345.531 2.516 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC(CC)CC)CC2)CC1 ZINC001206948865 1313566368 /nfs/dbraw/zinc/56/63/68/1313566368.db2.gz GDDZSDKPPCAZBN-UHFFFAOYSA-N 2 0 347.547 2.596 20 30 EFEDRP CCc1cc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)ccc1C#N ZINC001278037211 1313566511 /nfs/dbraw/zinc/56/65/11/1313566511.db2.gz LQDBYYASKYZQRF-UHFFFAOYSA-N 2 0 340.515 2.580 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001206948826 1313566655 /nfs/dbraw/zinc/56/66/55/1313566655.db2.gz CYTPWMDUSHXZCO-UHFFFAOYSA-N 2 0 347.547 2.596 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCCCCC)CC2)CC1 ZINC001206949112 1313567100 /nfs/dbraw/zinc/56/71/00/1313567100.db2.gz QRSTWRKYUWZAEH-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1C#N ZINC001207106566 1313613916 /nfs/dbraw/zinc/61/39/16/1313613916.db2.gz OMZFFKHEZKRCEG-UHFFFAOYSA-N 2 0 338.455 2.978 20 30 EFEDRP Cn1cc(CN2CC[C@@]3(C2)CCC[N@H+](CCC2CC2)C3)cc1C#N ZINC001276513253 1313631534 /nfs/dbraw/zinc/63/15/34/1313631534.db2.gz KUIOAHXPJLPZIR-FQEVSTJZSA-N 2 0 326.488 2.985 20 30 EFEDRP N#Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001237461742 1313649184 /nfs/dbraw/zinc/64/91/84/1313649184.db2.gz CSCLHCONAADXHB-UHFFFAOYSA-N 2 0 347.466 2.836 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]2CC ZINC001207396756 1313674180 /nfs/dbraw/zinc/67/41/80/1313674180.db2.gz SSWWBEWKYNDYMI-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC001114499855 1300326997 /nfs/dbraw/zinc/32/69/97/1300326997.db2.gz XOILZXPSJAKLEO-BPQTVZERSA-N 2 0 338.455 2.657 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114502701 1300332577 /nfs/dbraw/zinc/33/25/77/1300332577.db2.gz ZNCLMEGEGZBFCY-PIIMJCKOSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315446 1300582547 /nfs/dbraw/zinc/58/25/47/1300582547.db2.gz STHOQAFSDMKFRH-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315447 1300582737 /nfs/dbraw/zinc/58/27/37/1300582737.db2.gz STHOQAFSDMKFRH-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963318889 1300589981 /nfs/dbraw/zinc/58/99/81/1300589981.db2.gz FUSZXAZXPJVJKN-JCYILVPMSA-N 2 0 341.927 2.971 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328325 1300611731 /nfs/dbraw/zinc/61/17/31/1300611731.db2.gz NUSCFFTXTSOLJZ-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000963337311 1300632108 /nfs/dbraw/zinc/63/21/08/1300632108.db2.gz NQGLQJSXSAWPMU-QZTJIDSGSA-N 2 0 344.503 2.632 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358197 1300679865 /nfs/dbraw/zinc/67/98/65/1300679865.db2.gz PCWNOXWQOREOTR-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358563 1300681238 /nfs/dbraw/zinc/68/12/38/1300681238.db2.gz UKFQXXJXZCFTHA-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358204 1300681375 /nfs/dbraw/zinc/68/13/75/1300681375.db2.gz PJMJBNAILBKPTD-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963364387 1300695796 /nfs/dbraw/zinc/69/57/96/1300695796.db2.gz BYGHOSPXUZHCEX-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367371 1300704574 /nfs/dbraw/zinc/70/45/74/1300704574.db2.gz OOKLOAVBTLYJQH-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000963367372 1300704767 /nfs/dbraw/zinc/70/47/67/1300704767.db2.gz OOKLOAVBTLYJQH-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384579 1300742915 /nfs/dbraw/zinc/74/29/15/1300742915.db2.gz VHAFAMHRZVEINK-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963389811 1300751076 /nfs/dbraw/zinc/75/10/76/1300751076.db2.gz GUNOABFWFDVJNO-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413254 1300795732 /nfs/dbraw/zinc/79/57/32/1300795732.db2.gz CXVOHAUYKXUQLD-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000963563307 1301063079 /nfs/dbraw/zinc/06/30/79/1301063079.db2.gz INRPJGSUGQKHAU-UYSNPLJNSA-N 2 0 327.900 2.582 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1Cl ZINC001238085552 1313758057 /nfs/dbraw/zinc/75/80/57/1313758057.db2.gz ITJRPVOVFKMUTH-UHFFFAOYSA-N 2 0 336.911 2.917 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000963901955 1301452631 /nfs/dbraw/zinc/45/26/31/1301452631.db2.gz DPMSBJZJZFJNRL-LADRWXRNSA-N 2 0 339.499 2.744 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000963947005 1301505198 /nfs/dbraw/zinc/50/51/98/1301505198.db2.gz LWFHXMGYAZFMRC-QAELIBMJSA-N 2 0 333.520 2.842 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784031 1313773600 /nfs/dbraw/zinc/77/36/00/1313773600.db2.gz BZUQVKLABJSPIQ-ZIFCJYIRSA-N 2 0 344.503 2.699 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000964030220 1301624787 /nfs/dbraw/zinc/62/47/87/1301624787.db2.gz HWFSJPZZQKXQCO-INFDXNDLSA-N 2 0 331.504 2.596 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)C2 ZINC001097079047 1313841493 /nfs/dbraw/zinc/84/14/93/1313841493.db2.gz GNTVCVTZDNSSQU-AFYVEPGGSA-N 2 0 345.531 2.939 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114367869 1302876598 /nfs/dbraw/zinc/87/65/98/1302876598.db2.gz AVQVRYHYZAZXGP-HCXYKTFWSA-N 2 0 335.536 2.878 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001114368688 1302878530 /nfs/dbraw/zinc/87/85/30/1302878530.db2.gz QZAXADDXTJVTHU-HCXYKTFWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261895 1313883923 /nfs/dbraw/zinc/88/39/23/1313883923.db2.gz UKSAWJHPFTVHPI-ZWKOTPCHSA-N 2 0 341.515 2.993 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261894 1313884074 /nfs/dbraw/zinc/88/40/74/1313884074.db2.gz UKSAWJHPFTVHPI-ROUUACIJSA-N 2 0 341.515 2.993 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208261893 1313884354 /nfs/dbraw/zinc/88/43/54/1313884354.db2.gz UKSAWJHPFTVHPI-QZTJIDSGSA-N 2 0 341.515 2.993 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208263897 1313884606 /nfs/dbraw/zinc/88/46/06/1313884606.db2.gz FRLLMUQJYMMRJN-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000965424080 1303179340 /nfs/dbraw/zinc/17/93/40/1303179340.db2.gz GTKSSEOBBIESEE-NQPFRDSSSA-N 2 0 331.504 2.596 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000965424084 1303179949 /nfs/dbraw/zinc/17/99/49/1303179949.db2.gz GTKSSEOBBIESEE-SWPKYLGISA-N 2 0 331.504 2.596 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334077 1313902160 /nfs/dbraw/zinc/90/21/60/1313902160.db2.gz FCTKKRYQHLLCLY-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001208467780 1313937821 /nfs/dbraw/zinc/93/78/21/1313937821.db2.gz UQMNCAUCNPVSPG-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001114401972 1303863924 /nfs/dbraw/zinc/86/39/24/1303863924.db2.gz BEKUMPVWAARHIF-ZRNYENFQSA-N 2 0 347.547 2.757 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1CC ZINC001037870313 1303905745 /nfs/dbraw/zinc/90/57/45/1303905745.db2.gz REBQWALARNFECC-YJBOKZPZSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC001037878315 1304064813 /nfs/dbraw/zinc/06/48/13/1304064813.db2.gz XUFNDTMYKCIDGH-QAPCUYQASA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563873 1313962112 /nfs/dbraw/zinc/96/21/12/1313962112.db2.gz GKTFOKNNFJWGDI-WBVHZDCISA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC ZINC001037887423 1304255070 /nfs/dbraw/zinc/25/50/70/1304255070.db2.gz DUTIFPGQWDFFBA-CRAIPNDOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCOCc1ncn2c1C[N@H+](CC1CC[NH+](CC)CC1)CCC2 ZINC001208596083 1313972143 /nfs/dbraw/zinc/97/21/43/1313972143.db2.gz BDXOTAPPYIMJME-UHFFFAOYSA-N 2 0 332.492 2.523 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114425179 1304345592 /nfs/dbraw/zinc/34/55/92/1304345592.db2.gz AOXBHKJFUFUVMX-XSYGEPLQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001037907334 1304608926 /nfs/dbraw/zinc/60/89/26/1304608926.db2.gz TXRJZFQWLMGCGL-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001037907330 1304608962 /nfs/dbraw/zinc/60/89/62/1304608962.db2.gz TXRJZFQWLMGCGL-CVEARBPZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037923003 1304761032 /nfs/dbraw/zinc/76/10/32/1304761032.db2.gz DMAHMNBMBNHUQM-HZPDHXFCSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967397857 1304944863 /nfs/dbraw/zinc/94/48/63/1304944863.db2.gz SSKQTHCAYQEZGN-CRAIPNDOSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001037944688 1305062640 /nfs/dbraw/zinc/06/26/40/1305062640.db2.gz AUMWLIUVZBCEOR-MJGOQNOKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1CC ZINC001037960274 1305349394 /nfs/dbraw/zinc/34/93/94/1305349394.db2.gz OWSVHSGBQIWFIZ-DOTOQJQBSA-N 2 0 330.476 2.554 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001037977900 1305523780 /nfs/dbraw/zinc/52/37/80/1305523780.db2.gz VLPYLZFXPLSAEF-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC001037981414 1305576974 /nfs/dbraw/zinc/57/69/74/1305576974.db2.gz DXDLJSLZXOVZMV-PKOBYXMFSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968327803 1306137807 /nfs/dbraw/zinc/13/78/07/1306137807.db2.gz SJMIWHVUKPYYTG-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416946 1306285680 /nfs/dbraw/zinc/28/56/80/1306285680.db2.gz BWDPWFTVRSTSMP-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209223971 1314120190 /nfs/dbraw/zinc/12/01/90/1314120190.db2.gz XROXWHYWLDMYGU-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209277737 1314130093 /nfs/dbraw/zinc/13/00/93/1314130093.db2.gz KKXXFKRKRKKEHP-DOTOQJQBSA-N 2 0 333.476 2.890 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001209264073 1314128611 /nfs/dbraw/zinc/12/86/11/1314128611.db2.gz VGMKIGHSJYQSSA-KRWDZBQOSA-N 2 0 347.528 2.859 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097580607 1314132345 /nfs/dbraw/zinc/13/23/45/1314132345.db2.gz HDOUCLSFIXQSME-RLLQIKCJSA-N 2 0 341.499 2.702 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001044661070 1306698070 /nfs/dbraw/zinc/69/80/70/1306698070.db2.gz VNIMYQWVZOIHJQ-ZBFHGGJFSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888745 1306763848 /nfs/dbraw/zinc/76/38/48/1306763848.db2.gz ZACCGSLFZFAIBH-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001044773429 1306791753 /nfs/dbraw/zinc/79/17/53/1306791753.db2.gz AKWGYNKURGTTAT-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925970 1306804325 /nfs/dbraw/zinc/80/43/25/1306804325.db2.gz QWHPKLREJNCWLF-QGZVFWFLSA-N 2 0 338.455 2.640 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073090 1306947331 /nfs/dbraw/zinc/94/73/31/1306947331.db2.gz WNWSXKQATGLNLG-FQEVSTJZSA-N 2 0 341.499 2.746 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001019067909 1314157385 /nfs/dbraw/zinc/15/73/85/1314157385.db2.gz UAWHGSWHUCZTHB-AWEZNQCLSA-N 2 0 327.900 2.582 20 30 EFEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC000969108703 1306984380 /nfs/dbraw/zinc/98/43/80/1306984380.db2.gz JUYOSTKWOPYQSP-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001209451484 1314165767 /nfs/dbraw/zinc/16/57/67/1314165767.db2.gz XVAKZIFWUYYSPZ-FQEVSTJZSA-N 2 0 333.520 2.896 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007343800 1307380295 /nfs/dbraw/zinc/38/02/95/1307380295.db2.gz OHNOQRCZGPCWPB-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454124 1314197058 /nfs/dbraw/zinc/19/70/58/1314197058.db2.gz MHEGTPVDQGDVMB-MKXGPGLRSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097695067 1314199227 /nfs/dbraw/zinc/19/92/27/1314199227.db2.gz QFYHABJYBQYZAN-MANSERQUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695080 1314199366 /nfs/dbraw/zinc/19/93/66/1314199366.db2.gz QQIVBPHFNYJCHK-AKHDSKFASA-N 2 0 331.504 2.691 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209644143 1314208644 /nfs/dbraw/zinc/20/86/44/1314208644.db2.gz ZBJMVGJKRKRWPA-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651175 1314210555 /nfs/dbraw/zinc/21/05/55/1314210555.db2.gz NNLIIWCTTUOOSC-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921192 1307897783 /nfs/dbraw/zinc/89/77/83/1307897783.db2.gz HJXHFDTVYKYVPL-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001209688642 1314217309 /nfs/dbraw/zinc/21/73/09/1314217309.db2.gz GAHVSGUMKKAIOY-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045936168 1307935232 /nfs/dbraw/zinc/93/52/32/1307935232.db2.gz BCESGCGYDCTYII-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001045941064 1307948701 /nfs/dbraw/zinc/94/87/01/1307948701.db2.gz FMKBUASALYTYHO-FPOVZHCZSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273783 1307951535 /nfs/dbraw/zinc/95/15/35/1307951535.db2.gz AJOKHYFCYJHKHE-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001045949959 1307977408 /nfs/dbraw/zinc/97/74/08/1307977408.db2.gz SFSYIPKVCQRGBF-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950518 1307979614 /nfs/dbraw/zinc/97/96/14/1307979614.db2.gz DTCDECXHQBZWHJ-HXUWFJFHSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950989 1307980969 /nfs/dbraw/zinc/98/09/69/1307980969.db2.gz QRBZHHRWCMTMEY-IBGZPJMESA-N 2 0 331.504 2.505 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001045960697 1308006317 /nfs/dbraw/zinc/00/63/17/1308006317.db2.gz QOWOZMXAHHGIHJ-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960581 1308006614 /nfs/dbraw/zinc/00/66/14/1308006614.db2.gz NENLEBOVVDAORI-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001045965357 1308018577 /nfs/dbraw/zinc/01/85/77/1308018577.db2.gz GMAGPLFNLZCSDJ-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045965043 1308018864 /nfs/dbraw/zinc/01/88/64/1308018864.db2.gz BRONPGHNGMABIL-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045966849 1308024172 /nfs/dbraw/zinc/02/41/72/1308024172.db2.gz HXKSRTFPFPOMEC-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045966848 1308024224 /nfs/dbraw/zinc/02/42/24/1308024224.db2.gz HXKSRTFPFPOMEC-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001045967391 1308025009 /nfs/dbraw/zinc/02/50/09/1308025009.db2.gz UACIGFKNDXPGEL-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970213 1308034554 /nfs/dbraw/zinc/03/45/54/1308034554.db2.gz CSNJENXVLXIORF-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001045973508 1308042968 /nfs/dbraw/zinc/04/29/68/1308042968.db2.gz SCOKBLHBPIUSAM-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045973854 1308044742 /nfs/dbraw/zinc/04/47/42/1308044742.db2.gz VZPLZPAEMFHEKM-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976609 1308052699 /nfs/dbraw/zinc/05/26/99/1308052699.db2.gz HEKJPXHGBGNHTJ-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1cncn1C)C2 ZINC001045982084 1308073988 /nfs/dbraw/zinc/07/39/88/1308073988.db2.gz NOAPPZQHCQPFHW-HXUWFJFHSA-N 2 0 344.503 2.633 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983477 1308077770 /nfs/dbraw/zinc/07/77/70/1308077770.db2.gz OJGVAYVAZSHVPX-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045985349 1308083423 /nfs/dbraw/zinc/08/34/23/1308083423.db2.gz RYPMXCZTSWBDMV-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052447289 1314230599 /nfs/dbraw/zinc/23/05/99/1314230599.db2.gz ZVYMSBKHCQDPGC-IRXDYDNUSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319512 1308536847 /nfs/dbraw/zinc/53/68/47/1308536847.db2.gz SZKRGCFDNMSOAB-YLJYHZDGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436146 1308667213 /nfs/dbraw/zinc/66/72/13/1308667213.db2.gz MCYKTYZTTZFMLV-LJQANCHMSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436145 1308667346 /nfs/dbraw/zinc/66/73/46/1308667346.db2.gz MCYKTYZTTZFMLV-IBGZPJMESA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210134189 1314286144 /nfs/dbraw/zinc/28/61/44/1314286144.db2.gz VLALUBIJVMGTTM-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046934282 1309711260 /nfs/dbraw/zinc/71/12/60/1309711260.db2.gz AAPKGUNOCGKUCY-HOTGVXAUSA-N 2 0 343.462 2.509 20 30 EFEDRP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046957937 1309769770 /nfs/dbraw/zinc/76/97/70/1309769770.db2.gz UJXDMTWIFQUCOY-HNNXBMFYSA-N 2 0 348.397 2.597 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001046995355 1309880966 /nfs/dbraw/zinc/88/09/66/1309880966.db2.gz OQWJOUBXGWZTSK-HZPDHXFCSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593900 1314357470 /nfs/dbraw/zinc/35/74/70/1314357470.db2.gz HFWDCMPQUDWNBW-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763679 1314357795 /nfs/dbraw/zinc/35/77/95/1314357795.db2.gz IXAAPHUBHRUURV-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052764647 1314358367 /nfs/dbraw/zinc/35/83/67/1314358367.db2.gz QBPVLROVRSWOAR-SJORKVTESA-N 2 0 341.927 2.973 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210646265 1314366381 /nfs/dbraw/zinc/36/63/81/1314366381.db2.gz WJJYQOMYYBZJNJ-MOPGFXCFSA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786787 1314372436 /nfs/dbraw/zinc/37/24/36/1314372436.db2.gz BTSWADASWXRWHQ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210690463 1314373422 /nfs/dbraw/zinc/37/34/22/1314373422.db2.gz LSJIIJRBCMNVOQ-CVEARBPZSA-N 2 0 330.476 2.697 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231812 1310369143 /nfs/dbraw/zinc/36/91/43/1310369143.db2.gz QDLTWGSVLLXLGU-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047243627 1310397399 /nfs/dbraw/zinc/39/73/99/1310397399.db2.gz MFCBLMIRQMXWSG-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047243998 1310399483 /nfs/dbraw/zinc/39/94/83/1310399483.db2.gz OPBXHLJDGVXANV-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047255618 1310428535 /nfs/dbraw/zinc/42/85/35/1310428535.db2.gz CBAFWYBWXYYFLI-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047257036 1310431754 /nfs/dbraw/zinc/43/17/54/1310431754.db2.gz OLXSOUWOQMJTMN-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813660 1311037018 /nfs/dbraw/zinc/03/70/18/1311037018.db2.gz UDMKNXRIDVTEPA-IPMKNSEASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877821 1311046792 /nfs/dbraw/zinc/04/67/92/1311046792.db2.gz LCYJBSOECFOLNR-GUDVDZBRSA-N 2 0 335.536 2.852 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001222049558 1311073505 /nfs/dbraw/zinc/07/35/05/1311073505.db2.gz FTUWQDQYVWHIQX-AQNXPRMDSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045281 1311073833 /nfs/dbraw/zinc/07/38/33/1311073833.db2.gz GNDSDBAVCSGKOE-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547364 1311101107 /nfs/dbraw/zinc/10/11/07/1311101107.db2.gz DLXXOOPAUWBPFN-YRPNKDGESA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099547216 1311101162 /nfs/dbraw/zinc/10/11/62/1311101162.db2.gz BBHVCOQSDQXVST-YRPNKDGESA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099547213 1311101209 /nfs/dbraw/zinc/10/12/09/1311101209.db2.gz BBHVCOQSDQXVST-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP C[C@H](C#N)OCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000801936504 1311125982 /nfs/dbraw/zinc/12/59/82/1311125982.db2.gz UWUFVPUOBFZJNN-GOSISDBHSA-N 2 0 327.472 2.903 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442277 1311132099 /nfs/dbraw/zinc/13/20/99/1311132099.db2.gz HPAAVZKDFZOQGO-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001222442278 1311132515 /nfs/dbraw/zinc/13/25/15/1311132515.db2.gz HPAAVZKDFZOQGO-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714580 1311176526 /nfs/dbraw/zinc/17/65/26/1311176526.db2.gz ABMDHYOCNNHBIK-HCXYKTFWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891214 1311195485 /nfs/dbraw/zinc/19/54/85/1311195485.db2.gz BFLMITYGBXVZHQ-HOJAQTOUSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001223182178 1311227082 /nfs/dbraw/zinc/22/70/82/1311227082.db2.gz YOIWWLOVRLOFAA-YZGWKJHDSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001101231314 1311228069 /nfs/dbraw/zinc/22/80/69/1311228069.db2.gz XTDJPVIKONBCOZ-GGPKGHCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001101552421 1311249437 /nfs/dbraw/zinc/24/94/37/1311249437.db2.gz DYRGNIAQFLWUDQ-IBGZPJMESA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCCC[N@@H+]1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001276887990 1311256315 /nfs/dbraw/zinc/25/63/15/1311256315.db2.gz RAJDVFSGMUABND-UHFFFAOYSA-N 2 0 344.503 2.553 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489452 1311268092 /nfs/dbraw/zinc/26/80/92/1311268092.db2.gz PNOAPEAVSGCYDJ-QRVBRYPASA-N 2 0 335.536 2.996 20 30 EFEDRP CCCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976217 1311271400 /nfs/dbraw/zinc/27/14/00/1311271400.db2.gz PWZWKFHVALGXHM-MISYRCLQSA-N 2 0 349.563 2.983 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001223578521 1311277614 /nfs/dbraw/zinc/27/76/14/1311277614.db2.gz YQBSPLLIKOVRTN-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001223578520 1311277672 /nfs/dbraw/zinc/27/76/72/1311277672.db2.gz YQBSPLLIKOVRTN-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901355 1311318780 /nfs/dbraw/zinc/31/87/80/1311318780.db2.gz YCKCHLDQCWZCRG-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426658 1311358038 /nfs/dbraw/zinc/35/80/38/1311358038.db2.gz HLDNYKLQOHBZLZ-OIISXLGYSA-N 2 0 343.943 2.934 20 30 EFEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](CCC)CCC ZINC001158739724 1311377662 /nfs/dbraw/zinc/37/76/62/1311377662.db2.gz QHKDSXVZHKKMLU-LJQANCHMSA-N 2 0 335.536 2.835 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763212 1311382517 /nfs/dbraw/zinc/38/25/17/1311382517.db2.gz BRBPIIDESLPKHB-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224558970 1311407082 /nfs/dbraw/zinc/40/70/82/1311407082.db2.gz KZMZOEJEIDKHAC-SFHVURJKSA-N 2 0 335.536 2.903 20 30 EFEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158914936 1311416199 /nfs/dbraw/zinc/41/61/99/1311416199.db2.gz WJUKXNHKNKMNKY-HXUWFJFHSA-N 2 0 341.499 2.698 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001158915011 1311416550 /nfs/dbraw/zinc/41/65/50/1311416550.db2.gz ZSJHMEFZXMUMAE-HXUWFJFHSA-N 2 0 345.531 2.611 20 30 EFEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001158943303 1311421254 /nfs/dbraw/zinc/42/12/54/1311421254.db2.gz UTJUVPPOTCEBSI-QGZVFWFLSA-N 2 0 345.487 2.681 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224796262 1311436075 /nfs/dbraw/zinc/43/60/75/1311436075.db2.gz OSEDKSMEUAAJIH-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[NH+]1CCC(CNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001225143326 1311481735 /nfs/dbraw/zinc/48/17/35/1311481735.db2.gz XICGDWWRBONKPL-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001225174140 1311486487 /nfs/dbraw/zinc/48/64/87/1311486487.db2.gz HOZFTUMSZCBWCZ-INIZCTEOSA-N 2 0 344.503 2.944 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434308 1311513866 /nfs/dbraw/zinc/51/38/66/1311513866.db2.gz LSSUHQHZSMTZBH-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1cccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001159459716 1311519991 /nfs/dbraw/zinc/51/99/91/1311519991.db2.gz BUGWCBRVYTWYDZ-UHFFFAOYSA-N 2 0 345.450 2.863 20 30 EFEDRP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159628763 1311555384 /nfs/dbraw/zinc/55/53/84/1311555384.db2.gz PMHKMBRUEBXVCB-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP CC(C)([NH3+])c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001159749085 1311577957 /nfs/dbraw/zinc/57/79/57/1311577957.db2.gz XGHGWCLJOATEKJ-UHFFFAOYSA-N 2 0 335.455 2.905 20 30 EFEDRP N#Cc1cc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159921707 1311609113 /nfs/dbraw/zinc/60/91/13/1311609113.db2.gz DFCIOQUCGMUZFW-FQEVSTJZSA-N 2 0 334.423 2.729 20 30 EFEDRP N#Cc1cc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)cc(C2C[NH2+]C2)c1 ZINC001159981634 1311622545 /nfs/dbraw/zinc/62/25/45/1311622545.db2.gz MCRGBVBOBDEDLE-GOSISDBHSA-N 2 0 347.466 2.916 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160130975 1311649989 /nfs/dbraw/zinc/64/99/89/1311649989.db2.gz AVBJWFYFKQZDBF-WOJBJXKFSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360406 1311697223 /nfs/dbraw/zinc/69/72/23/1311697223.db2.gz QMIKORVAWTUDMW-QFBILLFUSA-N 2 0 333.520 2.820 20 30 EFEDRP C=CCCCCC[NH2+]C12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2 ZINC001277151861 1311715914 /nfs/dbraw/zinc/71/59/14/1311715914.db2.gz NJYGJKQTCDUJOI-UHFFFAOYSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277152787 1311717370 /nfs/dbraw/zinc/71/73/70/1311717370.db2.gz VJZFUGIJFDGNQV-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160491293 1311721399 /nfs/dbraw/zinc/72/13/99/1311721399.db2.gz AXXLQLCFAKAMSD-UHFFFAOYSA-N 2 0 345.531 2.967 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001160525026 1311728636 /nfs/dbraw/zinc/72/86/36/1311728636.db2.gz XXXWWPDLOMQHFV-GOSISDBHSA-N 2 0 342.487 2.550 20 30 EFEDRP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567744 1311738909 /nfs/dbraw/zinc/73/89/09/1311738909.db2.gz LAFSHDHPJZIYCR-LJQANCHMSA-N 2 0 333.520 2.821 20 30 EFEDRP C#C[C@H](CC)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227160309 1311769920 /nfs/dbraw/zinc/76/99/20/1311769920.db2.gz FRTMEODODBTHDJ-LJQANCHMSA-N 3 0 331.504 2.662 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227619557 1311831602 /nfs/dbraw/zinc/83/16/02/1311831602.db2.gz RLSVOQSNOSYJBQ-SFHVURJKSA-N 2 0 341.515 2.993 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161020161 1311838798 /nfs/dbraw/zinc/83/87/98/1311838798.db2.gz DSSPPLQSOSGUBZ-KRWDZBQOSA-N 2 0 333.520 2.821 20 30 EFEDRP CCCCCCCC[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277232364 1311841256 /nfs/dbraw/zinc/84/12/56/1311841256.db2.gz YNTZXVAVUFPBNI-SFHVURJKSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001227704412 1311842164 /nfs/dbraw/zinc/84/21/64/1311842164.db2.gz YLTAYFSSWSHQDJ-QRVBRYPASA-N 2 0 333.520 2.844 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001227704158 1311842382 /nfs/dbraw/zinc/84/23/82/1311842382.db2.gz SKSHJNISPDNGTQ-QZTJIDSGSA-N 2 0 333.520 2.539 20 30 EFEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048525333 1311861380 /nfs/dbraw/zinc/86/13/80/1311861380.db2.gz CHXOXLXZWIRZEL-GSEOLPGOSA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048538018 1311877717 /nfs/dbraw/zinc/87/77/17/1311877717.db2.gz IGSPGLQWFJTSMF-FCGDIQPGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@@H]3CCCC[NH+]31)C2 ZINC001048538259 1311879121 /nfs/dbraw/zinc/87/91/21/1311879121.db2.gz NQSJWLYELITCBF-OYSTVDSJSA-N 2 0 331.504 2.549 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001228097042 1311898940 /nfs/dbraw/zinc/89/89/40/1311898940.db2.gz XZMLUSBQIREQFB-KRWDZBQOSA-N 2 0 344.503 2.843 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491734 1311899705 /nfs/dbraw/zinc/89/97/05/1311899705.db2.gz MJHVLFAAIRVLHD-LJQANCHMSA-N 2 0 333.520 2.515 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492457 1311899626 /nfs/dbraw/zinc/89/96/26/1311899626.db2.gz XJASRDUPBBLUGG-LJQANCHMSA-N 2 0 333.520 2.515 20 30 EFEDRP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001161497062 1311900853 /nfs/dbraw/zinc/90/08/53/1311900853.db2.gz QYULHQBCQRFLMU-UHFFFAOYSA-N 2 0 333.520 2.660 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001228151460 1311908316 /nfs/dbraw/zinc/90/83/16/1311908316.db2.gz VGBDLVZWBWOHGL-VAMGGRTRSA-N 2 0 345.531 2.824 20 30 EFEDRP 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 ZINC001048583422 1311933344 /nfs/dbraw/zinc/93/33/44/1311933344.db2.gz KOTAFFLUCDOYKT-IEWDOMPSSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161864133 1311990667 /nfs/dbraw/zinc/99/06/67/1311990667.db2.gz YFXOOZROMWWWRL-IBGZPJMESA-N 2 0 333.520 2.823 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938615 1312008463 /nfs/dbraw/zinc/00/84/63/1312008463.db2.gz RZPRCWZGRJIPFO-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001161947097 1312010853 /nfs/dbraw/zinc/01/08/53/1312010853.db2.gz XVLGFKVDOPDFEY-GOSISDBHSA-N 2 0 345.531 2.516 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001229223247 1312063661 /nfs/dbraw/zinc/06/36/61/1312063661.db2.gz MLOVMIIXWDPZRE-UHFFFAOYSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001229262872 1312069220 /nfs/dbraw/zinc/06/92/20/1312069220.db2.gz YPMQKEJAXWQUIV-QZTJIDSGSA-N 2 0 344.503 2.851 20 30 EFEDRP N#Cc1c(Cl)c2ccccc2nc1NCCC[NH2+]CCCC[NH3+] ZINC001162292907 1312082483 /nfs/dbraw/zinc/08/24/83/1312082483.db2.gz SDELSCCOKNOVFB-UHFFFAOYSA-N 2 0 331.851 2.890 20 30 EFEDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902790822 1312110123 /nfs/dbraw/zinc/11/01/23/1312110123.db2.gz RKDJHOTZBDYSDP-FXAWDEMLSA-N 2 0 328.504 2.873 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001162811049 1312181032 /nfs/dbraw/zinc/18/10/32/1312181032.db2.gz YQXXRLCYSQWZIW-UYAOXDASSA-N 2 0 343.515 2.564 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001162840805 1312187850 /nfs/dbraw/zinc/18/78/50/1312187850.db2.gz BGTWUVRMTWVJQD-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)[NH+](C)C ZINC001162840793 1312187903 /nfs/dbraw/zinc/18/79/03/1312187903.db2.gz AQHNRLRNULBTHA-HXUWFJFHSA-N 2 0 345.531 2.954 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC001162859805 1312192466 /nfs/dbraw/zinc/19/24/66/1312192466.db2.gz KZDIHKRHLIGTAO-UHFFFAOYSA-N 2 0 348.450 2.795 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)[NH+](C)C ZINC001162935180 1312206535 /nfs/dbraw/zinc/20/65/35/1312206535.db2.gz SEXREQOPMSOWRR-IBGZPJMESA-N 2 0 331.504 2.564 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603268 1312208232 /nfs/dbraw/zinc/20/82/32/1312208232.db2.gz QJSFNWYWCHHPIU-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982829 1312218471 /nfs/dbraw/zinc/21/84/71/1312218471.db2.gz QXWAJPUVQDGXOZ-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001162997130 1312221706 /nfs/dbraw/zinc/22/17/06/1312221706.db2.gz LZBZSSNTOIWYEH-UHFFFAOYSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+]1CCCC1 ZINC001163002198 1312224025 /nfs/dbraw/zinc/22/40/25/1312224025.db2.gz YXSXPDCVSWICCG-UHFFFAOYSA-N 2 0 343.515 2.709 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]2COCCC23C[NH2+]C3)cc1 ZINC001163081931 1312237405 /nfs/dbraw/zinc/23/74/05/1312237405.db2.gz NXFYWGOPUXELMD-RBUKOAKNSA-N 2 0 327.472 2.800 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598688 1312279263 /nfs/dbraw/zinc/27/92/63/1312279263.db2.gz WXJVVZYICTYFNV-PMACEKPBSA-N 2 0 347.547 2.833 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001230604866 1312280332 /nfs/dbraw/zinc/28/03/32/1312280332.db2.gz JZZNBLKHXBIBJY-IBGZPJMESA-N 2 0 347.547 2.691 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230612816 1312283833 /nfs/dbraw/zinc/28/38/33/1312283833.db2.gz GDMKJQJRWWSNSZ-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230618387 1312285832 /nfs/dbraw/zinc/28/58/32/1312285832.db2.gz MICQQMNFOACEQM-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230617849 1312285933 /nfs/dbraw/zinc/28/59/33/1312285933.db2.gz GPYSAYGXEFYTIY-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230621836 1312287786 /nfs/dbraw/zinc/28/77/86/1312287786.db2.gz HPPNFQMKJROIDR-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714088 1312296917 /nfs/dbraw/zinc/29/69/17/1312296917.db2.gz UAJQLEZYFSSVDZ-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003105 1312348414 /nfs/dbraw/zinc/34/84/14/1312348414.db2.gz CBTJFUBETDUEGS-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+](CCCNC(=O)CC[N@@H+](C)CC)Cc1cccnc1 ZINC001230890438 1312382499 /nfs/dbraw/zinc/38/24/99/1312382499.db2.gz CLFLWPCMZGIHMM-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=CCCC[NH+](CCCNC(=O)C[N@@H+](C)CCC)Cc1cccnc1 ZINC001230907006 1312387816 /nfs/dbraw/zinc/38/78/16/1312387816.db2.gz YOBQXRYZRKUXQP-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491881 1312525153 /nfs/dbraw/zinc/52/51/53/1312525153.db2.gz PAAIQKZXRWBWDZ-MRXNPFEDSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531139 1312533971 /nfs/dbraw/zinc/53/39/71/1312533971.db2.gz AHQLIQOKNDYSCR-ROUUACIJSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531465 1312534277 /nfs/dbraw/zinc/53/42/77/1312534277.db2.gz JQJULHPJDOQNSI-MSOLQXFVSA-N 2 0 333.520 2.703 20 30 EFEDRP C=CCOc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001231625574 1312534633 /nfs/dbraw/zinc/53/46/33/1312534633.db2.gz VJCNHIKUDGUIEH-UHFFFAOYSA-N 2 0 333.520 2.957 20 30 EFEDRP C=CCN1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165031783 1312560921 /nfs/dbraw/zinc/56/09/21/1312560921.db2.gz VPQKAAJNRLQZSM-UHFFFAOYSA-N 2 0 348.494 2.948 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165314181 1312607283 /nfs/dbraw/zinc/60/72/83/1312607283.db2.gz IEIYSGZICDASAP-INIZCTEOSA-N 2 0 327.488 2.509 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165314182 1312607420 /nfs/dbraw/zinc/60/74/20/1312607420.db2.gz IEIYSGZICDASAP-MRXNPFEDSA-N 2 0 327.488 2.509 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049234762 1312609978 /nfs/dbraw/zinc/60/99/78/1312609978.db2.gz HWVYXFKHJACWKK-CALCHBBNSA-N 2 0 347.890 2.505 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235608 1312610470 /nfs/dbraw/zinc/61/04/70/1312610470.db2.gz PGOZNNLDGFKOGN-ZCNNSNEGSA-N 2 0 347.547 2.853 20 30 EFEDRP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](CC(F)F)CC3)C2)cc1C#N ZINC001277644796 1312668339 /nfs/dbraw/zinc/66/83/39/1312668339.db2.gz GEGBUGUNYGBQFF-UHFFFAOYSA-N 2 0 336.430 2.840 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052858199 1314425702 /nfs/dbraw/zinc/42/57/02/1314425702.db2.gz AAKQLBFTFSBWMH-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C[NH2+]Cc1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c1 ZINC001211137071 1314438337 /nfs/dbraw/zinc/43/83/37/1314438337.db2.gz CFGRTYSSIAINRG-UHFFFAOYSA-N 2 0 335.455 2.773 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001211233579 1314461179 /nfs/dbraw/zinc/46/11/79/1314461179.db2.gz IXBVMUISUUDNJT-YJJPMGAVSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001052989806 1314546236 /nfs/dbraw/zinc/54/62/36/1314546236.db2.gz XTCGPTUMWXKKPF-KDURUIRLSA-N 2 0 345.531 2.748 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@]12C[NH2+]C[C@H]1COC2 ZINC001245985968 1314560221 /nfs/dbraw/zinc/56/02/21/1314560221.db2.gz UHWVMBRAMXVOLU-OTWHNJEPSA-N 2 0 326.525 2.704 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H](O)C1CC[NH2+]CC1 ZINC001246005602 1314565168 /nfs/dbraw/zinc/56/51/68/1314565168.db2.gz VVXQDVLWQPMUTN-OALUTQOASA-N 2 0 328.541 2.828 20 30 EFEDRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001246052934 1314575213 /nfs/dbraw/zinc/57/52/13/1314575213.db2.gz MPSIOIWZKNFPDX-XZOQPEGZSA-N 2 0 348.490 2.681 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029495 1314603130 /nfs/dbraw/zinc/60/31/30/1314603130.db2.gz SOQIVQOSPRTXAO-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCCC[N@H+](CCN)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246312565 1314609303 /nfs/dbraw/zinc/60/93/03/1314609303.db2.gz WIUKNSUTHDBOIY-UHFFFAOYSA-N 2 0 325.541 2.909 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246527011 1314642591 /nfs/dbraw/zinc/64/25/91/1314642591.db2.gz RUQMJXCFZPLXJM-JWTNVVGKSA-N 2 0 347.503 2.770 20 30 EFEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246564161 1314648857 /nfs/dbraw/zinc/64/88/57/1314648857.db2.gz WCKLPSFVSXSLTC-MHJFOBGBSA-N 2 0 327.472 2.566 20 30 EFEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246626746 1314660553 /nfs/dbraw/zinc/66/05/53/1314660553.db2.gz KOCGXKFJFNRLPU-YLJYHZDGSA-N 2 0 335.536 2.927 20 30 EFEDRP CCCCCCCCCC[C@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246821950 1314689429 /nfs/dbraw/zinc/68/94/29/1314689429.db2.gz PUYQVAVINJHOBO-FQEVSTJZSA-N 2 0 340.600 2.990 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088193 1314695485 /nfs/dbraw/zinc/69/54/85/1314695485.db2.gz QUXBBDKTFUNPSD-ICSRJNTNSA-N 2 0 345.531 2.587 20 30 EFEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880096 1314701767 /nfs/dbraw/zinc/70/17/67/1314701767.db2.gz PVXYMAUMEPFMCE-YHYVQYDKSA-N 2 0 331.463 2.962 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882509 1314702096 /nfs/dbraw/zinc/70/20/96/1314702096.db2.gz YUSSGIWNQLGAKU-WTOYTKOKSA-N 2 0 331.463 2.962 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053096054 1314707224 /nfs/dbraw/zinc/70/72/24/1314707224.db2.gz OMIOXOUVHHOKTI-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053098953 1314713366 /nfs/dbraw/zinc/71/33/66/1314713366.db2.gz RILRMXBAXYXARF-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103964 1314723426 /nfs/dbraw/zinc/72/34/26/1314723426.db2.gz BEBKUOXNBRXBHX-WOJBJXKFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948039 1314761820 /nfs/dbraw/zinc/76/18/20/1314761820.db2.gz JEPJBLCULYKKCO-FGTMMUONSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248075 1314818282 /nfs/dbraw/zinc/81/82/82/1314818282.db2.gz LUGDPFQKNBTLBB-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474387 1314840228 /nfs/dbraw/zinc/84/02/28/1314840228.db2.gz PLARMHNJAGJLOW-KZNAEPCWSA-N 2 0 325.541 2.980 20 30 EFEDRP CC(C)(C)c1ccc(-c2noc(C[C@@H]([NH3+])CCCC[NH3+])n2)c(C#N)c1 ZINC001248224161 1314909159 /nfs/dbraw/zinc/90/91/59/1314909159.db2.gz TZKKCBURACMOMB-HNNXBMFYSA-N 2 0 341.459 2.905 20 30 EFEDRP N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc3c2CC[NH2+]C3)C1 ZINC001218337689 1315181257 /nfs/dbraw/zinc/18/12/57/1315181257.db2.gz ZDTNHKUPRGUGET-LJQANCHMSA-N 2 0 333.435 2.857 20 30 EFEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218555211 1315214292 /nfs/dbraw/zinc/21/42/92/1315214292.db2.gz XZKZITHIWXVPRN-AWEZNQCLSA-N 2 0 332.473 2.668 20 30 EFEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1sc2ccccc2c1C#N ZINC001218649288 1315226057 /nfs/dbraw/zinc/22/60/57/1315226057.db2.gz VSUCSUDEWXUQLS-AWEZNQCLSA-N 2 0 330.457 2.771 20 30 EFEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278588144 1315236085 /nfs/dbraw/zinc/23/60/85/1315236085.db2.gz KPABQXWBQBDSBG-OYRHEFFESA-N 2 0 349.482 2.599 20 30 EFEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219532630 1315320874 /nfs/dbraw/zinc/32/08/74/1315320874.db2.gz BKHJUOGKHWLKPM-KEYYUXOJSA-N 2 0 329.444 2.537 20 30 EFEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054132807 1315341947 /nfs/dbraw/zinc/34/19/47/1315341947.db2.gz ORIJLCBDDBFELH-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133955 1315344690 /nfs/dbraw/zinc/34/46/90/1315344690.db2.gz QOWIYUOHUDOMCT-TZIWHRDSSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135561 1315347280 /nfs/dbraw/zinc/34/72/80/1315347280.db2.gz GAYDPQHUBMNSEG-NLWGTHIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054140789 1315355489 /nfs/dbraw/zinc/35/54/89/1315355489.db2.gz ZGTRATFEVSKQJH-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144612 1315362699 /nfs/dbraw/zinc/36/26/99/1315362699.db2.gz AMTHVJMCPJEHER-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145365 1315363927 /nfs/dbraw/zinc/36/39/27/1315363927.db2.gz ODTJLEUJDHKKFL-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145367 1315364519 /nfs/dbraw/zinc/36/45/19/1315364519.db2.gz ODTJLEUJDHKKFL-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054151786 1315374522 /nfs/dbraw/zinc/37/45/22/1315374522.db2.gz RPOUTEKCTMNDFU-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153610 1315377762 /nfs/dbraw/zinc/37/77/62/1315377762.db2.gz UYJCSERSVNWSCS-SJLPKXTDSA-N 2 0 339.911 2.538 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054156825 1315383157 /nfs/dbraw/zinc/38/31/57/1315383157.db2.gz YOVQXHJDASSUDZ-OAQYLSRUSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164795 1315396329 /nfs/dbraw/zinc/39/63/29/1315396329.db2.gz SCXWUOOGASEYDW-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054170177 1315403967 /nfs/dbraw/zinc/40/39/67/1315403967.db2.gz CIBCLXYAMYATAO-PZJWPPBQSA-N 2 0 345.531 2.751 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252130454 1315416642 /nfs/dbraw/zinc/41/66/42/1315416642.db2.gz QSQQKGRCINXZGZ-FQEVSTJZSA-N 2 0 339.568 2.811 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252139172 1315418627 /nfs/dbraw/zinc/41/86/27/1315418627.db2.gz KBNZOIKWSVTDJO-LJQANCHMSA-N 2 0 326.525 2.798 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054185236 1315426754 /nfs/dbraw/zinc/42/67/54/1315426754.db2.gz WFFWACXGJJLHSY-CMKODMSKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054197468 1315441252 /nfs/dbraw/zinc/44/12/52/1315441252.db2.gz CECLITWFKSBFKL-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001054197325 1315441873 /nfs/dbraw/zinc/44/18/73/1315441873.db2.gz VZXXJOKYSNYDQY-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001220868803 1315458355 /nfs/dbraw/zinc/45/83/55/1315458355.db2.gz VBDOFEHKTZPUCC-GBESFXJTSA-N 2 0 327.472 2.636 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209627 1315460102 /nfs/dbraw/zinc/46/01/02/1315460102.db2.gz UIVTYOZHOWLGGV-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209629 1315460660 /nfs/dbraw/zinc/46/06/60/1315460660.db2.gz UIVTYOZHOWLGGV-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552194 1315466692 /nfs/dbraw/zinc/46/66/92/1315466692.db2.gz HQTFTIHCZWMKRU-WOJBJXKFSA-N 2 0 344.499 2.679 20 30 EFEDRP C=CCC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001252593553 1315472100 /nfs/dbraw/zinc/47/21/00/1315472100.db2.gz JNMMTSHYLOOOOR-QGZVFWFLSA-N 2 0 325.456 2.992 20 30 EFEDRP C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597196 1315473063 /nfs/dbraw/zinc/47/30/63/1315473063.db2.gz WDKKRBOUUPQCKV-MSOLQXFVSA-N 2 0 348.487 2.662 20 30 EFEDRP C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001252597197 1315473104 /nfs/dbraw/zinc/47/31/04/1315473104.db2.gz WDKKRBOUUPQCKV-QZTJIDSGSA-N 2 0 348.487 2.662 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039139550 1315527769 /nfs/dbraw/zinc/52/77/69/1315527769.db2.gz JAVPKMSANQGYMR-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140232 1315528325 /nfs/dbraw/zinc/52/83/25/1315528325.db2.gz RBAHEEMVYUPUAC-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163883 1315562883 /nfs/dbraw/zinc/56/28/83/1315562883.db2.gz BTQDKIPOEWELBE-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001253227024 1315582901 /nfs/dbraw/zinc/58/29/01/1315582901.db2.gz DVZQWPIVYIVKKD-HXUWFJFHSA-N 2 0 339.568 2.833 20 30 EFEDRP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253236140 1315583155 /nfs/dbraw/zinc/58/31/55/1315583155.db2.gz AESRWBLRZVCJLP-SLFFLAALSA-N 2 0 337.552 2.584 20 30 EFEDRP C=CCCCCCC[C@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001253250376 1315584471 /nfs/dbraw/zinc/58/44/71/1315584471.db2.gz XWUXNKXWIWCQJG-IBGZPJMESA-N 2 0 326.525 2.964 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180349 1315587408 /nfs/dbraw/zinc/58/74/08/1315587408.db2.gz PJNBGQLSOPDVAX-OALUTQOASA-N 2 0 335.536 2.709 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205255 1315618150 /nfs/dbraw/zinc/61/81/50/1315618150.db2.gz NXZYFEIWPOSYEY-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225739 1315646647 /nfs/dbraw/zinc/64/66/47/1315646647.db2.gz QVUIFXIQHRPQRI-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226564 1315647871 /nfs/dbraw/zinc/64/78/71/1315647871.db2.gz WHNJKOSDXCKQPJ-OALUTQOASA-N 2 0 344.503 2.942 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234159 1315657651 /nfs/dbraw/zinc/65/76/51/1315657651.db2.gz PRCWGAXSIYMTPM-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240381 1315667668 /nfs/dbraw/zinc/66/76/68/1315667668.db2.gz VGDOLBLAIHMXQN-IAGOWNOFSA-N 2 0 330.476 2.621 20 30 EFEDRP N#CC[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038661 1315668420 /nfs/dbraw/zinc/66/84/20/1315668420.db2.gz MUHCDXCTUWMESL-LJQANCHMSA-N 2 0 327.472 2.639 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039288232 1315703056 /nfs/dbraw/zinc/70/30/56/1315703056.db2.gz WVVLIFAIOKALRT-RAFMOHDBSA-N 2 0 345.531 2.939 20 30 EFEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001254501027 1315709963 /nfs/dbraw/zinc/70/99/63/1315709963.db2.gz PABQZWQUCFYVOR-IBGZPJMESA-N 2 0 326.488 2.597 20 30 EFEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001254507613 1315711927 /nfs/dbraw/zinc/71/19/27/1315711927.db2.gz DEVVSXJNQZSCJX-LJQANCHMSA-N 2 0 326.488 2.597 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)C1 ZINC001254517824 1315713993 /nfs/dbraw/zinc/71/39/93/1315713993.db2.gz YURONMFIBQVMGJ-SFHVURJKSA-N 2 0 349.519 2.971 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[NH+](C)CC1)[C@H]2CC ZINC001254517704 1315714217 /nfs/dbraw/zinc/71/42/17/1315714217.db2.gz JELBEXQNWXEFFE-HBFSDRIKSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039313580 1315714843 /nfs/dbraw/zinc/71/48/43/1315714843.db2.gz CWGJXKYADHTUTG-YQQQUEKLSA-N 2 0 333.520 2.940 20 30 EFEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001254645996 1315734762 /nfs/dbraw/zinc/73/47/62/1315734762.db2.gz IOAQZBJWQRKXSH-UAFMIMERSA-N 2 0 330.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039373427 1315746491 /nfs/dbraw/zinc/74/64/91/1315746491.db2.gz UFPUWDLHDBWGCQ-CEXWTWQISA-N 2 0 333.520 2.891 20 30 EFEDRP N#CC1(N[C@H]2CC3CC[NH+](CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254841804 1315748392 /nfs/dbraw/zinc/74/83/92/1315748392.db2.gz BJLKTFXZUJSEBG-FQEVSTJZSA-N 2 0 338.499 2.619 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392242 1315759774 /nfs/dbraw/zinc/75/97/74/1315759774.db2.gz JLXXWXBCQMJZFS-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397576 1315763848 /nfs/dbraw/zinc/76/38/48/1315763848.db2.gz OEUCNWWDWANNRG-AEFFLSMTSA-N 2 0 338.455 2.898 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397622 1315764081 /nfs/dbraw/zinc/76/40/81/1315764081.db2.gz QREVSFJCKYBZAX-MOPGFXCFSA-N 2 0 345.531 2.728 20 30 EFEDRP C=CCOCc1nn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2c1C[NH2+]C2 ZINC001255111492 1315776747 /nfs/dbraw/zinc/77/67/47/1315776747.db2.gz FDJDYDNDMQJEEV-KRWDZBQOSA-N 2 0 338.455 2.636 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661030 1315791409 /nfs/dbraw/zinc/79/14/09/1315791409.db2.gz MYZJNOZLRVPEPG-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452133 1315800307 /nfs/dbraw/zinc/80/03/07/1315800307.db2.gz IFALYFIOADOVSF-MOPGFXCFSA-N 2 0 327.472 2.613 20 30 EFEDRP CCOC(=O)[C@@H]1CCC[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)C1 ZINC001255356679 1315809079 /nfs/dbraw/zinc/80/90/79/1315809079.db2.gz KLJREKRNTYXWBM-MSOLQXFVSA-N 2 0 331.460 2.775 20 30 EFEDRP C=CCN1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1=O ZINC001255389308 1315815263 /nfs/dbraw/zinc/81/52/63/1315815263.db2.gz FLRRDRBJKJJZPR-VQTJNVASSA-N 2 0 341.499 2.808 20 30 EFEDRP C[NH+]1CCC(C#N)(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255393445 1315815603 /nfs/dbraw/zinc/81/56/03/1315815603.db2.gz QMTMXTSNCCTZNE-LJQANCHMSA-N 2 0 326.488 2.619 20 30 EFEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255594284 1315845662 /nfs/dbraw/zinc/84/56/62/1315845662.db2.gz PPGXYALDTQCWCE-QGZVFWFLSA-N 2 0 346.475 2.663 20 30 EFEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255594280 1315846013 /nfs/dbraw/zinc/84/60/13/1315846013.db2.gz PPGXYALDTQCWCE-KRWDZBQOSA-N 2 0 346.475 2.663 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(OCC)CC2)CC1 ZINC001256446478 1315941697 /nfs/dbraw/zinc/94/16/97/1315941697.db2.gz DSNFNHMNHQHINN-UHFFFAOYSA-N 2 0 335.536 2.626 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001256621735 1315970276 /nfs/dbraw/zinc/97/02/76/1315970276.db2.gz BDMZKVOBGSISLG-NHJHPMQKSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622964 1315970998 /nfs/dbraw/zinc/97/09/98/1315970998.db2.gz MLYALJTXBLKTDA-LMWLFIIJSA-N 2 0 334.504 2.685 20 30 EFEDRP N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256684031 1315981342 /nfs/dbraw/zinc/98/13/42/1315981342.db2.gz MFOUISQAGVDVAU-LBXVMSDZSA-N 2 0 325.456 2.779 20 30 EFEDRP N#Cc1ccccc1OCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853209 1315999485 /nfs/dbraw/zinc/99/94/85/1315999485.db2.gz YTCNYIQXSPEYKR-UHFFFAOYSA-N 2 0 336.439 2.981 20 30 EFEDRP C=CCOCc1nn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2c1C[NH2+]C2 ZINC001256916388 1316010047 /nfs/dbraw/zinc/01/00/47/1316010047.db2.gz QBEGEHCJOCCTCH-INIZCTEOSA-N 2 0 330.476 2.768 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258008624 1316109773 /nfs/dbraw/zinc/10/97/73/1316109773.db2.gz AJWHGXRIFCOHAE-UHFFFAOYSA-N 2 0 337.508 2.731 20 30 EFEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014116 1316110015 /nfs/dbraw/zinc/11/00/15/1316110015.db2.gz CJOXUBICOOJFDK-PMACEKPBSA-N 2 0 336.520 2.933 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199974 1316139317 /nfs/dbraw/zinc/13/93/17/1316139317.db2.gz DIOYOXXKMMVXDL-AZUAARDMSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040211719 1316146003 /nfs/dbraw/zinc/14/60/03/1316146003.db2.gz YQXUTKJMUWFPBK-NLWGTHIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211183 1316146308 /nfs/dbraw/zinc/14/63/08/1316146308.db2.gz XSHWWPJAQHYBAC-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040233366 1316156924 /nfs/dbraw/zinc/15/69/24/1316156924.db2.gz ZCBHCMZWRWWAIX-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258728922 1316173887 /nfs/dbraw/zinc/17/38/87/1316173887.db2.gz RRAWZIJMMAZCJX-QXAKKESOSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258772797 1316176460 /nfs/dbraw/zinc/17/64/60/1316176460.db2.gz YMMYRQZRRDUWHX-FQEVSTJZSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276554 1316179598 /nfs/dbraw/zinc/17/95/98/1316179598.db2.gz NKYAYODVPOJDBO-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276559 1316179694 /nfs/dbraw/zinc/17/96/94/1316179694.db2.gz NKYAYODVPOJDBO-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312256 1316196690 /nfs/dbraw/zinc/19/66/90/1316196690.db2.gz AQZXAKNIMGDERT-FPOVZHCZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313789 1316197680 /nfs/dbraw/zinc/19/76/80/1316197680.db2.gz MWVNWPUFDXAOBV-TZIWHRDSSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040313783 1316197900 /nfs/dbraw/zinc/19/79/00/1316197900.db2.gz MWVNWPUFDXAOBV-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040348882 1316214859 /nfs/dbraw/zinc/21/48/59/1316214859.db2.gz TURXELGRHANBIT-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040378730 1316229970 /nfs/dbraw/zinc/22/99/70/1316229970.db2.gz GKQQMADULMFBGG-UYAOXDASSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430897 1316261111 /nfs/dbraw/zinc/26/11/11/1316261111.db2.gz DKRXIQJLFZTSNN-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432168 1316262184 /nfs/dbraw/zinc/26/21/84/1316262184.db2.gz MKTQCGJFXSFIMR-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040432995 1316262742 /nfs/dbraw/zinc/26/27/42/1316262742.db2.gz QVKICAIDKCMJTM-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433565 1316263159 /nfs/dbraw/zinc/26/31/59/1316263159.db2.gz XJGWXDFMKMZJPX-CTNGQTDRSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433569 1316263336 /nfs/dbraw/zinc/26/33/36/1316263336.db2.gz XJGWXDFMKMZJPX-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040476889 1316284791 /nfs/dbraw/zinc/28/47/91/1316284791.db2.gz AKAUEFUSKUDHRO-NRFANRHFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480606 1316286941 /nfs/dbraw/zinc/28/69/41/1316286941.db2.gz UWWQUHVMSCEMLC-FQEVSTJZSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542693 1316315347 /nfs/dbraw/zinc/31/53/47/1316315347.db2.gz COAHWQIAEUYDFP-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001040545575 1316316818 /nfs/dbraw/zinc/31/68/18/1316316818.db2.gz RDGMYIXXXODVHA-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040699543 1316354296 /nfs/dbraw/zinc/35/42/96/1316354296.db2.gz ATKFUHAUYHAXHO-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001040721674 1316359710 /nfs/dbraw/zinc/35/97/10/1316359710.db2.gz XRDOCGDQLXESLP-UHFFFAOYSA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746148 1316365446 /nfs/dbraw/zinc/36/54/46/1316365446.db2.gz WJTVNJLBHSEPKJ-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001040755123 1316368081 /nfs/dbraw/zinc/36/80/81/1316368081.db2.gz PXEXXUGWBDEUBN-UHFFFAOYSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040756862 1316368351 /nfs/dbraw/zinc/36/83/51/1316368351.db2.gz JOCFCRJABHBTFC-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001040760357 1316368868 /nfs/dbraw/zinc/36/88/68/1316368868.db2.gz HLNNPHQKJJPJGE-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001040790656 1316375912 /nfs/dbraw/zinc/37/59/12/1316375912.db2.gz ZSJXAQDFNSWRDQ-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001040876076 1316395388 /nfs/dbraw/zinc/39/53/88/1316395388.db2.gz ALIWIIAUYOBQPT-KRWDZBQOSA-N 2 0 344.503 2.869 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882179 1316396703 /nfs/dbraw/zinc/39/67/03/1316396703.db2.gz ACSPWTZEVTULEW-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001040914535 1316403801 /nfs/dbraw/zinc/40/38/01/1316403801.db2.gz OOSVCKCNLGYZQL-UHFFFAOYSA-N 2 0 342.487 2.652 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040915050 1316403942 /nfs/dbraw/zinc/40/39/42/1316403942.db2.gz UXQDRSMUQNNTHB-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947686 1316409478 /nfs/dbraw/zinc/40/94/78/1316409478.db2.gz AOVLABHBJGQKBD-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040947685 1316409530 /nfs/dbraw/zinc/40/95/30/1316409530.db2.gz AOVLABHBJGQKBD-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339572 1316520290 /nfs/dbraw/zinc/52/02/90/1316520290.db2.gz PTEWJHLHTRZCME-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587838 1316609492 /nfs/dbraw/zinc/60/94/92/1316609492.db2.gz SOAWDIKJFXRUPJ-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587836 1316609588 /nfs/dbraw/zinc/60/95/88/1316609588.db2.gz SOAWDIKJFXRUPJ-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724340 1316666727 /nfs/dbraw/zinc/66/67/27/1316666727.db2.gz VJNLGOWJYBGRLI-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725138 1316667894 /nfs/dbraw/zinc/66/78/94/1316667894.db2.gz KSWIGRHCUAWLSE-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742349 1316676363 /nfs/dbraw/zinc/67/63/63/1316676363.db2.gz AZQCMLAVSBBRDL-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757216 1316683532 /nfs/dbraw/zinc/68/35/32/1316683532.db2.gz QYTWUTDLDSNSHV-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846063 1316731961 /nfs/dbraw/zinc/73/19/61/1316731961.db2.gz WJVOEVGTXBPNKN-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121256 1316893043 /nfs/dbraw/zinc/89/30/43/1316893043.db2.gz GAEPSTKJTJTUAN-LPHOPBHVSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121051 1316893445 /nfs/dbraw/zinc/89/34/45/1316893445.db2.gz DFSBGTUGQYWZIU-LPHOPBHVSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042158234 1316918926 /nfs/dbraw/zinc/91/89/26/1316918926.db2.gz VYBODAXVPLIIKE-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042259797 1317048941 /nfs/dbraw/zinc/04/89/41/1317048941.db2.gz SBHFWYGIFVYFDK-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270563 1317067719 /nfs/dbraw/zinc/06/77/19/1317067719.db2.gz PZJRTFJRERBFJR-AZUAARDMSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288700 1317096791 /nfs/dbraw/zinc/09/67/91/1317096791.db2.gz UVBUVSOZWHPIJE-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297922 1317111905 /nfs/dbraw/zinc/11/19/05/1317111905.db2.gz XXFSSVYUDPYEPI-ICSRJNTNSA-N 2 0 347.547 2.996 20 30 EFEDRP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001266182244 1317129056 /nfs/dbraw/zinc/12/90/56/1317129056.db2.gz DINFPOAIPYJPJL-QAPCUYQASA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042365843 1317217961 /nfs/dbraw/zinc/21/79/61/1317217961.db2.gz RCQXROJKQDCPAQ-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042372931 1317230138 /nfs/dbraw/zinc/23/01/38/1317230138.db2.gz BJASZWCPFRXSQR-SJLPKXTDSA-N 2 0 345.487 2.844 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001042372930 1317231572 /nfs/dbraw/zinc/23/15/72/1317231572.db2.gz BJASZWCPFRXSQR-FUHWJXTLSA-N 2 0 345.487 2.844 20 30 EFEDRP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281299688 1318156517 /nfs/dbraw/zinc/15/65/17/1318156517.db2.gz PRVFLDCBXNWJJU-LJQANCHMSA-N 2 0 329.488 2.781 20 30 EFEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1CC ZINC001325365638 1329683105 /nfs/dbraw/zinc/68/31/05/1329683105.db2.gz JEWCVZRRRAWDOZ-WOJBJXKFSA-N 2 0 343.515 2.605 20 30 EFEDRP CC(C)[NH+]1CCC(CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001332239346 1330945907 /nfs/dbraw/zinc/94/59/07/1330945907.db2.gz TYBFLAZGXNMUFF-UHFFFAOYSA-N 2 0 342.487 2.987 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089913 1332138163 /nfs/dbraw/zinc/13/81/63/1332138163.db2.gz HFKVJLQLDAMCBM-OALUTQOASA-N 2 0 329.488 2.651 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001340093067 1332138563 /nfs/dbraw/zinc/13/85/63/1332138563.db2.gz HUUVMJPLNMMNNS-KRWDZBQOSA-N 2 0 328.460 2.825 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001341072295 1332231520 /nfs/dbraw/zinc/23/15/20/1332231520.db2.gz OIMROIRRZCRGBW-MOPGFXCFSA-N 2 0 345.487 2.632 20 30 EFEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001345606884 1332552832 /nfs/dbraw/zinc/55/28/32/1332552832.db2.gz RSNGSHZZJKFNDD-KRWDZBQOSA-N 2 0 342.487 2.989 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001407552477 1368976259 /nfs/dbraw/zinc/97/62/59/1368976259.db2.gz UCPFFCXVPAXPOG-LSDHHAIUSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001002004107 1333903211 /nfs/dbraw/zinc/90/32/11/1333903211.db2.gz MDRAMWABSLLSEA-UHFFFAOYSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001002028650 1333954166 /nfs/dbraw/zinc/95/41/66/1333954166.db2.gz DHTUWHLWZVNSGS-UHFFFAOYSA-N 2 0 333.520 2.513 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200795687 1334543044 /nfs/dbraw/zinc/54/30/44/1334543044.db2.gz NDOPRWBAWIIGRS-ZWKOTPCHSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001357374256 1335305708 /nfs/dbraw/zinc/30/57/08/1335305708.db2.gz AHHQMQHUHGYGSL-HNNXBMFYSA-N 2 0 339.867 2.903 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001357458659 1335308259 /nfs/dbraw/zinc/30/82/59/1335308259.db2.gz ZDSNVCSKUDQHFW-AABGKKOBSA-N 2 0 343.515 2.869 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366234593 1337468160 /nfs/dbraw/zinc/46/81/60/1337468160.db2.gz XDAOOTLPEPIBDR-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001367202660 1338509693 /nfs/dbraw/zinc/50/96/93/1338509693.db2.gz YYROVRZDXFBPOT-SFHVURJKSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001367433325 1338734693 /nfs/dbraw/zinc/73/46/93/1338734693.db2.gz IXNGUGJDYCBPFL-MRXNPFEDSA-N 2 0 329.916 2.640 20 30 EFEDRP C=C(Cl)C[NH+](CC)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001368774571 1339691641 /nfs/dbraw/zinc/69/16/41/1339691641.db2.gz FEFGIEIHEZFNDS-UHFFFAOYSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001375580780 1342899914 /nfs/dbraw/zinc/89/99/14/1342899914.db2.gz ZIRZKCQNGWJFOP-QGZVFWFLSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001375934878 1343183172 /nfs/dbraw/zinc/18/31/72/1343183172.db2.gz OXKVYXRDBYKYHY-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001379696920 1347266401 /nfs/dbraw/zinc/26/64/01/1347266401.db2.gz RDXJVYSIDPXZSE-WBVHZDCISA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001380326031 1347595518 /nfs/dbraw/zinc/59/55/18/1347595518.db2.gz DBLVRMAWCWVVCB-QGZVFWFLSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001380672846 1347804103 /nfs/dbraw/zinc/80/41/03/1347804103.db2.gz FCWJBKUCPQUTFQ-QAPCUYQASA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001381727624 1348481926 /nfs/dbraw/zinc/48/19/26/1348481926.db2.gz SZAAHARKMDAUCU-QGZVFWFLSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001381727621 1348481987 /nfs/dbraw/zinc/48/19/87/1348481987.db2.gz SZAAHARKMDAUCU-KRWDZBQOSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001394674144 1357991401 /nfs/dbraw/zinc/99/14/01/1357991401.db2.gz VJYTXIJFOBUEFC-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001390616203 1354211845 /nfs/dbraw/zinc/21/18/45/1354211845.db2.gz QAKNJFAFYRCXSX-GJZGRUSLSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001391363082 1355128608 /nfs/dbraw/zinc/12/86/08/1355128608.db2.gz OJKJPILILVRJHQ-INIZCTEOSA-N 2 0 347.906 2.589 20 30 EFEDRP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001391366535 1355134197 /nfs/dbraw/zinc/13/41/97/1355134197.db2.gz VWTAVBLRAFBHKE-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001392736117 1356294714 /nfs/dbraw/zinc/29/47/14/1356294714.db2.gz LUFNZENVUHDFRR-IRXDYDNUSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001394674135 1357991085 /nfs/dbraw/zinc/99/10/85/1357991085.db2.gz VJYTXIJFOBUEFC-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001394704989 1358030845 /nfs/dbraw/zinc/03/08/45/1358030845.db2.gz YQOSJOCRWYRTOO-DLBZAZTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001397136361 1359698240 /nfs/dbraw/zinc/69/82/40/1359698240.db2.gz NCOVXHZABYTUGA-KBAYOESNSA-N 2 0 349.906 2.916 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001401097316 1362438758 /nfs/dbraw/zinc/43/87/58/1362438758.db2.gz KYJOZJQJYCMKHT-MRXNPFEDSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401295833 1362642195 /nfs/dbraw/zinc/64/21/95/1362642195.db2.gz ZFWATCZYRUUKRW-IRXDYDNUSA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001401303351 1362648721 /nfs/dbraw/zinc/64/87/21/1362648721.db2.gz BTGPMCXRLJQVIU-OAHLLOKOSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001401962916 1363280500 /nfs/dbraw/zinc/28/05/00/1363280500.db2.gz PEFNKLJSRFJZNC-INIZCTEOSA-N 2 0 339.911 2.774 20 30 EFEDRP C=C(Cl)CN1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001402120527 1363425793 /nfs/dbraw/zinc/42/57/93/1363425793.db2.gz AVRIIKHHTLRGAH-QGZVFWFLSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001402496082 1363739054 /nfs/dbraw/zinc/73/90/54/1363739054.db2.gz OSQHYBOAXIMOLL-QEJZJMRPSA-N 2 0 338.883 2.605 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001403589339 1364791956 /nfs/dbraw/zinc/79/19/56/1364791956.db2.gz VRRVYMPSZNXAOJ-HNNXBMFYSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001405712534 1366355503 /nfs/dbraw/zinc/35/55/03/1366355503.db2.gz COBHBGAVHGDDCK-GDBMZVCRSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001405846487 1366458956 /nfs/dbraw/zinc/45/89/56/1366458956.db2.gz JNRPUJFVAACBFT-OAHLLOKOSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001406041173 1367132029 /nfs/dbraw/zinc/13/20/29/1367132029.db2.gz IYGBUHUHAVKARP-KRWDZBQOSA-N 2 0 337.895 2.845 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC ZINC001406799867 1368071460 /nfs/dbraw/zinc/07/14/60/1368071460.db2.gz ATXMMPZRPASOJN-SJORKVTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001407011510 1368320746 /nfs/dbraw/zinc/32/07/46/1368320746.db2.gz QVQSUTBTPMLRKC-MQVJKMGUSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174340 1368541966 /nfs/dbraw/zinc/54/19/66/1368541966.db2.gz QWPAHXHMWJNMDN-HOTGVXAUSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001407243705 1368639866 /nfs/dbraw/zinc/63/98/66/1368639866.db2.gz WNWPMEZKMFBHNV-GOSISDBHSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001418746786 1374451572 /nfs/dbraw/zinc/45/15/72/1374451572.db2.gz OPYIFAIHOZXXBA-INIZCTEOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001418844242 1374567004 /nfs/dbraw/zinc/56/70/04/1374567004.db2.gz PPTJEAYOTGJVBE-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001438336763 1388516776 /nfs/dbraw/zinc/51/67/76/1388516776.db2.gz PNRACUDIXGZLKH-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001421580110 1378841721 /nfs/dbraw/zinc/84/17/21/1378841721.db2.gz RTFJMENJEUXMPH-RHSMWYFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001421732898 1379051782 /nfs/dbraw/zinc/05/17/82/1379051782.db2.gz SVYVBITZUKBUNY-YOEHRIQHSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001421732891 1379051808 /nfs/dbraw/zinc/05/18/08/1379051808.db2.gz SVYVBITZUKBUNY-RHSMWYFYSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001438608319 1388695051 /nfs/dbraw/zinc/69/50/51/1388695051.db2.gz DOOSNWUJNWNXEA-UHFFFAOYSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001438677362 1388733517 /nfs/dbraw/zinc/73/35/17/1388733517.db2.gz CFVOHCVTYVKMEE-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001423409071 1381918727 /nfs/dbraw/zinc/91/87/27/1381918727.db2.gz LCINGTQAZLGUGH-CABCVRRESA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001423644084 1382214563 /nfs/dbraw/zinc/21/45/63/1382214563.db2.gz AQJQCJZTSDXXMG-LJQANCHMSA-N 2 0 349.906 2.943 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001425875608 1383820489 /nfs/dbraw/zinc/82/04/89/1383820489.db2.gz JPLQOPIMEMUWRB-DOTOQJQBSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001440890451 1389982083 /nfs/dbraw/zinc/98/20/83/1389982083.db2.gz VGBRXIRERSBXJE-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001447741540 1391748554 /nfs/dbraw/zinc/74/85/54/1391748554.db2.gz UXEUQBOCBYKSII-UHFFFAOYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001507324004 1406888422 /nfs/dbraw/zinc/88/84/22/1406888422.db2.gz YGROCSRJXJAGJA-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001493846394 1398919073 /nfs/dbraw/zinc/91/90/73/1398919073.db2.gz FTUBQPBCYSIFBW-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494754773 1399456618 /nfs/dbraw/zinc/45/66/18/1399456618.db2.gz UCYGBEKHVWOLOB-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001496505124 1400780990 /nfs/dbraw/zinc/78/09/90/1400780990.db2.gz UHHBFJCWFYBKEZ-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001496624266 1400877840 /nfs/dbraw/zinc/87/78/40/1400877840.db2.gz WAFHGYBDNQJVNR-MRXNPFEDSA-N 2 0 329.916 2.590 20 30 EFEDRP N#Cc1cccc([C@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001560098462 1415263829 /nfs/dbraw/zinc/26/38/29/1415263829.db2.gz ISDSXNGMKTXNGG-VQTJNVASSA-N 2 0 332.407 2.819 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001568252321 1416456264 /nfs/dbraw/zinc/45/62/64/1416456264.db2.gz HMIVTQPXAIYFQW-SFHVURJKSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001690246265 1417178579 /nfs/dbraw/zinc/17/85/79/1417178579.db2.gz ALWQXFXYTAXQTL-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001690246266 1417178590 /nfs/dbraw/zinc/17/85/90/1417178590.db2.gz ALWQXFXYTAXQTL-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153931 712940582 /nfs/dbraw/zinc/94/05/82/712940582.db2.gz SRWOHOMQEJEKBE-HXUWFJFHSA-N 2 0 341.499 2.746 20 30 EFEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683427 713217671 /nfs/dbraw/zinc/21/76/71/713217671.db2.gz ZYXYXTMRTGKDFN-IRXDYDNUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000969691905 713220329 /nfs/dbraw/zinc/22/03/29/713220329.db2.gz AVMLNLRLLNEQFO-WBVHZDCISA-N 2 0 339.911 2.727 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039134329 713469965 /nfs/dbraw/zinc/46/99/65/713469965.db2.gz PFAFNGQJRFACAN-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326244 713636431 /nfs/dbraw/zinc/63/64/31/713636431.db2.gz OLYLJAVHTDFIAT-VQIMIIECSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970955491 714179442 /nfs/dbraw/zinc/17/94/42/714179442.db2.gz WIHXRPFOUOBEHI-HNNXBMFYSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021669952 714271392 /nfs/dbraw/zinc/27/13/92/714271392.db2.gz IYUICCCBCOPWKE-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701248 714334479 /nfs/dbraw/zinc/33/44/79/714334479.db2.gz WORGIUBUYVCJPV-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C[NH+](C)C)C[C@@H]2C1 ZINC000980251082 717980614 /nfs/dbraw/zinc/98/06/14/717980614.db2.gz FULBZSSOCAXMCA-UHOSZYNNSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005406 715238509 /nfs/dbraw/zinc/23/85/09/715238509.db2.gz LOFFTGCZDVUVBN-SFHVURJKSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974947241 715369583 /nfs/dbraw/zinc/36/95/83/715369583.db2.gz NXWUDZYNEBJIQT-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C(C)(C)C1 ZINC000975044045 715447563 /nfs/dbraw/zinc/44/75/63/715447563.db2.gz WYBWZBQMJXDZLP-AEFFLSMTSA-N 2 0 344.503 2.547 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C(F)(F)F)cc1 ZINC000303712242 724417506 /nfs/dbraw/zinc/41/75/06/724417506.db2.gz PVEBGLDNSUJEFG-HNNXBMFYSA-N 2 0 342.409 2.637 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027446558 715832728 /nfs/dbraw/zinc/83/27/28/715832728.db2.gz NNEYLCHVKVYVSO-UXHICEINSA-N 2 0 343.515 2.507 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC2CC[NH+](C)CC2)c1 ZINC000303906423 724433855 /nfs/dbraw/zinc/43/38/55/724433855.db2.gz ZYKZSFHYVVFBQV-UHFFFAOYSA-N 2 0 348.491 2.943 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038707765 716133847 /nfs/dbraw/zinc/13/38/47/716133847.db2.gz YBYYDQZDVGFXOM-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001023128817 716165245 /nfs/dbraw/zinc/16/52/45/716165245.db2.gz UHCURHNJNKJUSD-BGYRXZFFSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647246 716305616 /nfs/dbraw/zinc/30/56/16/716305616.db2.gz MCMPEDCYOHBZAB-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978644040 716325853 /nfs/dbraw/zinc/32/58/53/716325853.db2.gz ZCVYHQRYLIWNAK-HAGHYFMRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369894 716388835 /nfs/dbraw/zinc/38/88/35/716388835.db2.gz ICTJOIXYDNZUIE-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977621844 716422243 /nfs/dbraw/zinc/42/22/43/716422243.db2.gz JLYDMRLQSYTGRP-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409979 716430691 /nfs/dbraw/zinc/43/06/91/716430691.db2.gz KHKRIQYFQCIYSE-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)CN1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453690 716487957 /nfs/dbraw/zinc/48/79/57/716487957.db2.gz FUCJJWIDLPOHQD-OAHLLOKOSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694493 716549025 /nfs/dbraw/zinc/54/90/25/716549025.db2.gz AHSNATFUJLIUMC-DLBZAZTESA-N 2 0 341.927 2.782 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023508058 716558074 /nfs/dbraw/zinc/55/80/74/716558074.db2.gz HEZGPCIEUOZFNP-SFHVURJKSA-N 2 0 343.515 2.809 20 30 EFEDRP C[NH+](C)CC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1 ZINC000262370978 716613875 /nfs/dbraw/zinc/61/38/75/716613875.db2.gz LOMJZBYSRHVTLO-UHFFFAOYSA-N 2 0 346.475 2.697 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552247 716615235 /nfs/dbraw/zinc/61/52/35/716615235.db2.gz BQHVYGLDNMCKTC-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552723 716616175 /nfs/dbraw/zinc/61/61/75/716616175.db2.gz MBILSASEZJRMKZ-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694783 716832787 /nfs/dbraw/zinc/83/27/87/716832787.db2.gz KYGKZAHOTMQRAY-LJQANCHMSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978280853 716943894 /nfs/dbraw/zinc/94/38/94/716943894.db2.gz ZNMGXZGKPZVGHN-YSTOQKLRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC000980490811 717343467 /nfs/dbraw/zinc/34/34/67/717343467.db2.gz MOKZYEUDJVDYJY-IRXDYDNUSA-N 2 0 335.879 2.575 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980143878 717790797 /nfs/dbraw/zinc/79/07/97/717790797.db2.gz OBXNIPMBEVKFMM-CGTJXYLNSA-N 2 0 338.455 2.741 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980166094 717830265 /nfs/dbraw/zinc/83/02/65/717830265.db2.gz DVHNZUOASPZKFB-BZSNNMDCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980166819 717831137 /nfs/dbraw/zinc/83/11/37/717831137.db2.gz JLZIEHNWEAXFCV-IPMKNSEASA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980181194 717848511 /nfs/dbraw/zinc/84/85/11/717848511.db2.gz XLULYOYIJDHXSN-FHWLQOOXSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521416 717867368 /nfs/dbraw/zinc/86/73/68/717867368.db2.gz SGFJDPKAVYTIOL-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187567 717875870 /nfs/dbraw/zinc/87/58/70/717875870.db2.gz OZFQYDILOMGCOQ-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024645432 718057691 /nfs/dbraw/zinc/05/76/91/718057691.db2.gz ADLMOQVBPYZYCT-HOTGVXAUSA-N 2 0 330.476 2.767 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711934 718101556 /nfs/dbraw/zinc/10/15/56/718101556.db2.gz NFKRAENZLKMGHI-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712346 718105882 /nfs/dbraw/zinc/10/58/82/718105882.db2.gz VGHPKZLJRXIYOS-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751850 718135099 /nfs/dbraw/zinc/13/50/99/718135099.db2.gz LLWLARNTRASQPT-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750023 718135723 /nfs/dbraw/zinc/13/57/23/718135723.db2.gz JYZZTHQDGFUHTH-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000981165463 718169896 /nfs/dbraw/zinc/16/98/96/718169896.db2.gz DAUIZXRUEIDQLE-HOTGVXAUSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981181453 718171853 /nfs/dbraw/zinc/17/18/53/718171853.db2.gz LCHAKOUXAVISQS-CVEARBPZSA-N 2 0 326.444 2.849 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018069219 718402320 /nfs/dbraw/zinc/40/23/20/718402320.db2.gz CRRFMMUJXXXMSH-KDURUIRLSA-N 2 0 327.472 2.613 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246771 718466860 /nfs/dbraw/zinc/46/68/60/718466860.db2.gz HCLVTXVBRWZOKY-MSOLQXFVSA-N 2 0 331.504 2.646 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259649 718476099 /nfs/dbraw/zinc/47/60/99/718476099.db2.gz SKYCNEACMLWMMI-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259650 718476205 /nfs/dbraw/zinc/47/62/05/718476205.db2.gz SKYCNEACMLWMMI-QZTJIDSGSA-N 2 0 333.520 2.892 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275655 718514124 /nfs/dbraw/zinc/51/41/24/718514124.db2.gz YDEBDUPAKXHRIX-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279945 718518270 /nfs/dbraw/zinc/51/82/70/718518270.db2.gz JHCCDPPCLLZMLO-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001025294254 718536712 /nfs/dbraw/zinc/53/67/12/718536712.db2.gz YGXKPCCUTDIJSP-MSOLQXFVSA-N 2 0 330.476 2.682 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001025301860 718540770 /nfs/dbraw/zinc/54/07/70/718540770.db2.gz QHECIZMFLACXOX-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301651 718547374 /nfs/dbraw/zinc/54/73/74/718547374.db2.gz NSGKFBDLMXPJMZ-WOJBJXKFSA-N 2 0 345.531 2.731 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000981447238 718727060 /nfs/dbraw/zinc/72/70/60/718727060.db2.gz JERUDTMTPYERLU-MOPGFXCFSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000981546696 718814773 /nfs/dbraw/zinc/81/47/73/718814773.db2.gz WDORINYVBTZCRF-JKSUJKDBSA-N 2 0 333.476 2.938 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025454291 718897493 /nfs/dbraw/zinc/89/74/93/718897493.db2.gz WZNNVPQUGOHUQP-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486747 719002086 /nfs/dbraw/zinc/00/20/86/719002086.db2.gz WJTXJRAMTCRVMH-HZPDHXFCSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029921202 724554530 /nfs/dbraw/zinc/55/45/30/724554530.db2.gz SIEALBJNMRUTBD-VQTJNVASSA-N 2 0 341.499 2.617 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981811918 719071578 /nfs/dbraw/zinc/07/15/78/719071578.db2.gz BNEYWZCGNJXYIL-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981843224 719121439 /nfs/dbraw/zinc/12/14/39/719121439.db2.gz XBFUEZFIOHEHGN-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000985536115 724567270 /nfs/dbraw/zinc/56/72/70/724567270.db2.gz BJXZJZXYIUOSDR-UHFFFAOYSA-N 2 0 332.835 2.623 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981864713 719142735 /nfs/dbraw/zinc/14/27/35/719142735.db2.gz HDSPKMFFEBOSCN-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583855 719165500 /nfs/dbraw/zinc/16/55/00/719165500.db2.gz CBGCYURIUPMXOX-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025630999 719258931 /nfs/dbraw/zinc/25/89/31/719258931.db2.gz YCRLWTGKXMZMBU-DLBZAZTESA-N 2 0 345.487 2.585 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631340 719259212 /nfs/dbraw/zinc/25/92/12/719259212.db2.gz ZRYQZMIEAXOLBW-ICSRJNTNSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052543 719507380 /nfs/dbraw/zinc/50/73/80/719507380.db2.gz OYODVOZJFBJZNB-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062736 719516790 /nfs/dbraw/zinc/51/67/90/719516790.db2.gz CZZHUOYCHKZQER-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107975 719565894 /nfs/dbraw/zinc/56/58/94/719565894.db2.gz YLLZGKUBNCASGY-UHFFFAOYSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110459 719568413 /nfs/dbraw/zinc/56/84/13/719568413.db2.gz QFWSMKPXBRNKNA-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982115794 719573021 /nfs/dbraw/zinc/57/30/21/719573021.db2.gz BMFRWFROVBQINI-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116257 719573821 /nfs/dbraw/zinc/57/38/21/719573821.db2.gz IMMLDRXQPWVNCC-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163642 719608617 /nfs/dbraw/zinc/60/86/17/719608617.db2.gz LPDBBHZYEUXQOS-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279608 719787851 /nfs/dbraw/zinc/78/78/51/719787851.db2.gz AYUNSYHUEVTZAW-JYAXBFRTSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292655 719822088 /nfs/dbraw/zinc/82/20/88/719822088.db2.gz SKKSRCMDVQYVIC-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295389 719836298 /nfs/dbraw/zinc/83/62/98/719836298.db2.gz SFIYFQNGFYIMSM-NRSPTQNISA-N 2 0 347.547 2.711 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982300094 719849353 /nfs/dbraw/zinc/84/93/53/719849353.db2.gz SEAHEZNZOCEQGU-RLLQIKCJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@@]2(C)C1 ZINC000982306478 719875295 /nfs/dbraw/zinc/87/52/95/719875295.db2.gz RYYMAVJFJPIIGN-IZZBFERCSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333030 719921291 /nfs/dbraw/zinc/92/12/91/719921291.db2.gz QISHDUMYTVRNBE-SESVDKBCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001026378452 720434748 /nfs/dbraw/zinc/43/47/48/720434748.db2.gz XMUXRBCTGGUVHH-XUVXKRRUSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]12 ZINC001026378448 720434767 /nfs/dbraw/zinc/43/47/67/720434767.db2.gz XMUXRBCTGGUVHH-HSALFYBXSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001026533958 720720589 /nfs/dbraw/zinc/72/05/89/720720589.db2.gz NQNAHMHVGMOBGH-UHFFFAOYSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001026540187 720724014 /nfs/dbraw/zinc/72/40/14/720724014.db2.gz DCEBHDAHLTTXHK-UHFFFAOYSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001026559128 720751186 /nfs/dbraw/zinc/75/11/86/720751186.db2.gz BIFQKJCVQGVTAJ-RJYAGPCLSA-N 2 0 339.499 2.792 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623961 720959921 /nfs/dbraw/zinc/95/99/21/720959921.db2.gz NDVOPYOVJGKGCR-SESVDKBCSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594166 721231983 /nfs/dbraw/zinc/23/19/83/721231983.db2.gz DBKAJWUWZBTQRK-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650320 721239980 /nfs/dbraw/zinc/23/99/80/721239980.db2.gz IPXOMKIQRZMMIR-ZWKOTPCHSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677657 721270511 /nfs/dbraw/zinc/27/05/11/721270511.db2.gz FTWUFXFRTGOPQD-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831222 721303379 /nfs/dbraw/zinc/30/33/79/721303379.db2.gz JIRAOYGRQQKOOE-QGZVKYPTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974742442 721392096 /nfs/dbraw/zinc/39/20/96/721392096.db2.gz PNNWTIMMWIWCQF-KRWDZBQOSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)CN1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974827072 721462680 /nfs/dbraw/zinc/46/26/80/721462680.db2.gz JQHNWNDWKOTQHP-HNNXBMFYSA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870940 722063275 /nfs/dbraw/zinc/06/32/75/722063275.db2.gz YWLVQJMNCWYLBN-GOSISDBHSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921347 722097844 /nfs/dbraw/zinc/09/78/44/722097844.db2.gz QHWLKIWAGHMWCT-GOSISDBHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040821427 728771550 /nfs/dbraw/zinc/77/15/50/728771550.db2.gz GECNMHOSSXKPFJ-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000939148069 728772430 /nfs/dbraw/zinc/77/24/30/728772430.db2.gz RHEWQCANTLSVSO-RDTXWAMCSA-N 2 0 349.906 2.593 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801463 723338815 /nfs/dbraw/zinc/33/88/15/723338815.db2.gz NHQBRJYAXLPVIE-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136561 725554261 /nfs/dbraw/zinc/55/42/61/725554261.db2.gz KERDFAZABAZJLG-PNYFIKQUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4nc[nH]c43)CCC[C@@H]12 ZINC000992165385 725578599 /nfs/dbraw/zinc/57/85/99/725578599.db2.gz DXJFFKMVOYPONN-ZSZQSSIHSA-N 2 0 328.460 2.519 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169968 725585279 /nfs/dbraw/zinc/58/52/79/725585279.db2.gz HJKBYHCFPLFINA-PXNSSMCTSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992171906 725587300 /nfs/dbraw/zinc/58/73/00/725587300.db2.gz ZCYXUBPROCQXJC-TZIWHRDSSA-N 2 0 341.499 2.704 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040723455 725694663 /nfs/dbraw/zinc/69/46/63/725694663.db2.gz JRNSKUYDVLMGOX-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992306976 725698209 /nfs/dbraw/zinc/69/82/09/725698209.db2.gz WFRILHNDYHZTQO-NLWGTHIKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992306982 725698331 /nfs/dbraw/zinc/69/83/31/725698331.db2.gz WFRILHNDYHZTQO-WSTZPKSXSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992366607 725749501 /nfs/dbraw/zinc/74/95/01/725749501.db2.gz GDNOBKCEFOOGHG-QUCCMNQESA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992366608 725749627 /nfs/dbraw/zinc/74/96/27/725749627.db2.gz GDNOBKCEFOOGHG-UYAOXDASSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]21 ZINC000992698976 726121212 /nfs/dbraw/zinc/12/12/12/726121212.db2.gz GSLCDDDGNQUZET-USXIJHARSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000992839167 726292091 /nfs/dbraw/zinc/29/20/91/726292091.db2.gz UNOZZVSPZOKXCM-GUDVDZBRSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC000992845009 726295491 /nfs/dbraw/zinc/29/54/91/726295491.db2.gz AXBCFTPONYYQSD-VAMGGRTRSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC000992844998 726295506 /nfs/dbraw/zinc/29/55/06/726295506.db2.gz AXBCFTPONYYQSD-HSALFYBXSA-N 2 0 345.531 2.511 20 30 EFEDRP CN(c1ccccc1C=[NH+]OC[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000788033730 726820461 /nfs/dbraw/zinc/82/04/61/726820461.db2.gz LRJHMSGBZSDZPO-MRXNPFEDSA-N 2 0 331.460 2.604 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707361 726896899 /nfs/dbraw/zinc/89/68/99/726896899.db2.gz SEWSBGYUTSXLAK-FQEVSTJZSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993498047 727283719 /nfs/dbraw/zinc/28/37/19/727283719.db2.gz DKUIFVYETCYPLZ-CRAIPNDOSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480555 727288655 /nfs/dbraw/zinc/28/86/55/727288655.db2.gz PNMYJCWKHZEQTB-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000950329805 727899696 /nfs/dbraw/zinc/89/96/96/727899696.db2.gz AGDXLUTTWFKWIM-QGZVFWFLSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942102490 728297683 /nfs/dbraw/zinc/29/76/83/728297683.db2.gz ZNVMWIKUAKEJEQ-GOEBONIOSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947952 728304788 /nfs/dbraw/zinc/30/47/88/728304788.db2.gz JORYXVIEXTZOEO-HDICACEKSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829073 728528503 /nfs/dbraw/zinc/52/85/03/728528503.db2.gz CQMSKVGSGGNQHK-RTBURBONSA-N 2 0 333.520 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829546 728529602 /nfs/dbraw/zinc/52/96/02/728529602.db2.gz PQKQPSSWDZLAPJ-MOPGFXCFSA-N 2 0 333.520 2.586 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040911581 729105963 /nfs/dbraw/zinc/10/59/63/729105963.db2.gz GABLJTKIWSWZLX-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001569910972 1085750448 /nfs/dbraw/zinc/75/04/48/1085750448.db2.gz YHXYVBNXHOYVNJ-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC001574757576 1088073010 /nfs/dbraw/zinc/07/30/10/1088073010.db2.gz URLGMCMQSDVMDV-VQIMIIECSA-N 2 0 327.472 2.836 20 30 EFEDRP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001574835733 1088114836 /nfs/dbraw/zinc/11/48/36/1088114836.db2.gz FLBGZMZBUCHIKO-RBUKOAKNSA-N 2 0 332.492 2.611 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001574902792 1088145352 /nfs/dbraw/zinc/14/53/52/1088145352.db2.gz GXUNIZWCIMHGMQ-OALUTQOASA-N 2 0 329.488 2.932 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCCC[C@H]([NH3+])C1)C(C)C ZINC001574927307 1088157125 /nfs/dbraw/zinc/15/71/25/1088157125.db2.gz JPXBSXLLIJBKTP-ROUUACIJSA-N 2 0 336.524 2.598 20 30 EFEDRP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001577526858 1090036058 /nfs/dbraw/zinc/03/60/58/1090036058.db2.gz HHNGJNVIUPWGCJ-SFTDATJTSA-N 2 0 337.467 2.701 20 30 EFEDRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001578741159 1090431191 /nfs/dbraw/zinc/43/11/91/1090431191.db2.gz GPOFMDUSDYQWMW-UHFFFAOYSA-N 2 0 345.450 2.968 20 30 EFEDRP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CCCCC#N ZINC001579738556 1090675762 /nfs/dbraw/zinc/67/57/62/1090675762.db2.gz QWSIJCFDKAPBGA-JENIJYKNSA-N 2 0 340.471 2.541 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001580071890 1090763064 /nfs/dbraw/zinc/76/30/64/1090763064.db2.gz FYEKMYHCJZYQDG-IBGZPJMESA-N 2 0 336.439 2.728 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448194 1092754081 /nfs/dbraw/zinc/75/40/81/1092754081.db2.gz QESYUXWPXBAYKM-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448074 1092755772 /nfs/dbraw/zinc/75/57/72/1092755772.db2.gz NCWKKLDOJILZKH-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449683 1092864400 /nfs/dbraw/zinc/86/44/00/1092864400.db2.gz PAVRAVLNSIVNLV-PKOBYXMFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454147 1093042097 /nfs/dbraw/zinc/04/20/97/1093042097.db2.gz MBULYVSYJFHCDO-XLIONFOSSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454148 1093042361 /nfs/dbraw/zinc/04/23/61/1093042361.db2.gz MBULYVSYJFHCDO-YLJYHZDGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449905 1093280678 /nfs/dbraw/zinc/28/06/78/1093280678.db2.gz MPZYWVCGZNALPW-MISYRCLQSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001104450743 1093289632 /nfs/dbraw/zinc/28/96/32/1093289632.db2.gz HTENPOGBDXJBIG-IEBWSBKVSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452374 1093291435 /nfs/dbraw/zinc/29/14/35/1093291435.db2.gz JMHNYTKJQRGJPS-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461323 1093315164 /nfs/dbraw/zinc/31/51/64/1093315164.db2.gz CRIPNYQTSGJLSC-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH]ccc-4n3)C(C)(C)[C@@H]21 ZINC001087293159 1095024137 /nfs/dbraw/zinc/02/41/37/1095024137.db2.gz ZGEFLMKLIKDHRE-ZTFGCOKTSA-N 2 0 338.455 2.968 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211695394 1095071854 /nfs/dbraw/zinc/07/18/54/1095071854.db2.gz ZTNRJAWLJFUMQN-ZWKOTPCHSA-N 2 0 349.906 2.665 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087302526 1095148332 /nfs/dbraw/zinc/14/83/32/1095148332.db2.gz VIEFXUQVUPWKLA-FGTMMUONSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2)C1=O ZINC001167825672 1095212509 /nfs/dbraw/zinc/21/25/09/1095212509.db2.gz SKUOXMRIHOTPNH-QUCCMNQESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309218 1095233692 /nfs/dbraw/zinc/23/36/92/1095233692.db2.gz CPQXCGSAULVGDF-MISYRCLQSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001087309220 1095234352 /nfs/dbraw/zinc/23/43/52/1095234352.db2.gz CPQXCGSAULVGDF-YZGWKJHDSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309886 1095239201 /nfs/dbraw/zinc/23/92/01/1095239201.db2.gz NIYJQQFHDDMZEJ-NEWSRXKRSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001100756964 1095257313 /nfs/dbraw/zinc/25/73/13/1095257313.db2.gz XLJSELAJQNVCQR-UHFFFAOYSA-N 2 0 329.488 2.812 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087315062 1095284119 /nfs/dbraw/zinc/28/41/19/1095284119.db2.gz VTZPSXQRXFFVGD-SQNIBIBYSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167833969 1095286413 /nfs/dbraw/zinc/28/64/13/1095286413.db2.gz GUJCKOUFKDNAQK-DLBZAZTESA-N 2 0 325.497 2.874 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914391 1095618190 /nfs/dbraw/zinc/61/81/90/1095618190.db2.gz JNXPDAGEGPJYON-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957183 1095778550 /nfs/dbraw/zinc/77/85/50/1095778550.db2.gz FUPCEHXGWNXTFA-IBGZPJMESA-N 2 0 339.499 2.699 20 30 EFEDRP N#Cc1c(Cl)nc(Cl)c(NC(=[NH2+])NCCCC[NH3+])c1Cl ZINC001167880336 1096143550 /nfs/dbraw/zinc/14/35/50/1096143550.db2.gz IGHANEVANGDXMY-UHFFFAOYSA-N 2 0 335.626 2.589 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709809 1096223632 /nfs/dbraw/zinc/22/36/32/1096223632.db2.gz ZDVLGYXGDJWILR-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211729603 1096608501 /nfs/dbraw/zinc/60/85/01/1096608501.db2.gz DWVIXYKUEZTPBF-VQTJNVASSA-N 2 0 341.499 2.633 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001481960144 1097009420 /nfs/dbraw/zinc/00/94/20/1097009420.db2.gz BKQIUYLGWCSQBM-PBHICJAKSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001482224126 1098183841 /nfs/dbraw/zinc/18/38/41/1098183841.db2.gz XFUAYBZZCANXPH-INIZCTEOSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001104832650 1098716796 /nfs/dbraw/zinc/71/67/96/1098716796.db2.gz MDKNESOESXVWOO-RTBURBONSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC001104916894 1099000111 /nfs/dbraw/zinc/00/01/11/1099000111.db2.gz JIMVLVAVTOKJJW-IAGOWNOFSA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742510 1099481144 /nfs/dbraw/zinc/48/11/44/1099481144.db2.gz MSPWVOLONLYSAC-JKSUJKDBSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058824 1099504487 /nfs/dbraw/zinc/50/44/87/1099504487.db2.gz ZUCLYOAMHIQHCM-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001026494501 1100028495 /nfs/dbraw/zinc/02/84/95/1100028495.db2.gz RVNXWWDGFGMBSS-WWDZGPRUSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793849 1100042573 /nfs/dbraw/zinc/04/25/73/1100042573.db2.gz URLLCGKTDIDDOK-NLWGTHIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395607 1100554786 /nfs/dbraw/zinc/55/47/86/1100554786.db2.gz BIBSUNKEFKXBSC-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105395619 1100556507 /nfs/dbraw/zinc/55/65/07/1100556507.db2.gz BMBGYPNSNICTIS-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105395697 1100558091 /nfs/dbraw/zinc/55/80/91/1100558091.db2.gz DGUTYYZSCGQHPA-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001105395687 1100558321 /nfs/dbraw/zinc/55/83/21/1100558321.db2.gz CZHVSLIDWLGMGX-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396069 1100572543 /nfs/dbraw/zinc/57/25/43/1100572543.db2.gz IAYZLLIMQPLPLI-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396828 1100611081 /nfs/dbraw/zinc/61/10/81/1100611081.db2.gz WZNCHOATILLZMB-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699122 1100678957 /nfs/dbraw/zinc/67/89/57/1100678957.db2.gz CIDHUSCBNYFMBG-ZCNNSNEGSA-N 2 0 345.531 2.776 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762630 1100739484 /nfs/dbraw/zinc/73/94/84/1100739484.db2.gz FBDWJEABYSEDKA-RBUKOAKNSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845028 1100866287 /nfs/dbraw/zinc/86/62/87/1100866287.db2.gz BSUQUFPLONQXJV-DLBZAZTESA-N 2 0 333.476 2.890 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088021167 1101208286 /nfs/dbraw/zinc/20/82/86/1101208286.db2.gz XUJPOXWGTZQFMN-MSOLQXFVSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385403 1101388230 /nfs/dbraw/zinc/38/82/30/1101388230.db2.gz BMEPTDXFEMMERA-INIZCTEOSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083724 1101428803 /nfs/dbraw/zinc/42/88/03/1101428803.db2.gz FZCNBVWFVLAQMB-AEFFLSMTSA-N 2 0 345.487 2.701 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104312501 1101587853 /nfs/dbraw/zinc/58/78/53/1101587853.db2.gz GAORYZFNAPCSAZ-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129860 1101623106 /nfs/dbraw/zinc/62/31/06/1101623106.db2.gz KGCGFRHHTNTXRW-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345480 1101965219 /nfs/dbraw/zinc/96/52/19/1101965219.db2.gz ITMDYCKDGFVZTR-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001167232765 1102100178 /nfs/dbraw/zinc/10/01/78/1102100178.db2.gz PJSPOARKNMMDOH-UHFFFAOYSA-N 2 0 343.515 2.857 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232737 1102100679 /nfs/dbraw/zinc/10/06/79/1102100679.db2.gz OMLWHFAGUBAFNJ-SFHVURJKSA-N 2 0 335.536 2.951 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236274 1102112492 /nfs/dbraw/zinc/11/24/92/1102112492.db2.gz JEZJFUIWPGQJKK-ROUUACIJSA-N 2 0 335.536 2.807 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492771 1102266734 /nfs/dbraw/zinc/26/67/34/1102266734.db2.gz FHZCSWVKWDTURU-PBHICJAKSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104368806 1102315529 /nfs/dbraw/zinc/31/55/29/1102315529.db2.gz LJOFCFRMNRIRPA-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104378774 1102500116 /nfs/dbraw/zinc/50/01/16/1102500116.db2.gz FYNYAIZSIAUCRD-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104379066 1102503329 /nfs/dbraw/zinc/50/33/29/1102503329.db2.gz WFVHEIYLCRKZAC-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001104291585 1102856934 /nfs/dbraw/zinc/85/69/34/1102856934.db2.gz PJFWMJSKUBWJSZ-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001088324976 1102924338 /nfs/dbraw/zinc/92/43/38/1102924338.db2.gz DYRHHLSCFOSKDM-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001088324975 1102924368 /nfs/dbraw/zinc/92/43/68/1102924368.db2.gz DYRHHLSCFOSKDM-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327672 1102934746 /nfs/dbraw/zinc/93/47/46/1102934746.db2.gz TYQSQKGKUJUCEK-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327768 1102935468 /nfs/dbraw/zinc/93/54/68/1102935468.db2.gz WERDEBMIBIYLRX-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088329901 1102942113 /nfs/dbraw/zinc/94/21/13/1102942113.db2.gz KAVHGDZSZVDRBG-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001088339952 1103019024 /nfs/dbraw/zinc/01/90/24/1103019024.db2.gz RXGXZGUYWMFULE-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001409455561 1103090302 /nfs/dbraw/zinc/09/03/02/1103090302.db2.gz SPPVSGUCKDASII-UHFFFAOYSA-N 2 0 329.916 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001409773746 1103118106 /nfs/dbraw/zinc/11/81/06/1103118106.db2.gz VJEIPBSEZOZWDP-QGZVFWFLSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001409773665 1103121403 /nfs/dbraw/zinc/12/14/03/1103121403.db2.gz VJEIPBSEZOZWDP-KRWDZBQOSA-N 2 0 343.943 2.934 20 30 EFEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001088367240 1103194080 /nfs/dbraw/zinc/19/40/80/1103194080.db2.gz FRRATEZCBRFKIA-UYAOXDASSA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112196319 1103361595 /nfs/dbraw/zinc/36/15/95/1103361595.db2.gz CDEJLUHMGQLRLE-HUUCEWRRSA-N 2 0 349.441 2.663 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991065348 1103402396 /nfs/dbraw/zinc/40/23/96/1103402396.db2.gz FKRCHUJTAUCLEG-WSTZPKSXSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991066671 1103454975 /nfs/dbraw/zinc/45/49/75/1103454975.db2.gz JQTRDJWOZINXBY-NLWGTHIKSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001088430637 1103580662 /nfs/dbraw/zinc/58/06/62/1103580662.db2.gz UVWHSKBKFQWWJW-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378559 1104119422 /nfs/dbraw/zinc/11/94/22/1104119422.db2.gz WLNVRCFEJDWTJX-LEWJYISDSA-N 2 0 348.531 2.935 20 30 EFEDRP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001105445155 1104187528 /nfs/dbraw/zinc/18/75/28/1104187528.db2.gz UYCMTHGFTVVPPH-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP N#Cc1cnn2cc(C[NH2+]CCCCCCC[NH+]3CCCC3)cnc12 ZINC000729682300 1104770171 /nfs/dbraw/zinc/77/01/71/1104770171.db2.gz MNUJZVJXEXBUFJ-UHFFFAOYSA-N 2 0 340.475 2.737 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230255 1105683405 /nfs/dbraw/zinc/68/34/05/1105683405.db2.gz ANPDAOJVFKGGMX-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230281 1105687671 /nfs/dbraw/zinc/68/76/71/1105687671.db2.gz ANPDAOJVFKGGMX-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001105544639 1105922397 /nfs/dbraw/zinc/92/23/97/1105922397.db2.gz OYKCUYOOGRQIQY-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556264 1105930668 /nfs/dbraw/zinc/93/06/68/1105930668.db2.gz DDWHSDSMEJJGAF-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105556415 1105931143 /nfs/dbraw/zinc/93/11/43/1105931143.db2.gz FNBXUZMJIXEFMI-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H](C)n2ccnc2)CCC1 ZINC001105566747 1105944101 /nfs/dbraw/zinc/94/41/01/1105944101.db2.gz UISNLJXUVWPQEC-ROUUACIJSA-N 2 0 342.487 2.608 20 30 EFEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105575277 1105962423 /nfs/dbraw/zinc/96/24/23/1105962423.db2.gz XDGBAUPTBFGSHO-IBGZPJMESA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105576553 1105964375 /nfs/dbraw/zinc/96/43/75/1105964375.db2.gz HFJOZZWOAUSBSI-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105577510 1105966087 /nfs/dbraw/zinc/96/60/87/1105966087.db2.gz WGGOTBIGDLCEES-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@]23CC[N@H+](C2)CCC3)CCC1 ZINC001105577779 1105967033 /nfs/dbraw/zinc/96/70/33/1105967033.db2.gz ZZCIZNOBVIIPAU-NQIIRXRSSA-N 2 0 345.531 2.799 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989450594 1106203101 /nfs/dbraw/zinc/20/31/01/1106203101.db2.gz OGEMILSFCMWMIY-YJBOKZPZSA-N 2 0 349.906 2.736 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001168302036 1106425820 /nfs/dbraw/zinc/42/58/20/1106425820.db2.gz GYEJZIIVINZJAH-UHFFFAOYSA-N 2 0 329.488 2.814 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000989562913 1106446293 /nfs/dbraw/zinc/44/62/93/1106446293.db2.gz SHMSQHZXENRTHC-PBHICJAKSA-N 2 0 335.879 2.693 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001168307951 1106523462 /nfs/dbraw/zinc/52/34/62/1106523462.db2.gz NQGYCYDHPALSTL-UHFFFAOYSA-N 2 0 347.547 2.644 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168318789 1106645954 /nfs/dbraw/zinc/64/59/54/1106645954.db2.gz GNWXPVYQXYKGIP-AFMYVXGZSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040243811 1106723117 /nfs/dbraw/zinc/72/31/17/1106723117.db2.gz BVMIRSLUWWUJGG-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860520 1106750475 /nfs/dbraw/zinc/75/04/75/1106750475.db2.gz PGYWGEREXWONQA-GJYPPUQNSA-N 2 0 339.499 2.744 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327113 1106876142 /nfs/dbraw/zinc/87/61/42/1106876142.db2.gz QNKBFMQOVZSOAG-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896964 1106945888 /nfs/dbraw/zinc/94/58/88/1106945888.db2.gz LHDLIJQUNFEQJY-OAGGEKHMSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393359 1108333009 /nfs/dbraw/zinc/33/30/09/1108333009.db2.gz AZBRIISYRYXSPF-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133386 1108536629 /nfs/dbraw/zinc/53/66/29/1108536629.db2.gz LIASHPCBNUWIGY-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001106133696 1108554495 /nfs/dbraw/zinc/55/44/95/1108554495.db2.gz PTWQVPZVODVNIZ-GDBMZVCRSA-N 2 0 341.927 2.688 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142982 1108638961 /nfs/dbraw/zinc/63/89/61/1108638961.db2.gz ISLVPVAFKWNXPJ-MISYRCLQSA-N 2 0 349.563 2.983 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001168455374 1108660830 /nfs/dbraw/zinc/66/08/30/1108660830.db2.gz RNABOIOHZLKXDZ-UHFFFAOYSA-N 2 0 345.487 2.634 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076366016 1109790956 /nfs/dbraw/zinc/79/09/56/1109790956.db2.gz YUDGSZJHQXNIFZ-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249400 1111219134 /nfs/dbraw/zinc/21/91/34/1111219134.db2.gz GLBWWGLSCQJLIS-QRQLOZEOSA-N 2 0 337.552 2.981 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001106570836 1111641604 /nfs/dbraw/zinc/64/16/04/1111641604.db2.gz ATLMASDTNRLMTN-CEXWTWQISA-N 2 0 335.536 2.759 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599581 1111661306 /nfs/dbraw/zinc/66/13/06/1111661306.db2.gz MZFUGKWBOHCTEX-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099240940 1111682376 /nfs/dbraw/zinc/68/23/76/1111682376.db2.gz WIIMUBWAKDYTGA-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665521 1111708166 /nfs/dbraw/zinc/70/81/66/1111708166.db2.gz ZSAIECIWWXCIOR-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@H]1C ZINC001106727346 1111766980 /nfs/dbraw/zinc/76/69/80/1111766980.db2.gz JYGRLIAQAJZVFJ-IAGOWNOFSA-N 2 0 332.492 2.657 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729619 1111771457 /nfs/dbraw/zinc/77/14/57/1111771457.db2.gz VKLYKZKFZXKHNL-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001106862371 1111921698 /nfs/dbraw/zinc/92/16/98/1111921698.db2.gz BYZBKLIDBLHNEU-DBXWQHBBSA-N 2 0 343.515 2.724 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106869199 1111932781 /nfs/dbraw/zinc/93/27/81/1111932781.db2.gz WFXJWCWVBMTLQE-MISYRCLQSA-N 2 0 343.515 2.940 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407239 1112080236 /nfs/dbraw/zinc/08/02/36/1112080236.db2.gz XIIYWNFJVWZICO-RBUKOAKNSA-N 2 0 347.547 2.879 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415764 1112091897 /nfs/dbraw/zinc/09/18/97/1112091897.db2.gz CIPUWXDLVIJIEP-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425958 1112115511 /nfs/dbraw/zinc/11/55/11/1112115511.db2.gz GHWQPWGVRBJVER-ROUUACIJSA-N 2 0 335.536 2.900 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430374 1112122149 /nfs/dbraw/zinc/12/21/49/1112122149.db2.gz MCCOJHIBDRGION-KRWDZBQOSA-N 2 0 338.455 2.578 20 30 EFEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089472721 1112194166 /nfs/dbraw/zinc/19/41/66/1112194166.db2.gz NWDYYSHSTXLHRL-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089472723 1112194229 /nfs/dbraw/zinc/19/42/29/1112194229.db2.gz NWDYYSHSTXLHRL-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089476564 1112199981 /nfs/dbraw/zinc/19/99/81/1112199981.db2.gz HNSLODKHFVOAFD-QGZVFWFLSA-N 2 0 345.487 2.585 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486538 1112221387 /nfs/dbraw/zinc/22/13/87/1112221387.db2.gz ACGMLMTZSZQOCS-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509475 1112252031 /nfs/dbraw/zinc/25/20/31/1112252031.db2.gz HRYODMHIBROPNW-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089537448 1112277026 /nfs/dbraw/zinc/27/70/26/1112277026.db2.gz MKEDUDBNBSPKQO-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533768 1112278977 /nfs/dbraw/zinc/27/89/77/1112278977.db2.gz JMANOMUSINQEIW-IBGZPJMESA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC(C)(C)C1 ZINC001089538609 1112284146 /nfs/dbraw/zinc/28/41/46/1112284146.db2.gz XLCPFKOCBQWIKY-OALUTQOASA-N 2 0 347.547 2.881 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561168 1112310438 /nfs/dbraw/zinc/31/04/38/1112310438.db2.gz NRFFDNLXGVZKBY-LJQANCHMSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001089705766 1112857612 /nfs/dbraw/zinc/85/76/12/1112857612.db2.gz JJBIZSRNCUQHCF-MOPGFXCFSA-N 2 0 347.547 2.879 20 30 EFEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718053 1112935268 /nfs/dbraw/zinc/93/52/68/1112935268.db2.gz JSIHDKOXGAGOOS-SFHVURJKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089806632 1113060826 /nfs/dbraw/zinc/06/08/26/1113060826.db2.gz RIPNZEHWZDPTAV-OKYOBFRVSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCOc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c(F)c1 ZINC001212338669 1113105993 /nfs/dbraw/zinc/10/59/93/1113105993.db2.gz QDCDEQSHHHQSRA-KRWDZBQOSA-N 2 0 334.395 2.743 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001484830218 1117748725 /nfs/dbraw/zinc/74/87/25/1117748725.db2.gz NXYXWXZUTYISNF-AZUAARDMSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001089821637 1117924081 /nfs/dbraw/zinc/92/40/81/1117924081.db2.gz WPGCTPSSEBXFFG-FFGOWVMKSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001272699605 1118331763 /nfs/dbraw/zinc/33/17/63/1118331763.db2.gz LGVSYTIPBHLEFL-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517691 1118918119 /nfs/dbraw/zinc/91/81/19/1118918119.db2.gz DTYLWGWZVAUKOM-MAUKXSAKSA-N 2 0 326.444 2.741 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942528989 1118930086 /nfs/dbraw/zinc/93/00/86/1118930086.db2.gz CWIYMIIFQVOKLN-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CN1CCC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)C1=O ZINC001272717998 1119165898 /nfs/dbraw/zinc/16/58/98/1119165898.db2.gz CJBCNOCVMHZJIP-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943875590 1119766227 /nfs/dbraw/zinc/76/62/27/1119766227.db2.gz FBQUSAKFGMGYPL-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944044870 1119890832 /nfs/dbraw/zinc/89/08/32/1119890832.db2.gz AWKKKVLCUVRXCO-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047090 1119893746 /nfs/dbraw/zinc/89/37/46/1119893746.db2.gz NTCOTYWIPJGIAI-PXNSSMCTSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001107071788 1120258711 /nfs/dbraw/zinc/25/87/11/1120258711.db2.gz SBGWBGGYAUUYSO-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028593 1120518816 /nfs/dbraw/zinc/51/88/16/1120518816.db2.gz KAEHQECSCMLUQU-KDOFPFPSSA-N 2 0 349.906 2.941 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945031155 1120522774 /nfs/dbraw/zinc/52/27/74/1120522774.db2.gz ZFTZAFGILOEEAM-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089884 1120560180 /nfs/dbraw/zinc/56/01/80/1120560180.db2.gz IRJVJIJWIMNDJX-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945091559 1120567541 /nfs/dbraw/zinc/56/75/41/1120567541.db2.gz OKSKPUXTEYQHTH-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C[NH+]=C(NCc1c[nH]nc1C)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262584838 240361228 /nfs/dbraw/zinc/36/12/28/240361228.db2.gz RZFJACASCKXPFB-UHFFFAOYSA-N 2 0 346.523 2.572 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268969415 201229099 /nfs/dbraw/zinc/22/90/99/201229099.db2.gz MMJPKGUHHHBBKB-SFTDATJTSA-N 2 0 342.483 2.556 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277823502 201307468 /nfs/dbraw/zinc/30/74/68/201307468.db2.gz LEHXFBYOMQTFCZ-SFHVURJKSA-N 2 0 330.472 2.679 20 30 EFEDRP C=CCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000276364924 201292692 /nfs/dbraw/zinc/29/26/92/201292692.db2.gz GEQALGXIDKQODB-UHFFFAOYSA-N 2 0 329.488 2.537 20 30 EFEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCSCC#N)CC2)C[C@@H](C)O1 ZINC000177506980 239377810 /nfs/dbraw/zinc/37/78/10/239377810.db2.gz ATXVJGQDJSLFDL-IAGOWNOFSA-N 2 0 339.549 2.845 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000192705983 240059295 /nfs/dbraw/zinc/05/92/95/240059295.db2.gz XOWJEFJPZJQWGB-PMACEKPBSA-N 2 0 326.488 2.606 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000195291683 240215686 /nfs/dbraw/zinc/21/56/86/240215686.db2.gz HHAWYDBHGZFRPY-KRWDZBQOSA-N 2 0 338.455 2.944 20 30 EFEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195291369 240216080 /nfs/dbraw/zinc/21/60/80/240216080.db2.gz RGUPCIDYCMOTIB-KRWDZBQOSA-N 2 0 338.455 2.944 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249756278 240303310 /nfs/dbraw/zinc/30/33/10/240303310.db2.gz KLHQEIWCXPLTTA-FGTMMUONSA-N 2 0 343.515 2.945 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CCCSC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262293486 240345771 /nfs/dbraw/zinc/34/57/71/240345771.db2.gz HWDRNXIZBOCDGD-KRWDZBQOSA-N 2 0 346.544 2.699 20 30 EFEDRP CC[NH+](CC)Cc1cccc(CNC(NCc2ccco2)=[NH+]C)c1 ZINC000264104973 240405937 /nfs/dbraw/zinc/40/59/37/240405937.db2.gz ZHUDZWMAFWGQEQ-UHFFFAOYSA-N 2 0 328.460 2.987 20 30 EFEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])N3CCCCC3)CC2)cc1 ZINC000303867131 241197813 /nfs/dbraw/zinc/19/78/13/241197813.db2.gz CQHXTVUPLPEXPY-UHFFFAOYSA-N 2 0 344.503 2.708 20 30 EFEDRP CC(C)[C@](C)(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000329288093 241339996 /nfs/dbraw/zinc/33/99/96/241339996.db2.gz HPVQMXRZSKGCOG-MPGHIAIKSA-N 2 0 338.496 2.503 20 30 EFEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC[NH+](C2CC2)CC1 ZINC000330217274 241506883 /nfs/dbraw/zinc/50/68/83/241506883.db2.gz IIXTYOAGKUYCNM-RTBURBONSA-N 2 0 349.519 2.585 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000358150824 242113814 /nfs/dbraw/zinc/11/38/14/242113814.db2.gz HJDPRYBBFPVMIZ-UHFFFAOYSA-N 2 0 336.524 2.591 20 30 EFEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074132 242088340 /nfs/dbraw/zinc/08/83/40/242088340.db2.gz FWLLHHAIPODBMQ-QGZVFWFLSA-N 2 0 348.535 2.581 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363658569 242279369 /nfs/dbraw/zinc/27/93/69/242279369.db2.gz CJUDMOZONFYOFH-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719260 203243059 /nfs/dbraw/zinc/24/30/59/203243059.db2.gz JWBGUPIXKISLNU-SFHVURJKSA-N 2 0 340.471 2.695 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000047776532 213867909 /nfs/dbraw/zinc/86/79/09/213867909.db2.gz WROPKEKVQXDKON-UHFFFAOYSA-N 2 0 348.494 2.986 20 30 EFEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157118279 206118832 /nfs/dbraw/zinc/11/88/32/206118832.db2.gz QCABQWNTROJFBC-IBGZPJMESA-N 2 0 340.471 2.837 20 30 EFEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157464630 206136874 /nfs/dbraw/zinc/13/68/74/206136874.db2.gz SZBYSTRLNNLNNM-SFHVURJKSA-N 2 0 340.471 2.837 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000176964701 207279547 /nfs/dbraw/zinc/27/95/47/207279547.db2.gz OLLVFFBFSMISKU-UHFFFAOYSA-N 2 0 341.480 2.866 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438595 141385347 /nfs/dbraw/zinc/38/53/47/141385347.db2.gz HWNWJUPYNNDOMH-IIBYNOLFSA-N 2 0 335.451 2.976 20 30 EFEDRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000344143984 145378193 /nfs/dbraw/zinc/37/81/93/145378193.db2.gz SKLOJIIALNHMMT-LAUBAEHRSA-N 2 0 335.451 2.846 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000344171355 145384380 /nfs/dbraw/zinc/38/43/80/145384380.db2.gz RKAAPALOSMGZQI-SFHVURJKSA-N 2 0 328.504 2.969 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000364289335 149116909 /nfs/dbraw/zinc/11/69/09/149116909.db2.gz JJAMIYGWJXFCCE-NHCUHLMSSA-N 2 0 338.499 2.739 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421726 151344556 /nfs/dbraw/zinc/34/45/56/151344556.db2.gz PFUXUTHLIUNEHE-MISYRCLQSA-N 2 0 343.471 2.511 20 30 EFEDRP COc1cc(C#N)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378366735 152067752 /nfs/dbraw/zinc/06/77/52/152067752.db2.gz YZFHDVHPDMXONI-UHFFFAOYSA-N 2 0 343.471 2.501 20 30 EFEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000270849235 265847545 /nfs/dbraw/zinc/84/75/45/265847545.db2.gz GKZVIURHEPCGIO-UHFFFAOYSA-N 2 0 326.488 2.549 20 30 EFEDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N1CC[NH+](C)CC1 ZINC000271962102 266107284 /nfs/dbraw/zinc/10/72/84/266107284.db2.gz UOFSLBZGVAGEPE-KXBFYZLASA-N 2 0 332.467 2.620 20 30 EFEDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966603 266150813 /nfs/dbraw/zinc/15/08/13/266150813.db2.gz VQSCWRRQPTYGSK-INIZCTEOSA-N 2 0 332.467 2.766 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850143 267180503 /nfs/dbraw/zinc/18/05/03/267180503.db2.gz IOONTUKDGPXEFZ-RYGJVYDSSA-N 2 0 327.472 2.977 20 30 EFEDRP C[N@H+](CCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000453387127 267304957 /nfs/dbraw/zinc/30/49/57/267304957.db2.gz AXEGGOJNJHXULQ-UHFFFAOYSA-N 2 0 326.488 2.991 20 30 EFEDRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000453592205 267305235 /nfs/dbraw/zinc/30/52/35/267305235.db2.gz DLFGEGNKLPDYQJ-UHFFFAOYSA-N 2 0 337.471 2.923 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852932 268065847 /nfs/dbraw/zinc/06/58/47/268065847.db2.gz IYDHKADTXODADK-RTWAWAEBSA-N 2 0 338.499 2.739 20 30 EFEDRP C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000411421606 274347318 /nfs/dbraw/zinc/34/73/18/274347318.db2.gz BFCDDXCGIVGOBI-GOSISDBHSA-N 2 0 332.536 2.951 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000079065896 276891661 /nfs/dbraw/zinc/89/16/61/276891661.db2.gz JHIWDNZCAGOPID-LJQANCHMSA-N 2 0 348.535 2.611 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000262492732 278218065 /nfs/dbraw/zinc/21/80/65/278218065.db2.gz JNLHHGIGPUAOHK-HLLBOEOZSA-N 2 0 330.476 2.677 20 30 EFEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343721680 278305649 /nfs/dbraw/zinc/30/56/49/278305649.db2.gz CTTQJVFACLHYNN-IAGOWNOFSA-N 2 0 326.488 2.720 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160157899 288102398 /nfs/dbraw/zinc/10/23/98/288102398.db2.gz HBMBVPJPKBWBAI-GFIVTLFCSA-N 2 0 344.478 2.984 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349082761 279330076 /nfs/dbraw/zinc/33/00/76/279330076.db2.gz XNYSTUSCMXYUJH-SFHVURJKSA-N 2 0 332.467 2.545 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CC2 ZINC000554981603 318342500 /nfs/dbraw/zinc/34/25/00/318342500.db2.gz DTKILKFHLQBQSS-AABGKKOBSA-N 2 0 325.456 2.513 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000574440831 319862641 /nfs/dbraw/zinc/86/26/41/319862641.db2.gz GCXYVAZQOSQJPE-SFHVURJKSA-N 2 0 326.488 2.502 20 30 EFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000576911149 320059509 /nfs/dbraw/zinc/05/95/09/320059509.db2.gz IHWABEQNUWKZFB-UNMCSNQZSA-N 2 0 347.462 2.902 20 30 EFEDRP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000580541206 324184162 /nfs/dbraw/zinc/18/41/62/324184162.db2.gz NYYCFUBCNNLQQQ-AGERRDQYSA-N 2 0 328.460 2.763 20 30 EFEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(F)c1 ZINC000580639800 324202777 /nfs/dbraw/zinc/20/27/77/324202777.db2.gz NWVADPJWGWTJLB-LVYZTWJOSA-N 2 0 328.435 2.539 20 30 EFEDRP C=CCN1CCC([NH2+][C@H](C)CCCOc2ccccc2C(N)=O)CC1 ZINC000137460835 473206362 /nfs/dbraw/zinc/20/63/62/473206362.db2.gz KFMMWTYKFODNIA-MRXNPFEDSA-N 2 0 345.487 2.573 20 30 EFEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000083032079 473315852 /nfs/dbraw/zinc/31/58/52/473315852.db2.gz VMNVLKYPFCNVLY-SFHVURJKSA-N 2 0 338.455 2.676 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083034080 473317010 /nfs/dbraw/zinc/31/70/10/473317010.db2.gz XANSZSJKDGTFFJ-NVXWUHKLSA-N 2 0 330.476 2.535 20 30 EFEDRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000069171050 472303169 /nfs/dbraw/zinc/30/31/69/472303169.db2.gz KCZAEVQYDJLZEK-OAQYLSRUSA-N 2 0 334.467 2.637 20 30 EFEDRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000069171049 472303195 /nfs/dbraw/zinc/30/31/95/472303195.db2.gz KCZAEVQYDJLZEK-NRFANRHFSA-N 2 0 334.467 2.637 20 30 EFEDRP COc1ccc(C#N)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000154196672 472401707 /nfs/dbraw/zinc/40/17/07/472401707.db2.gz OAWKWWMXAAUPCY-UHFFFAOYSA-N 2 0 343.471 2.644 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000069892508 472459184 /nfs/dbraw/zinc/45/91/84/472459184.db2.gz DUXLYKKONRQLJV-QGZVFWFLSA-N 2 0 341.499 2.577 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000104173497 472659202 /nfs/dbraw/zinc/65/92/02/472659202.db2.gz CIGFEOFJCHOPOY-UHFFFAOYSA-N 2 0 348.516 2.783 20 30 EFEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000072720104 472706845 /nfs/dbraw/zinc/70/68/45/472706845.db2.gz FXXKSFQARHPTKL-SFHVURJKSA-N 2 0 340.471 2.695 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000106259472 472835719 /nfs/dbraw/zinc/83/57/19/472835719.db2.gz BDURLYXAQDZVAY-UHFFFAOYSA-N 2 0 344.503 2.588 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000106329208 472840720 /nfs/dbraw/zinc/84/07/20/472840720.db2.gz URVBBIIGIZNUCZ-QGZVFWFLSA-N 2 0 336.524 2.591 20 30 EFEDRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000160127748 473089600 /nfs/dbraw/zinc/08/96/00/473089600.db2.gz KRECIITYRBXVKZ-HYVNUMGLSA-N 2 0 330.451 2.738 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000113403928 473392718 /nfs/dbraw/zinc/39/27/18/473392718.db2.gz MBQXDPMJQWMBAR-GOSISDBHSA-N 2 0 336.524 2.591 20 30 EFEDRP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000177697289 473420037 /nfs/dbraw/zinc/42/00/37/473420037.db2.gz XEJILQBSXQKOKF-UHFFFAOYSA-N 2 0 341.480 2.866 20 30 EFEDRP C[C@@H](NCC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688378 473488738 /nfs/dbraw/zinc/48/87/38/473488738.db2.gz BQUMPEVIPIQJOR-SJORKVTESA-N 2 0 346.519 2.572 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185782109 473513207 /nfs/dbraw/zinc/51/32/07/473513207.db2.gz QGBQXAMXPBUSCR-LEWJYISDSA-N 2 0 340.515 2.996 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)C(C)C ZINC000192519664 473687986 /nfs/dbraw/zinc/68/79/86/473687986.db2.gz IRTXFLRFYALUJA-AZUAARDMSA-N 2 0 329.488 2.675 20 30 EFEDRP COc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]2CCCCC2)cc1 ZINC000263261684 473746545 /nfs/dbraw/zinc/74/65/45/473746545.db2.gz SURPRJLVBJWNCJ-SFHVURJKSA-N 2 0 332.492 2.701 20 30 EFEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180113394 473801417 /nfs/dbraw/zinc/80/14/17/473801417.db2.gz CTQFJXOXPMZMRM-KRWDZBQOSA-N 2 0 337.471 2.780 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000264082362 473947660 /nfs/dbraw/zinc/94/76/60/473947660.db2.gz HWSNEMBLOYRFIJ-UHFFFAOYSA-N 2 0 332.492 2.650 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000264080807 473948188 /nfs/dbraw/zinc/94/81/88/473948188.db2.gz HCYXLLPEXUSNBQ-CQSZACIVSA-N 2 0 334.464 2.551 20 30 EFEDRP Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])NC(C)(C)C)CC2)c1 ZINC000264080882 473948347 /nfs/dbraw/zinc/94/83/47/473948347.db2.gz HFPSWVHOHBPQGA-UHFFFAOYSA-N 2 0 345.535 2.600 20 30 EFEDRP CCCCNC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000264094889 473949716 /nfs/dbraw/zinc/94/97/16/473949716.db2.gz MEONXWBCPTYTBB-UHFFFAOYSA-N 2 0 332.492 2.612 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264148345 473953911 /nfs/dbraw/zinc/95/39/11/473953911.db2.gz YNSLMPMZAYFRMJ-LBPRGKRZSA-N 2 0 330.354 2.796 20 30 EFEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000613666887 480073989 /nfs/dbraw/zinc/07/39/89/480073989.db2.gz ZUTUGRUWXXIIEJ-JXFKEZNVSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000613666889 480074459 /nfs/dbraw/zinc/07/44/59/480074459.db2.gz ZUTUGRUWXXIIEJ-OXQOHEQNSA-N 2 0 326.488 2.551 20 30 EFEDRP C=C(C)CN(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000181278110 474021602 /nfs/dbraw/zinc/02/16/02/474021602.db2.gz QDLNAPNVRIMBSN-UHFFFAOYSA-N 2 0 329.488 2.537 20 30 EFEDRP C=C(C)CN(C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000181277975 474021974 /nfs/dbraw/zinc/02/19/74/474021974.db2.gz TVBMBGGKTSIYNI-UHFFFAOYSA-N 2 0 329.488 2.537 20 30 EFEDRP C=C(C)CN(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000181278009 474022372 /nfs/dbraw/zinc/02/23/72/474022372.db2.gz RWSQJBVTAGVTFS-UHFFFAOYSA-N 2 0 333.501 2.682 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181309428 474025437 /nfs/dbraw/zinc/02/54/37/474025437.db2.gz WQCBIFZJOIBFOQ-KRWDZBQOSA-N 2 0 329.488 2.664 20 30 EFEDRP CCN1CCC[C@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181407688 474034585 /nfs/dbraw/zinc/03/45/85/474034585.db2.gz KHZSNNTZXZYPOH-FQEVSTJZSA-N 2 0 326.488 2.597 20 30 EFEDRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181660065 474055030 /nfs/dbraw/zinc/05/50/30/474055030.db2.gz BTMWFSXZJRTNFZ-INIZCTEOSA-N 2 0 331.460 2.740 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905820 474480241 /nfs/dbraw/zinc/48/02/41/474480241.db2.gz WNNHFEOYNJHMNA-HNAYVOBHSA-N 2 0 333.451 2.924 20 30 EFEDRP Cn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C#N ZINC000283869861 474516700 /nfs/dbraw/zinc/51/67/00/474516700.db2.gz GPZRTUKMCDSTBC-UHFFFAOYSA-N 2 0 338.455 2.660 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284209231 474595910 /nfs/dbraw/zinc/59/59/10/474595910.db2.gz ZKHSXZUSUSKNMS-UHFFFAOYSA-N 2 0 332.492 2.610 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000271870235 474596608 /nfs/dbraw/zinc/59/66/08/474596608.db2.gz MLAQIXOWQWEXPX-CWFSZBLJSA-N 2 0 343.471 2.617 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291398509 474602764 /nfs/dbraw/zinc/60/27/64/474602764.db2.gz DOONKPNLDGEGEP-GOSISDBHSA-N 2 0 341.499 2.665 20 30 EFEDRP CCCCNC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267308206 474644238 /nfs/dbraw/zinc/64/42/38/474644238.db2.gz LMCKJFCCQIFAMO-UHFFFAOYSA-N 2 0 346.519 2.762 20 30 EFEDRP CC[C@H](C)NC(=[NH2+])NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267336302 474651365 /nfs/dbraw/zinc/65/13/65/474651365.db2.gz PHKWAPWBVRBRAA-KRWDZBQOSA-N 2 0 346.519 2.761 20 30 EFEDRP C=CCN1CC[C@H]([NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000337162857 474749967 /nfs/dbraw/zinc/74/99/67/474749967.db2.gz WDRVHSBYGDMERE-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337196571 474774468 /nfs/dbraw/zinc/77/44/68/474774468.db2.gz WMNZFKRJMLKGCK-GOSISDBHSA-N 2 0 337.508 2.520 20 30 EFEDRP C=CCOCC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000293755576 475051223 /nfs/dbraw/zinc/05/12/23/475051223.db2.gz JITHSBNQSCPFHP-MRXNPFEDSA-N 2 0 335.467 2.821 20 30 EFEDRP CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329763441 475127448 /nfs/dbraw/zinc/12/74/48/475127448.db2.gz UNDGBUNEZIANSD-INIZCTEOSA-N 2 0 327.432 2.764 20 30 EFEDRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000329810974 475137820 /nfs/dbraw/zinc/13/78/20/475137820.db2.gz MQOKJSBDEJTACC-NVXWUHKLSA-N 2 0 345.491 2.558 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCc2nccn21)C(C)C ZINC000352607256 475455655 /nfs/dbraw/zinc/45/56/55/475455655.db2.gz RBVZRVQOROERMR-SJORKVTESA-N 2 0 330.476 2.575 20 30 EFEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000352810955 475644942 /nfs/dbraw/zinc/64/49/42/475644942.db2.gz QPCVGEJMRMAATK-PXNSSMCTSA-N 2 0 341.499 2.795 20 30 EFEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000352810956 475645611 /nfs/dbraw/zinc/64/56/11/475645611.db2.gz QPCVGEJMRMAATK-XLIONFOSSA-N 2 0 341.499 2.795 20 30 EFEDRP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)CC[C@H]21 ZINC000361677475 475654349 /nfs/dbraw/zinc/65/43/49/475654349.db2.gz HGONOPZFVWLJCL-DLBZAZTESA-N 2 0 337.427 2.524 20 30 EFEDRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000343065212 475736416 /nfs/dbraw/zinc/73/64/16/475736416.db2.gz SSCLJOUTVNUAQE-MRXNPFEDSA-N 2 0 342.487 2.542 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000353241194 475797514 /nfs/dbraw/zinc/79/75/14/475797514.db2.gz LHRIFGACKDMRII-QHAWAJNXSA-N 2 0 339.483 2.903 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358794399 475943942 /nfs/dbraw/zinc/94/39/42/475943942.db2.gz HGQPAHHCXWLHTC-QGZVFWFLSA-N 2 0 336.524 2.591 20 30 EFEDRP C=CCOc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000349333005 475946091 /nfs/dbraw/zinc/94/60/91/475946091.db2.gz PPCXVTFJVKVBEN-GOSISDBHSA-N 2 0 343.515 2.852 20 30 EFEDRP C=CCOc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000349333006 475946877 /nfs/dbraw/zinc/94/68/77/475946877.db2.gz PPCXVTFJVKVBEN-SFHVURJKSA-N 2 0 343.515 2.852 20 30 EFEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343721685 476104958 /nfs/dbraw/zinc/10/49/58/476104958.db2.gz CTTQJVFACLHYNN-SJORKVTESA-N 2 0 326.488 2.720 20 30 EFEDRP CC[NH+](CC)Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000299582737 476144367 /nfs/dbraw/zinc/14/43/67/476144367.db2.gz CVFIRWCEDFPCBF-UHFFFAOYSA-N 2 0 344.503 2.836 20 30 EFEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000350344551 476145068 /nfs/dbraw/zinc/14/50/68/476145068.db2.gz ZUOLCBXMDTUKAD-KRWDZBQOSA-N 2 0 337.471 2.780 20 30 EFEDRP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144074 476164301 /nfs/dbraw/zinc/16/43/01/476164301.db2.gz SSCKHZLESGCNEP-UWJYYQICSA-N 2 0 335.451 2.846 20 30 EFEDRP C[NH+](C)CC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000350917545 476313287 /nfs/dbraw/zinc/31/32/87/476313287.db2.gz JDUDQFKIKGVUBW-UHFFFAOYSA-N 2 0 346.500 2.514 20 30 EFEDRP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377633978 476490319 /nfs/dbraw/zinc/49/03/19/476490319.db2.gz WDYNVRYPAMKLNU-HXUWFJFHSA-N 2 0 343.515 2.852 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000354285694 476561313 /nfs/dbraw/zinc/56/13/13/476561313.db2.gz WPTIAZXEWRWLDO-LJQANCHMSA-N 2 0 329.488 2.664 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000415980680 476976619 /nfs/dbraw/zinc/97/66/19/476976619.db2.gz TYJIJYZUTSRRBI-SFHVURJKSA-N 2 0 330.476 2.965 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000447575103 477014481 /nfs/dbraw/zinc/01/44/81/477014481.db2.gz QJOTWCGHXNDXAR-XUVXKRRUSA-N 2 0 327.472 2.977 20 30 EFEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578243 477075320 /nfs/dbraw/zinc/07/53/20/477075320.db2.gz UIAZDOGXTJOTHP-OALUTQOASA-N 2 0 326.488 2.652 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)C1 ZINC000424126023 477300111 /nfs/dbraw/zinc/30/01/11/477300111.db2.gz BAQXXDHXANEBHS-QAPCUYQASA-N 2 0 328.460 2.878 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000424130756 477301149 /nfs/dbraw/zinc/30/11/49/477301149.db2.gz HTZQUGDCCODVDN-DLBZAZTESA-N 2 0 348.878 2.614 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000424130760 477301276 /nfs/dbraw/zinc/30/12/76/477301276.db2.gz HTZQUGDCCODVDN-IRXDYDNUSA-N 2 0 348.878 2.614 20 30 EFEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)C1 ZINC000424139357 477304496 /nfs/dbraw/zinc/30/44/96/477304496.db2.gz VDJBNPCBCDIDRQ-VQIMIIECSA-N 2 0 342.487 2.556 20 30 EFEDRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCC1)c1ccccc1 ZINC000424149877 477309456 /nfs/dbraw/zinc/30/94/56/477309456.db2.gz XSTIHVGSVOLMBC-AEFFLSMTSA-N 2 0 342.487 2.787 20 30 EFEDRP C[NH+]1CCC(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000367603485 477595882 /nfs/dbraw/zinc/59/58/82/477595882.db2.gz ZVRIQVRDSROXHX-UHFFFAOYSA-N 2 0 326.488 2.849 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000515404059 477819134 /nfs/dbraw/zinc/81/91/34/477819134.db2.gz HNKMIFZGADPYQM-QKNQBKEWSA-N 2 0 338.499 2.500 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000558403430 477864177 /nfs/dbraw/zinc/86/41/77/477864177.db2.gz NBHDQKBIUMBUOV-QGZVFWFLSA-N 2 0 337.471 2.779 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821062 477889558 /nfs/dbraw/zinc/88/95/58/477889558.db2.gz RDJDSSXRWSQCBM-QAPCUYQASA-N 2 0 328.460 2.691 20 30 EFEDRP C=CCC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000438973771 477913398 /nfs/dbraw/zinc/91/33/98/477913398.db2.gz AMRJQZAOCFJGCB-HXUWFJFHSA-N 2 0 328.504 2.928 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532950162 478012980 /nfs/dbraw/zinc/01/29/80/478012980.db2.gz QBPYPUZNFWVAAI-MRXNPFEDSA-N 2 0 342.487 2.937 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000517191986 478060307 /nfs/dbraw/zinc/06/03/07/478060307.db2.gz LXOBAZRWKXXVHC-UHFFFAOYSA-N 2 0 336.524 2.543 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000579826588 478349121 /nfs/dbraw/zinc/34/91/21/478349121.db2.gz HBLOFZGPKQZSBY-DLBZAZTESA-N 2 0 348.878 2.614 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000490913213 478402540 /nfs/dbraw/zinc/40/25/40/478402540.db2.gz CNTZEZJFGZRZKP-UHFFFAOYSA-N 2 0 339.483 2.607 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000562988658 478403375 /nfs/dbraw/zinc/40/33/75/478403375.db2.gz AECONDRSTCNBAN-GUDVDZBRSA-N 2 0 332.488 2.617 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000570795003 478446568 /nfs/dbraw/zinc/44/65/68/478446568.db2.gz KLCFUHAJHOBAIA-CTWPCTMYSA-N 2 0 332.488 2.617 20 30 EFEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570790 478583963 /nfs/dbraw/zinc/58/39/63/478583963.db2.gz OHEWISPXKMEPJU-APWZRJJASA-N 2 0 341.503 2.822 20 30 EFEDRP N#Cc1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000595299212 478720731 /nfs/dbraw/zinc/72/07/31/478720731.db2.gz WZIQZWBBJFCGGC-UHFFFAOYSA-N 2 0 327.472 2.535 20 30 EFEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000601967077 479099413 /nfs/dbraw/zinc/09/94/13/479099413.db2.gz HRUKNLIEXHEVQL-NEWSRXKRSA-N 2 0 329.488 2.645 20 30 EFEDRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000602019094 479141791 /nfs/dbraw/zinc/14/17/91/479141791.db2.gz APCSEYIHLLNTBH-CYBMUJFWSA-N 2 0 325.391 2.675 20 30 EFEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954667 479216880 /nfs/dbraw/zinc/21/68/80/479216880.db2.gz XCFMFKHNWNCLJV-HXUWFJFHSA-N 2 0 340.515 2.843 20 30 EFEDRP CN(C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)C1(C#N)CCCCC1 ZINC000603110073 479253013 /nfs/dbraw/zinc/25/30/13/479253013.db2.gz LSSNYRBHTDATJC-UHFFFAOYSA-N 2 0 348.535 2.869 20 30 EFEDRP C[C@H]1C[C@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000593316968 479291686 /nfs/dbraw/zinc/29/16/86/479291686.db2.gz DFASPPDICLCMOV-FUHWJXTLSA-N 2 0 326.488 2.500 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320212 479293889 /nfs/dbraw/zinc/29/38/89/479293889.db2.gz AQXLJKLQHPUNTK-UZLBHIALSA-N 2 0 326.488 2.500 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000593323321 479294757 /nfs/dbraw/zinc/29/47/57/479294757.db2.gz UFVXQVPTTXDQCT-QKNQBKEWSA-N 2 0 338.499 2.500 20 30 EFEDRP CC(C)[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611390953 479365872 /nfs/dbraw/zinc/36/58/72/479365872.db2.gz XBTRTBPCZKBODY-SFTDATJTSA-N 2 0 340.515 2.797 20 30 EFEDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390659 479366319 /nfs/dbraw/zinc/36/63/19/479366319.db2.gz NBMFZCOJJHHJFB-LJQANCHMSA-N 2 0 326.488 2.551 20 30 EFEDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392127 479366339 /nfs/dbraw/zinc/36/63/39/479366339.db2.gz MEWLFFIAUGGKOY-FQEVSTJZSA-N 2 0 326.488 2.553 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000611392873 479366617 /nfs/dbraw/zinc/36/66/17/479366617.db2.gz RJAVYUVVVMRPBE-UYAOXDASSA-N 2 0 327.472 2.762 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000611392871 479367577 /nfs/dbraw/zinc/36/75/77/479367577.db2.gz RJAVYUVVVMRPBE-ICSRJNTNSA-N 2 0 327.472 2.762 20 30 EFEDRP C[C@H](CCC#N)C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000602508245 479372995 /nfs/dbraw/zinc/37/29/95/479372995.db2.gz LJVYQVFPWJSNPU-QUCCMNQESA-N 2 0 328.504 2.895 20 30 EFEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000599658535 479375413 /nfs/dbraw/zinc/37/54/13/479375413.db2.gz AVEYRQIJIUKDIY-INIZCTEOSA-N 2 0 342.487 2.521 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602515801 479377408 /nfs/dbraw/zinc/37/74/08/479377408.db2.gz YDRLTVCMOPZVFU-SFHVURJKSA-N 2 0 328.504 2.854 20 30 EFEDRP Cc1cc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)nn1C ZINC000593725038 479435512 /nfs/dbraw/zinc/43/55/12/479435512.db2.gz ICFAYJXMPVDQNP-INIZCTEOSA-N 2 0 337.471 2.915 20 30 EFEDRP C=CCNC(=O)C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639725955 481460964 /nfs/dbraw/zinc/46/09/64/481460964.db2.gz OHLRINJECYJRQB-UHFFFAOYSA-N 2 0 341.499 2.667 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)C(C)C ZINC000662380754 481772426 /nfs/dbraw/zinc/77/24/26/481772426.db2.gz PSUJMXMPYSWDRI-LJQANCHMSA-N 2 0 327.472 2.718 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000170903786 534074733 /nfs/dbraw/zinc/07/47/33/534074733.db2.gz FOZVIVLZNXKMIA-MRXNPFEDSA-N 2 0 332.492 2.754 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000177384304 534075716 /nfs/dbraw/zinc/07/57/16/534075716.db2.gz PILIUPJOERZFEL-UHFFFAOYSA-N 2 0 346.519 2.858 20 30 EFEDRP C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccco1 ZINC000414192654 534795648 /nfs/dbraw/zinc/79/56/48/534795648.db2.gz MABWJDNYJZEHBF-GOSISDBHSA-N 2 0 347.503 2.673 20 30 EFEDRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181591829 525543062 /nfs/dbraw/zinc/54/30/62/525543062.db2.gz YHHKIAVBOFPIJV-MRXNPFEDSA-N 2 0 335.455 2.556 20 30 EFEDRP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353953577 534912692 /nfs/dbraw/zinc/91/26/92/534912692.db2.gz GFGXPTXEIGCFSP-NRFANRHFSA-N 2 0 340.515 2.987 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000174666421 526443808 /nfs/dbraw/zinc/44/38/08/526443808.db2.gz VKJOUWBGZRHJNB-FQEVSTJZSA-N 2 0 341.499 2.808 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171714435 526445306 /nfs/dbraw/zinc/44/53/06/526445306.db2.gz RNJZNLPNGLYOBO-IBGZPJMESA-N 2 0 341.499 2.665 20 30 EFEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000177904788 526452232 /nfs/dbraw/zinc/45/22/32/526452232.db2.gz GJZYGPWRGIQPDY-KRWDZBQOSA-N 2 0 331.504 2.928 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000180795368 526609831 /nfs/dbraw/zinc/60/98/31/526609831.db2.gz ARNJYSLLPFDKCH-UHFFFAOYSA-N 2 0 333.501 2.944 20 30 EFEDRP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000180988595 526783645 /nfs/dbraw/zinc/78/36/45/526783645.db2.gz BRADANSJLORJPH-SFHVURJKSA-N 2 0 341.480 2.866 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000177050735 527261265 /nfs/dbraw/zinc/26/12/65/527261265.db2.gz XOMPSOGHZPQBGU-FQEVSTJZSA-N 2 0 346.515 2.961 20 30 EFEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158934043 528355733 /nfs/dbraw/zinc/35/57/33/528355733.db2.gz GMCCKTBXGYDNSO-GOSISDBHSA-N 2 0 348.535 2.725 20 30 EFEDRP CC(C)[C@]1(C)C[C@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263137063 535290733 /nfs/dbraw/zinc/29/07/33/535290733.db2.gz NTSCWPLKRBCWMQ-QUCCMNQESA-N 2 0 328.504 2.990 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262461705 535549984 /nfs/dbraw/zinc/54/99/84/535549984.db2.gz MPMRZUJYLHQTLZ-DJIMGWMZSA-N 2 0 334.895 2.975 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000195291789 536655747 /nfs/dbraw/zinc/65/57/47/536655747.db2.gz HHAWYDBHGZFRPY-QGZVFWFLSA-N 2 0 338.455 2.944 20 30 EFEDRP C=CCc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(O)c(OC)c1 ZINC000754739800 575480901 /nfs/dbraw/zinc/48/09/01/575480901.db2.gz BMNFOJOXCKOKPD-UHFFFAOYSA-N 2 0 348.487 2.672 20 30 EFEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000762480863 576306309 /nfs/dbraw/zinc/30/63/09/576306309.db2.gz CRLPEPUXDHLVMA-SJORKVTESA-N 2 0 331.460 2.568 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000763949923 576413507 /nfs/dbraw/zinc/41/35/07/576413507.db2.gz CGAXXBSAVLQCAF-UHFFFAOYSA-N 2 0 337.467 2.602 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000764246123 576444050 /nfs/dbraw/zinc/44/40/50/576444050.db2.gz HDHSOYFGVIJDBG-KRWDZBQOSA-N 2 0 335.879 2.711 20 30 EFEDRP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752514548 1249753036 /nfs/dbraw/zinc/75/30/36/1249753036.db2.gz RXMPIVIEXFTRIO-SFHVURJKSA-N 2 0 347.547 2.833 20 30 EFEDRP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000719925774 1251376830 /nfs/dbraw/zinc/37/68/30/1251376830.db2.gz PWVDWGJCFDYRDX-OALUTQOASA-N 2 0 342.487 2.521 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834937 1251683128 /nfs/dbraw/zinc/68/31/28/1251683128.db2.gz ZNBGYOXYJCVIAL-MOPGFXCFSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001752834938 1251683204 /nfs/dbraw/zinc/68/32/04/1251683204.db2.gz ZNBGYOXYJCVIAL-OALUTQOASA-N 2 0 333.520 2.894 20 30 EFEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683866 1252165900 /nfs/dbraw/zinc/16/59/00/1252165900.db2.gz IGBKKPQKGCVJNJ-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC000995822049 1254745052 /nfs/dbraw/zinc/74/50/52/1254745052.db2.gz KWBFMMNOVWULMJ-OAHLLOKOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)CC1(C)C ZINC000995944295 1254859651 /nfs/dbraw/zinc/85/96/51/1254859651.db2.gz BGMMHMSQBVEAAK-AWEZNQCLSA-N 2 0 338.883 2.506 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996097002 1255005726 /nfs/dbraw/zinc/00/57/26/1255005726.db2.gz DZGAGCFMTPYPBB-IBGZPJMESA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC000996186720 1255062571 /nfs/dbraw/zinc/06/25/71/1255062571.db2.gz AXJUUEWHRLTHSN-HOTGVXAUSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299982 1255184935 /nfs/dbraw/zinc/18/49/35/1255184935.db2.gz HWULHVLJTYLFHY-DNVCBOLYSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996506587 1255371011 /nfs/dbraw/zinc/37/10/11/1255371011.db2.gz MVMYYTGHNLJTNU-GHTZIAJQSA-N 2 0 343.515 2.866 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996674776 1255707572 /nfs/dbraw/zinc/70/75/72/1255707572.db2.gz WPFXDPKBJCCBSJ-QGZVFWFLSA-N 2 0 349.906 2.941 20 30 EFEDRP C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1)C1CCCC1 ZINC001098819623 1255723017 /nfs/dbraw/zinc/72/30/17/1255723017.db2.gz BSZOHPWOEUJPPW-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996680783 1255734069 /nfs/dbraw/zinc/73/40/69/1255734069.db2.gz VEHVJQQYGZRLTG-MRXNPFEDSA-N 2 0 327.900 2.582 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407809 1255755445 /nfs/dbraw/zinc/75/54/45/1255755445.db2.gz GRSHYHOCWGXTEY-WIYYLYMNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3ccnc3CC)CCC[C@@H]12 ZINC001107413783 1255778936 /nfs/dbraw/zinc/77/89/36/1255778936.db2.gz RXRJEHLLGXIRKI-SQGPQFPESA-N 2 0 344.503 2.943 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1)C1CCCC1 ZINC001098820239 1255817527 /nfs/dbraw/zinc/81/75/27/1255817527.db2.gz HBPKKRDGEUCTJG-QUCCMNQESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000996754171 1255952077 /nfs/dbraw/zinc/95/20/77/1255952077.db2.gz XQGZVYVKHOSNOQ-UHFFFAOYSA-N 2 0 341.927 2.973 20 30 EFEDRP CC#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821506 1255992597 /nfs/dbraw/zinc/99/25/97/1255992597.db2.gz PAXIYWJTXPFTDR-AZUAARDMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107537966 1256078448 /nfs/dbraw/zinc/07/84/48/1256078448.db2.gz DWGYWOOJUVIISR-JFIYKMOQSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550215 1256100497 /nfs/dbraw/zinc/10/04/97/1256100497.db2.gz PXZYUGGMVRBNRE-NLWGTHIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552969 1256118779 /nfs/dbraw/zinc/11/87/79/1256118779.db2.gz YEIAITONYANCIA-YLJYHZDGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107579729 1256191274 /nfs/dbraw/zinc/19/12/74/1256191274.db2.gz MNKDGANGTUWTNN-QWFCFKBJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000996838231 1256233266 /nfs/dbraw/zinc/23/32/66/1256233266.db2.gz SDUIUTHFRPXXCF-UHFFFAOYSA-N 2 0 349.906 2.737 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635434 1256333111 /nfs/dbraw/zinc/33/31/11/1256333111.db2.gz PSLDHCZPWBHXBK-TZIWHRDSSA-N 2 0 345.531 2.637 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643304 1256363035 /nfs/dbraw/zinc/36/30/35/1256363035.db2.gz GSOLYQFSEAPMQP-UYAOXDASSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997169627 1257190681 /nfs/dbraw/zinc/19/06/81/1257190681.db2.gz FXAMEZWONYEUHK-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000997366778 1257456702 /nfs/dbraw/zinc/45/67/02/1257456702.db2.gz KTXXLWDXHKDPPD-KRWDZBQOSA-N 2 0 341.927 2.830 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC000997435089 1257580285 /nfs/dbraw/zinc/58/02/85/1257580285.db2.gz VBFYJBJXJAPBDO-QZTJIDSGSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997613925 1258116261 /nfs/dbraw/zinc/11/62/61/1258116261.db2.gz MEFJKZFGPHAUDK-HKUYNNGSSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997728510 1258307516 /nfs/dbraw/zinc/30/75/16/1258307516.db2.gz HLVTZAGOJLZUKG-LNLFQRSKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997728564 1258316760 /nfs/dbraw/zinc/31/67/60/1258316760.db2.gz IDEDHUJZFLZUTC-ZOBUZTSGSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997827798 1258500460 /nfs/dbraw/zinc/50/04/60/1258500460.db2.gz DEJHCHIEVWRBBW-INIZCTEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997837569 1258514149 /nfs/dbraw/zinc/51/41/49/1258514149.db2.gz WQARJXBVQLRXBH-HNNXBMFYSA-N 2 0 330.476 2.554 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000997874873 1258557682 /nfs/dbraw/zinc/55/76/82/1258557682.db2.gz SXKPJHZXKQRMSY-SFHVURJKSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000998051906 1259034636 /nfs/dbraw/zinc/03/46/36/1259034636.db2.gz NQVDBOOYOHFKHV-ZWKOTPCHSA-N 2 0 344.503 2.725 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998090843 1259095962 /nfs/dbraw/zinc/09/59/62/1259095962.db2.gz BOAYRVNPUYPUPE-UXHICEINSA-N 2 0 347.547 2.835 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998098275 1259108174 /nfs/dbraw/zinc/10/81/74/1259108174.db2.gz OJWIVPWRFPADEL-FHWLQOOXSA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102204 1259113047 /nfs/dbraw/zinc/11/30/47/1259113047.db2.gz LHSDOIAUTDRSQJ-WOJBJXKFSA-N 2 0 347.547 2.835 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000998115960 1259130953 /nfs/dbraw/zinc/13/09/53/1259130953.db2.gz MFVFNORCPIAVAR-IAGOWNOFSA-N 2 0 342.487 2.556 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164804 1259181275 /nfs/dbraw/zinc/18/12/75/1259181275.db2.gz KEYJWLBEFIWLBU-FQEVSTJZSA-N 2 0 347.547 2.833 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000998190480 1259213445 /nfs/dbraw/zinc/21/34/45/1259213445.db2.gz QDBBKXHDYZAQIZ-HXUWFJFHSA-N 2 0 341.499 2.698 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+](CC3CC[NH+](CC)CC3)CC2)C1=O ZINC001273143979 1259952530 /nfs/dbraw/zinc/95/25/30/1259952530.db2.gz NAQUHCLLOFNXFQ-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCN1c2ccccc2[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144459 1260171652 /nfs/dbraw/zinc/17/16/52/1260171652.db2.gz QDPRKFFMHCUJPN-DYESRHJHSA-N 2 0 339.483 2.505 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999169438 1260292115 /nfs/dbraw/zinc/29/21/15/1260292115.db2.gz RLSWGXYICDGIEX-UHFFFAOYSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)CN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273144924 1260377301 /nfs/dbraw/zinc/37/73/01/1260377301.db2.gz UJSISHUSCBNZCA-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999292839 1260493652 /nfs/dbraw/zinc/49/36/52/1260493652.db2.gz GUHNICDUHYRHSQ-KVZIAJEVSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000999671569 1260816567 /nfs/dbraw/zinc/81/65/67/1260816567.db2.gz KAGWAEZBFDSAJB-OFLPRAFFSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)CC1 ZINC001000154615 1261116534 /nfs/dbraw/zinc/11/65/34/1261116534.db2.gz OBRNFESRPQQHKE-MJGOQNOKSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803587 1261846695 /nfs/dbraw/zinc/84/66/95/1261846695.db2.gz FVWNOZYTAOFRMU-GBESFXJTSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC001078626169 1262074025 /nfs/dbraw/zinc/07/40/25/1262074025.db2.gz LWQJOTHUDMVBLS-SJORKVTESA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001001405809 1262182064 /nfs/dbraw/zinc/18/20/64/1262182064.db2.gz USFCTVWMKPGOOP-OALUTQOASA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078747657 1262297152 /nfs/dbraw/zinc/29/71/52/1262297152.db2.gz SWLXRRGBNSUSPH-OALUTQOASA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768056 1262301242 /nfs/dbraw/zinc/30/12/42/1262301242.db2.gz MKBYSLDQYSGXLS-MSOLQXFVSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486220498 1262823745 /nfs/dbraw/zinc/82/37/45/1262823745.db2.gz LWDPURCLHBMXLM-QAPCUYQASA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@H]1C ZINC001082521322 1263204640 /nfs/dbraw/zinc/20/46/40/1263204640.db2.gz AVTUHKBCVYTSJA-VHDGCEQUSA-N 2 0 338.883 2.586 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002825172 1264127879 /nfs/dbraw/zinc/12/78/79/1264127879.db2.gz WCBSQJIARMHJEE-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084769219 1264367777 /nfs/dbraw/zinc/36/77/77/1264367777.db2.gz ZXEBFDVQSTYETF-YFVAEKQCSA-N 2 0 341.499 2.572 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853434 1264540318 /nfs/dbraw/zinc/54/03/18/1264540318.db2.gz PVHBOOOGANGRCH-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853428 1264540441 /nfs/dbraw/zinc/54/04/41/1264540441.db2.gz PHNLAEFUPWKKQY-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941235 1264716568 /nfs/dbraw/zinc/71/65/68/1264716568.db2.gz WMFFREVVGYZGCG-GGPKGHCWSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003372859 1264721041 /nfs/dbraw/zinc/72/10/41/1264721041.db2.gz MNFAVENEHDFWCA-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957736 1264763858 /nfs/dbraw/zinc/76/38/58/1264763858.db2.gz TZGWZZOYQLXPGL-AABGKKOBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084958154 1264764313 /nfs/dbraw/zinc/76/43/13/1264764313.db2.gz NUYRMOKUAHMTML-QRQLOZEOSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014132 1264925688 /nfs/dbraw/zinc/92/56/88/1264925688.db2.gz FSEHVCOPHPHEOK-QYZOEREBSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014241 1264926399 /nfs/dbraw/zinc/92/63/99/1264926399.db2.gz NUVBPZZLQKUSTL-AABGKKOBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001085014544 1264927764 /nfs/dbraw/zinc/92/77/64/1264927764.db2.gz LSFALCANLDLCBI-HOJAQTOUSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]21 ZINC001085049764 1265030013 /nfs/dbraw/zinc/03/00/13/1265030013.db2.gz XVWHNLIYKKSTGA-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101229 1265143576 /nfs/dbraw/zinc/14/35/76/1265143576.db2.gz PYHDDDSLXXIYMM-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001085101146 1265143640 /nfs/dbraw/zinc/14/36/40/1265143640.db2.gz XBODFMUEKLQGSK-QRVBRYPASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CC[NH+](C)CC1 ZINC001273038510 1266516362 /nfs/dbraw/zinc/51/63/62/1266516362.db2.gz DLYFFEOIXXGYOY-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039719 1266552943 /nfs/dbraw/zinc/55/29/43/1266552943.db2.gz TZFLKPPJFWXABB-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199348 1266781211 /nfs/dbraw/zinc/78/12/11/1266781211.db2.gz HMNYPEBRJHAIDQ-QXAKKESOSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2nccn21 ZINC001085224964 1266861608 /nfs/dbraw/zinc/86/16/08/1266861608.db2.gz CCMUOTYWCASMOT-KFWWJZLASA-N 2 0 336.867 2.530 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004456781 1267085922 /nfs/dbraw/zinc/08/59/22/1267085922.db2.gz HYTJPQKFMRFVAJ-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001004457670 1267088148 /nfs/dbraw/zinc/08/81/48/1267088148.db2.gz JSNMIBBZWUOZIB-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004460530 1267099849 /nfs/dbraw/zinc/09/98/49/1267099849.db2.gz ZUDDLZZVYYIJOA-MOPGFXCFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004460538 1267100180 /nfs/dbraw/zinc/10/01/80/1267100180.db2.gz ZUDDLZZVYYIJOA-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085307283 1267107356 /nfs/dbraw/zinc/10/73/56/1267107356.db2.gz POURHHTXYCSELX-QRVBRYPASA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001085332328 1267180583 /nfs/dbraw/zinc/18/05/83/1267180583.db2.gz SXBXIIIMRMQZNQ-MDZRGWNJSA-N 2 0 339.499 2.792 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001004501181 1267186095 /nfs/dbraw/zinc/18/60/95/1267186095.db2.gz YIDFKTGPVXVARL-UXHICEINSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001004504035 1267191517 /nfs/dbraw/zinc/19/15/17/1267191517.db2.gz ALIRFFUMLNLHMJ-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523331 1267216408 /nfs/dbraw/zinc/21/64/08/1267216408.db2.gz OYBOGNCXFMJOAD-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623860 1267218388 /nfs/dbraw/zinc/21/83/88/1267218388.db2.gz RJPCAPVDZDULIL-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946623777 1267218421 /nfs/dbraw/zinc/21/84/21/1267218421.db2.gz QTWSGHVGZAQFJN-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004539896 1267281297 /nfs/dbraw/zinc/28/12/97/1267281297.db2.gz IIAMPKKZBMCNRL-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004565984 1267299774 /nfs/dbraw/zinc/29/97/74/1267299774.db2.gz BFTQLAVURMGWER-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004571943 1267308956 /nfs/dbraw/zinc/30/89/56/1267308956.db2.gz XPHMVIWPKKPAPX-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004584857 1267339416 /nfs/dbraw/zinc/33/94/16/1267339416.db2.gz BGQKSYKFBSJRDY-IBGZPJMESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001004585545 1267340392 /nfs/dbraw/zinc/34/03/92/1267340392.db2.gz GSSVVQSOVFIUNB-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004617966 1267412123 /nfs/dbraw/zinc/41/21/23/1267412123.db2.gz UYTJJAJLVBXEIB-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619025 1267413208 /nfs/dbraw/zinc/41/32/08/1267413208.db2.gz JKQDJMFPMNEGTP-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004618522 1267413435 /nfs/dbraw/zinc/41/34/35/1267413435.db2.gz FRSTVPVHXMFRND-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001004619029 1267413848 /nfs/dbraw/zinc/41/38/48/1267413848.db2.gz JKQDJMFPMNEGTP-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642965 1267450026 /nfs/dbraw/zinc/45/00/26/1267450026.db2.gz XOPFVGLNYUEVSC-YRPNKDGESA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151611 1267452472 /nfs/dbraw/zinc/45/24/72/1267452472.db2.gz KHHHNVIVYBPUCG-JKSUJKDBSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC3(C)CC[NH+](C)CC3)CC2)C1=O ZINC001273101406 1267678157 /nfs/dbraw/zinc/67/81/57/1267678157.db2.gz UJLCTZYIPBPEHX-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186890528 1267872072 /nfs/dbraw/zinc/87/20/72/1267872072.db2.gz VRJBCLLMPHQVTM-LJQANCHMSA-N 2 0 340.471 2.855 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742838 1267936487 /nfs/dbraw/zinc/93/64/87/1267936487.db2.gz JJSZEKMNNJJFRU-CALCHBBNSA-N 2 0 345.487 2.701 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598103 1267962046 /nfs/dbraw/zinc/96/20/46/1267962046.db2.gz MYRMGIHPDIUOFA-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742459 1268393554 /nfs/dbraw/zinc/39/35/54/1268393554.db2.gz QUJIPWIHZIHFKI-GOSISDBHSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297379 1268686490 /nfs/dbraw/zinc/68/64/90/1268686490.db2.gz MLRLWPRRVOSJEL-IBGZPJMESA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818398 1268862624 /nfs/dbraw/zinc/86/26/24/1268862624.db2.gz JOSOSPIUWNCRSV-WCIQWLHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819211 1268868375 /nfs/dbraw/zinc/86/83/75/1268868375.db2.gz WTQJQDHBSXYVJS-YRPNKDGESA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875439 1268897768 /nfs/dbraw/zinc/89/77/68/1268897768.db2.gz ALYWQKCNTVUBFV-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366665 1268951117 /nfs/dbraw/zinc/95/11/17/1268951117.db2.gz YACBTTNCXZWWJR-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001006279864 1269644234 /nfs/dbraw/zinc/64/42/34/1269644234.db2.gz UKLVWVNTKGUEHH-IBGZPJMESA-N 2 0 333.520 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033888205 1270494497 /nfs/dbraw/zinc/49/44/97/1270494497.db2.gz RGXQOZLLQYOMNK-KRWDZBQOSA-N 2 0 326.444 2.837 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899383 1270525876 /nfs/dbraw/zinc/52/58/76/1270525876.db2.gz YGRXNKWEQZHLGN-GOSISDBHSA-N 2 0 326.444 2.837 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033930765 1270595109 /nfs/dbraw/zinc/59/51/09/1270595109.db2.gz AIVUPIIPUNJCAP-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001006292905 1270727738 /nfs/dbraw/zinc/72/77/38/1270727738.db2.gz VREXKOWSZVMWOS-IEBWSBKVSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034047086 1270958267 /nfs/dbraw/zinc/95/82/67/1270958267.db2.gz YMHXVSHCWLHFOR-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210743 1271364348 /nfs/dbraw/zinc/36/43/48/1271364348.db2.gz JIYSHOITGAKHQO-MOPGFXCFSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285132 1271534194 /nfs/dbraw/zinc/53/41/94/1271534194.db2.gz PMBUZHBKWHHZGJ-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366649 1271786857 /nfs/dbraw/zinc/78/68/57/1271786857.db2.gz BZMZLGQBEOUSCP-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034406211 1271866967 /nfs/dbraw/zinc/86/69/67/1271866967.db2.gz YILHSFUYFCJOJO-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398662 1271894633 /nfs/dbraw/zinc/89/46/33/1271894633.db2.gz PDMMCMSZCZNVNQ-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398660 1271894840 /nfs/dbraw/zinc/89/48/40/1271894840.db2.gz PDMMCMSZCZNVNQ-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398657 1271895439 /nfs/dbraw/zinc/89/54/39/1271895439.db2.gz PDMMCMSZCZNVNQ-APWZRJJASA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478888 1272078188 /nfs/dbraw/zinc/07/81/88/1272078188.db2.gz PRRZZFDDIXQQAG-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001034698840 1272654145 /nfs/dbraw/zinc/65/41/45/1272654145.db2.gz XELJZFDKMIJSHP-ULQDDVLXSA-N 2 0 339.911 2.630 20 30 EFEDRP COC(=O)[C@](C)(N)Cc1cn(-c2ccnc(CC#N)c2)c2ccccc12 ZINC001169117232 1272671181 /nfs/dbraw/zinc/67/11/81/1272671181.db2.gz SOBHOVUOSHXSSA-HXUWFJFHSA-N 2 0 348.406 2.524 20 30 EFEDRP COC(=O)[C@@](C)(N)Cc1cn(-c2ccnc(CC#N)c2)c2ccccc12 ZINC001169117231 1272671243 /nfs/dbraw/zinc/67/12/43/1272671243.db2.gz SOBHOVUOSHXSSA-FQEVSTJZSA-N 2 0 348.406 2.524 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169125929 1272681628 /nfs/dbraw/zinc/68/16/28/1272681628.db2.gz NXIPIUMYHFEOTJ-DOADOZAASA-N 2 0 347.503 2.722 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001034795818 1272979878 /nfs/dbraw/zinc/97/98/78/1272979878.db2.gz UKMNKXYYUDRFEI-IYARVYRRSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001108711269 1273407093 /nfs/dbraw/zinc/40/70/93/1273407093.db2.gz CBZKQISTABSEOH-FHWLQOOXSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1occc1C[NH+](C)C)C2 ZINC001108749737 1273445857 /nfs/dbraw/zinc/44/58/57/1273445857.db2.gz JWGQKWDSFRLEDT-JQHSSLGASA-N 2 0 345.487 2.890 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108828568 1273520294 /nfs/dbraw/zinc/52/02/94/1273520294.db2.gz SXEQCBOQJCDODY-BBWFWOEESA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830829 1273521685 /nfs/dbraw/zinc/52/16/85/1273521685.db2.gz YLJSANCUXHBQEH-IHPCNDPISA-N 2 0 341.499 2.907 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCC1)C2 ZINC001108827968 1273537476 /nfs/dbraw/zinc/53/74/76/1273537476.db2.gz CRYPQWXPLDABDK-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184403 1273750425 /nfs/dbraw/zinc/75/04/25/1273750425.db2.gz JPEGALGBACNQMY-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035184274 1273751176 /nfs/dbraw/zinc/75/11/76/1273751176.db2.gz GAVDZTZHVDPNRP-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184459 1273751756 /nfs/dbraw/zinc/75/17/56/1273751756.db2.gz KYFDYYGJHAGHRI-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035199033 1273766503 /nfs/dbraw/zinc/76/65/03/1273766503.db2.gz ZSGPQJOJWRYTME-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202739 1273776488 /nfs/dbraw/zinc/77/64/88/1273776488.db2.gz XSGJGSLNYPIJMI-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035188323 1273795145 /nfs/dbraw/zinc/79/51/45/1273795145.db2.gz ZXWUCAHEVDAVLD-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1sccc1C[NH+](C)C)CC2 ZINC001035189630 1273800057 /nfs/dbraw/zinc/80/00/57/1273800057.db2.gz IIHZDHVYLLCAFZ-UHFFFAOYSA-N 2 0 347.528 2.924 20 30 EFEDRP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193621 1273814851 /nfs/dbraw/zinc/81/48/51/1273814851.db2.gz JJMMDSZJRKELCI-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035216353 1273876706 /nfs/dbraw/zinc/87/67/06/1273876706.db2.gz ZDFOHKWNOQFYGZ-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[NH+]31)CC2 ZINC001035237017 1273897822 /nfs/dbraw/zinc/89/78/22/1273897822.db2.gz ICZBVXBCWMGFBO-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035243583 1273912350 /nfs/dbraw/zinc/91/23/50/1273912350.db2.gz AKMCMYKLROEFSA-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035247455 1273923194 /nfs/dbraw/zinc/92/31/94/1273923194.db2.gz WIQBGINYXQCXDX-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035706439 1274386240 /nfs/dbraw/zinc/38/62/40/1274386240.db2.gz LLZPDGNZTWFUQP-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001109555412 1274424175 /nfs/dbraw/zinc/42/41/75/1274424175.db2.gz POMRYKUGXWSRQW-XWSJACJDSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035778625 1274507966 /nfs/dbraw/zinc/50/79/66/1274507966.db2.gz JHQUMPUBYXFADH-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826179 1274522366 /nfs/dbraw/zinc/52/23/66/1274522366.db2.gz KTMVMIFHRIYXSM-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814580 1274548618 /nfs/dbraw/zinc/54/86/18/1274548618.db2.gz PIGORXYKVQULMJ-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719686 1274572531 /nfs/dbraw/zinc/57/25/31/1274572531.db2.gz KWFPKCHBNDIVSA-MHORFTMASA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@](C)(c1ccccc1)[NH+](C)C)CC2 ZINC001035836611 1274572946 /nfs/dbraw/zinc/57/29/46/1274572946.db2.gz BDLXENUBJDIBTI-HXUWFJFHSA-N 2 0 341.499 2.574 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035856095 1274602151 /nfs/dbraw/zinc/60/21/51/1274602151.db2.gz HRWFKOLNJHPLNM-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035858184 1274609051 /nfs/dbraw/zinc/60/90/51/1274609051.db2.gz PQGSLYPZTOWONJ-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001109798831 1274646333 /nfs/dbraw/zinc/64/63/33/1274646333.db2.gz UZDJDXUWZOTDEX-XWSJACJDSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001036113272 1275065311 /nfs/dbraw/zinc/06/53/11/1275065311.db2.gz PSTDFKREGCDVBD-BLLLJJGKSA-N 2 0 332.835 2.527 20 30 EFEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547761 1275114280 /nfs/dbraw/zinc/11/42/80/1275114280.db2.gz OBEKYAQGYHTEIQ-ZVDOUQERSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001036196588 1275208791 /nfs/dbraw/zinc/20/87/91/1275208791.db2.gz UNYQYIOFNKSLKO-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001036216753 1275284329 /nfs/dbraw/zinc/28/43/29/1275284329.db2.gz DYUAPZQYCYGEBO-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001036216751 1275284551 /nfs/dbraw/zinc/28/45/51/1275284551.db2.gz DYUAPZQYCYGEBO-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001036219501 1275287855 /nfs/dbraw/zinc/28/78/55/1275287855.db2.gz PYXDTHZAOOWDAU-KSSFIOAISA-N 2 0 349.906 2.941 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001112585751 1275309471 /nfs/dbraw/zinc/30/94/71/1275309471.db2.gz PGRHDNDSAJHXBL-ZVDOUQERSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001036256715 1275309544 /nfs/dbraw/zinc/30/95/44/1275309544.db2.gz NCIVVQJVOUOYST-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001036256714 1275309890 /nfs/dbraw/zinc/30/98/90/1275309890.db2.gz NCIVVQJVOUOYST-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001036302080 1275382998 /nfs/dbraw/zinc/38/29/98/1275382998.db2.gz HUJJMBNMHBDPOC-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000746674670 1275750284 /nfs/dbraw/zinc/75/02/84/1275750284.db2.gz IFYNXGJVKJUPAU-LJQANCHMSA-N 2 0 331.460 2.522 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855184 1276110346 /nfs/dbraw/zinc/11/03/46/1276110346.db2.gz NIBRRCJCRRDTML-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001273147100 1276340353 /nfs/dbraw/zinc/34/03/53/1276340353.db2.gz WBJYUMOIEGUIAM-UHFFFAOYSA-N 2 0 331.504 2.505 20 30 EFEDRP CCCCCCC[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001113010882 1276486777 /nfs/dbraw/zinc/48/67/77/1276486777.db2.gz QJUWUCCXJCWTSL-UHFFFAOYSA-N 2 0 335.536 2.977 20 30 EFEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818962123 1276551574 /nfs/dbraw/zinc/55/15/74/1276551574.db2.gz YVIPWGWLCVZANM-FUHIMQAGSA-N 2 0 329.488 2.939 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001005871152 1276555740 /nfs/dbraw/zinc/55/57/40/1276555740.db2.gz KXWOIQXRTHECPS-SFHVURJKSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873083 1276562218 /nfs/dbraw/zinc/56/22/18/1276562218.db2.gz JGPWFBJDKFGWKF-IBGZPJMESA-N 2 0 333.520 2.892 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016482 1276590861 /nfs/dbraw/zinc/59/08/61/1276590861.db2.gz ZQZOHYQIBHGWND-UNMCSNQZSA-N 2 0 349.478 2.746 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174904579 1287243640 /nfs/dbraw/zinc/24/36/40/1287243640.db2.gz COMSHKTZWVPRCX-JYJNAYRXSA-N 2 0 329.916 2.734 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859672 1276790778 /nfs/dbraw/zinc/79/07/78/1276790778.db2.gz ZUKKTVORAZPVOT-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086829977 1276897772 /nfs/dbraw/zinc/89/77/72/1276897772.db2.gz YYWQRKFDDJWAIK-FUHWJXTLSA-N 2 0 349.906 2.989 20 30 EFEDRP C[N@@H+]1CCCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170367102 1279041976 /nfs/dbraw/zinc/04/19/76/1279041976.db2.gz FPVSDNGXCXIUSB-UHFFFAOYSA-N 2 0 340.515 2.618 20 30 EFEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086587787 1277638583 /nfs/dbraw/zinc/63/85/83/1277638583.db2.gz NEUMYSXBHIZTSH-ZCNNSNEGSA-N 2 0 341.499 2.629 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001113432291 1277831730 /nfs/dbraw/zinc/83/17/30/1277831730.db2.gz WYFMDUMEZGFYFB-QGZVFWFLSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001086595518 1277975587 /nfs/dbraw/zinc/97/55/87/1277975587.db2.gz GSOFAZQKMQWKCV-ZCNNSNEGSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001086595517 1277975703 /nfs/dbraw/zinc/97/57/03/1277975703.db2.gz GSOFAZQKMQWKCV-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC001113529026 1278011358 /nfs/dbraw/zinc/01/13/58/1278011358.db2.gz ATCDJAPGLRUHJW-LJQANCHMSA-N 2 0 329.488 2.790 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001113536650 1278018182 /nfs/dbraw/zinc/01/81/82/1278018182.db2.gz YECAOLAAIPVLFW-OALUTQOASA-N 2 0 335.536 2.997 20 30 EFEDRP C[NH+](C)CCN(CC[NH+](C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387626 1279061485 /nfs/dbraw/zinc/06/14/85/1279061485.db2.gz XXJFXLWGYMJPHA-UHFFFAOYSA-N 2 0 342.531 2.816 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175272700 1287387317 /nfs/dbraw/zinc/38/73/17/1287387317.db2.gz LNNICRJPWSCGFU-HNNXBMFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001114303836 1280173190 /nfs/dbraw/zinc/17/31/90/1280173190.db2.gz FNAZBJVQGWRSCE-NTZUZEMLSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001175389828 1287416811 /nfs/dbraw/zinc/41/68/11/1287416811.db2.gz VLQCKFVABGRYFH-SXLOBPIMSA-N 2 0 343.515 2.782 20 30 EFEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958803 1287419395 /nfs/dbraw/zinc/41/93/95/1287419395.db2.gz GHQXKEKUOKYKEW-HOTGVXAUSA-N 2 0 341.459 2.720 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248983 1280448023 /nfs/dbraw/zinc/44/80/23/1280448023.db2.gz ZRWZQIXDWJRCFW-MJGOQNOKSA-N 2 0 333.520 2.681 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610139 1280950814 /nfs/dbraw/zinc/95/08/14/1280950814.db2.gz HTMXLDDYMIINLP-ZWKOTPCHSA-N 2 0 335.536 2.641 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610112 1280950828 /nfs/dbraw/zinc/95/08/28/1280950828.db2.gz HEOIZFHORZQVFR-MOPGFXCFSA-N 2 0 347.547 2.951 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613700 1280951792 /nfs/dbraw/zinc/95/17/92/1280951792.db2.gz UPBNRSHUSXSBPB-ZWKOTPCHSA-N 2 0 347.547 2.785 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702289 1280982709 /nfs/dbraw/zinc/98/27/09/1280982709.db2.gz UYGJBFOHEBZFNQ-HOTGVXAUSA-N 2 0 329.916 2.878 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146702291 1280982720 /nfs/dbraw/zinc/98/27/20/1280982720.db2.gz UYGJBFOHEBZFNQ-JKSUJKDBSA-N 2 0 329.916 2.878 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541795 1281198996 /nfs/dbraw/zinc/19/89/96/1281198996.db2.gz XJFNLWVVCIUQBJ-ROUUACIJSA-N 2 0 333.520 2.748 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170783761 1287480348 /nfs/dbraw/zinc/48/03/48/1287480348.db2.gz GQBCRQZPYYLVKF-ZWKOTPCHSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672019 1281394055 /nfs/dbraw/zinc/39/40/55/1281394055.db2.gz CVTVVEBXFKKMQW-XLIONFOSSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001148126074 1281431308 /nfs/dbraw/zinc/43/13/08/1281431308.db2.gz SDUOMFREXBLBCO-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161279 1281438578 /nfs/dbraw/zinc/43/85/78/1281438578.db2.gz RHDXYRPSLPTYCY-UHFFFAOYSA-N 2 0 335.536 2.833 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148458347 1281558961 /nfs/dbraw/zinc/55/89/61/1281558961.db2.gz NOBXAEBFGNXIDK-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001148480467 1281569851 /nfs/dbraw/zinc/56/98/51/1281569851.db2.gz DBLBGYMROYQVKY-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611659 1281651512 /nfs/dbraw/zinc/65/15/12/1281651512.db2.gz ICGZPFWCWZAYQM-UHFFFAOYSA-N 2 0 333.520 2.587 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738281 1281686042 /nfs/dbraw/zinc/68/60/42/1281686042.db2.gz SXARSUVMEFMITJ-LMNJBCLMSA-N 2 0 345.531 2.750 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170785803 1287528060 /nfs/dbraw/zinc/52/80/60/1287528060.db2.gz OHGNQOOCVKFTPT-RBUKOAKNSA-N 2 0 347.547 2.929 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927495 1281924530 /nfs/dbraw/zinc/92/45/30/1281924530.db2.gz DKVHQOYJTXLQSO-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086920877 1281929740 /nfs/dbraw/zinc/92/97/40/1281929740.db2.gz AROSFBBVUOONQK-OALUTQOASA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086920878 1281930741 /nfs/dbraw/zinc/93/07/41/1281930741.db2.gz AROSFBBVUOONQK-RBUKOAKNSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086922897 1281933259 /nfs/dbraw/zinc/93/32/59/1281933259.db2.gz CSJSQECVCGGVKC-IEBWSBKVSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942191 1281972256 /nfs/dbraw/zinc/97/22/56/1281972256.db2.gz KVPGGXHAJPQGQI-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101392 1282400165 /nfs/dbraw/zinc/40/01/65/1282400165.db2.gz BCFFQIHYAOSFSW-CTNGQTDRSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135100072 1287596187 /nfs/dbraw/zinc/59/61/87/1287596187.db2.gz ARTGLBOGKDBFIY-IRXDYDNUSA-N 2 0 331.504 2.853 20 30 EFEDRP CSC1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC[NH+](C)CC1 ZINC000810170806 1282965274 /nfs/dbraw/zinc/96/52/74/1282965274.db2.gz SPTNXBBFIGJBEZ-HNNXBMFYSA-N 2 0 333.501 2.894 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132156738 1283060002 /nfs/dbraw/zinc/06/00/02/1283060002.db2.gz IILUEBQAAGBGGA-WBVHZDCISA-N 2 0 326.444 2.883 20 30 EFEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206829 1283157258 /nfs/dbraw/zinc/15/72/58/1283157258.db2.gz OEZVJSNRMIEJEJ-ZWKOTPCHSA-N 2 0 333.520 2.633 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731148 1283291110 /nfs/dbraw/zinc/29/11/10/1283291110.db2.gz OZGOODZRKRRSIE-NVXWUHKLSA-N 2 0 347.528 2.922 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754289 1283419292 /nfs/dbraw/zinc/41/92/92/1283419292.db2.gz DIOPFNDXHCWDCI-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754434 1283421632 /nfs/dbraw/zinc/42/16/32/1283421632.db2.gz FYTSHCFOLVUDGS-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762619 1283477842 /nfs/dbraw/zinc/47/78/42/1283477842.db2.gz LVVSZDMIHDWDGI-DOTOQJQBSA-N 2 0 344.846 2.623 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762620 1283478072 /nfs/dbraw/zinc/47/80/72/1283478072.db2.gz LVVSZDMIHDWDGI-NVXWUHKLSA-N 2 0 344.846 2.623 20 30 EFEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420604 1283516262 /nfs/dbraw/zinc/51/62/62/1283516262.db2.gz VQXVWGSJIYBVQS-RBUKOAKNSA-N 2 0 335.536 2.881 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426462 1283552670 /nfs/dbraw/zinc/55/26/70/1283552670.db2.gz XRVLHMCBPCUJDZ-ROUUACIJSA-N 2 0 341.540 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773780 1283555704 /nfs/dbraw/zinc/55/57/04/1283555704.db2.gz SVIGVVUCPGVWQI-LPHOPBHVSA-N 2 0 338.455 2.837 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176024222 1287661320 /nfs/dbraw/zinc/66/13/20/1287661320.db2.gz NEHXWGIHYIRRKV-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001093361296 1283783498 /nfs/dbraw/zinc/78/34/98/1283783498.db2.gz JVIIEGOWBWLQTB-MOPGFXCFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001093373921 1283819441 /nfs/dbraw/zinc/81/94/41/1283819441.db2.gz UZVRRUORKWJNBN-RBUKOAKNSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001093377050 1283828785 /nfs/dbraw/zinc/82/87/85/1283828785.db2.gz FQBGYIZHZIBYIL-MOPGFXCFSA-N 2 0 347.547 2.852 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093378987 1283835244 /nfs/dbraw/zinc/83/52/44/1283835244.db2.gz XJOBZMMMFKHGED-ZWKOTPCHSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001093379490 1283839479 /nfs/dbraw/zinc/83/94/79/1283839479.db2.gz AMFANZCPEAUADU-OALUTQOASA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001093382961 1283853499 /nfs/dbraw/zinc/85/34/99/1283853499.db2.gz GSDUEMLICBKITE-FQEVSTJZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@@H]21 ZINC001036821332 1284061632 /nfs/dbraw/zinc/06/16/32/1284061632.db2.gz YIEFNQXLFZJQQD-UXHICEINSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3C(C)C)CC[C@H]21 ZINC001036835066 1284148183 /nfs/dbraw/zinc/14/81/83/1284148183.db2.gz UDFMGQZUJYFGGP-ZWKOTPCHSA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836511 1284154915 /nfs/dbraw/zinc/15/49/15/1284154915.db2.gz RPOMQROQWGIIIN-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841626 1284239272 /nfs/dbraw/zinc/23/92/72/1284239272.db2.gz AVSKIRFOAJDVNO-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]21 ZINC001036842183 1284240886 /nfs/dbraw/zinc/24/08/86/1284240886.db2.gz LJEAMIXLLKDJGH-PMACEKPBSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854185 1284330476 /nfs/dbraw/zinc/33/04/76/1284330476.db2.gz HNQUTXORERSIAI-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132869524 1284403827 /nfs/dbraw/zinc/40/38/27/1284403827.db2.gz JVLZTNGFRWFDEA-GOEBONIOSA-N 2 0 335.517 2.684 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866919 1284439942 /nfs/dbraw/zinc/43/99/42/1284439942.db2.gz MKQRXRBULYLWAF-PMACEKPBSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866922 1284440013 /nfs/dbraw/zinc/44/00/13/1284440013.db2.gz MKQRXRBULYLWAF-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036867464 1284441517 /nfs/dbraw/zinc/44/15/17/1284441517.db2.gz VPLNLMONNDZTTJ-UXHICEINSA-N 2 0 345.531 2.607 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001176112649 1287713452 /nfs/dbraw/zinc/71/34/52/1287713452.db2.gz XPDGAUXGUFSFCR-WIYYLYMNSA-N 2 0 343.515 2.751 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001176112763 1287714443 /nfs/dbraw/zinc/71/44/43/1287714443.db2.gz ZHZSVNOFQCGMJM-MOPGFXCFSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132932332 1284484673 /nfs/dbraw/zinc/48/46/73/1284484673.db2.gz ILMGWWOLIZGYJO-MSOLQXFVSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132937044 1284488635 /nfs/dbraw/zinc/48/86/35/1284488635.db2.gz FWURJJMDNFAFCC-ZBFHGGJFSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132942213 1284499367 /nfs/dbraw/zinc/49/93/67/1284499367.db2.gz YILKODKXYXJXFS-SJORKVTESA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132949651 1284508661 /nfs/dbraw/zinc/50/86/61/1284508661.db2.gz FJEYATPPHAHPEL-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001176120256 1287718369 /nfs/dbraw/zinc/71/83/69/1287718369.db2.gz MBKXWYVHOGLPOH-ICSRJNTNSA-N 2 0 343.515 2.967 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973060 1284532672 /nfs/dbraw/zinc/53/26/72/1284532672.db2.gz HUTDUZRNZWYCJI-XJKSGUPXSA-N 2 0 346.862 2.775 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953549 1284535247 /nfs/dbraw/zinc/53/52/47/1284535247.db2.gz GIAVDMMTXDVZLY-DOTOQJQBSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133017048 1284626759 /nfs/dbraw/zinc/62/67/59/1284626759.db2.gz SMPUZGKUKMUZSR-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001133031767 1284686425 /nfs/dbraw/zinc/68/64/25/1284686425.db2.gz SUTOGJZTYIABLS-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091760 1284780291 /nfs/dbraw/zinc/78/02/91/1284780291.db2.gz VIXXUNHSBLKJCB-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153922 1284789569 /nfs/dbraw/zinc/78/95/69/1284789569.db2.gz SBKDWOWRDUWZOQ-YRXWBPOGSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@H]1C ZINC001133116917 1284821830 /nfs/dbraw/zinc/82/18/30/1284821830.db2.gz CWCIGTDNYQBVLP-YLJYHZDGSA-N 2 0 343.515 2.665 20 30 EFEDRP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176164302 1287741731 /nfs/dbraw/zinc/74/17/31/1287741731.db2.gz AAEVEZBQBQTRLI-SFHVURJKSA-N 2 0 343.556 2.800 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133154838 1284883656 /nfs/dbraw/zinc/88/36/56/1284883656.db2.gz HBAROCWJFICTLA-YOEHRIQHSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001133165686 1284922430 /nfs/dbraw/zinc/92/24/30/1284922430.db2.gz LBYRWSZVCZEQMX-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213348 1285001374 /nfs/dbraw/zinc/00/13/74/1285001374.db2.gz LQBKDGRQTOSSED-PKOBYXMFSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133246278 1285047855 /nfs/dbraw/zinc/04/78/55/1285047855.db2.gz TUKIIMNRMURLDQ-MOPGFXCFSA-N 2 0 335.536 2.596 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001133250085 1285054608 /nfs/dbraw/zinc/05/46/08/1285054608.db2.gz PNYYLGBEWBZNQA-PXNSSMCTSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133250087 1285055008 /nfs/dbraw/zinc/05/50/08/1285055008.db2.gz PNYYLGBEWBZNQA-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094461330 1285137811 /nfs/dbraw/zinc/13/78/11/1285137811.db2.gz SZNVVCHLGHCGPB-UYAOXDASSA-N 2 0 338.455 2.885 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133338037 1285216495 /nfs/dbraw/zinc/21/64/95/1285216495.db2.gz SBYIIUKVOGVLKK-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001133338038 1285216810 /nfs/dbraw/zinc/21/68/10/1285216810.db2.gz SBYIIUKVOGVLKK-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001133355164 1285250311 /nfs/dbraw/zinc/25/03/11/1285250311.db2.gz VVLWFBFQONAEQF-SJORKVTESA-N 2 0 347.503 2.995 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)[NH+](C)C ZINC001133405674 1285360118 /nfs/dbraw/zinc/36/01/18/1285360118.db2.gz KUHMADDCRQHSEK-SFHVURJKSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001133410443 1285371321 /nfs/dbraw/zinc/37/13/21/1285371321.db2.gz GFNRROAMTRWDNV-UHFFFAOYSA-N 2 0 349.906 2.930 20 30 EFEDRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001171500244 1285608097 /nfs/dbraw/zinc/60/80/97/1285608097.db2.gz JLAWGLZBXSDUHT-UYAOXDASSA-N 2 0 343.515 2.643 20 30 EFEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001171576448 1285656544 /nfs/dbraw/zinc/65/65/44/1285656544.db2.gz YYLXBTGNVMNAHF-UHFFFAOYSA-N 2 0 349.906 2.519 20 30 EFEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001171726255 1285744282 /nfs/dbraw/zinc/74/42/82/1285744282.db2.gz ZBJOPVHYMUUZJB-UHFFFAOYSA-N 2 0 349.906 2.519 20 30 EFEDRP CC[C@@H](C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](CC)CC ZINC001133685529 1285779573 /nfs/dbraw/zinc/77/95/73/1285779573.db2.gz VIIGKIXZFSTCKN-SFHVURJKSA-N 2 0 349.906 2.518 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001171918186 1285903111 /nfs/dbraw/zinc/90/31/11/1285903111.db2.gz MCYIUZRWYHLZEP-WBVHZDCISA-N 2 0 341.927 2.878 20 30 EFEDRP CCCCCCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856818 1286032820 /nfs/dbraw/zinc/03/28/20/1286032820.db2.gz RUXHCYUPTLNUNC-GOSISDBHSA-N 2 0 329.504 2.875 20 30 EFEDRP COCCC[NH+]1CCC(n2cc(CC[NH3+])c3cc(C#N)ccc32)CC1 ZINC001172247082 1286079589 /nfs/dbraw/zinc/07/95/89/1286079589.db2.gz CMSNHEJJPNQDFT-UHFFFAOYSA-N 2 0 340.471 2.688 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001172319735 1286098262 /nfs/dbraw/zinc/09/82/62/1286098262.db2.gz QSXKEGKZCBKUEF-SFHVURJKSA-N 2 0 330.520 2.695 20 30 EFEDRP C#CCC[NH2+]CCCCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179134145 1289052442 /nfs/dbraw/zinc/05/24/42/1289052442.db2.gz GQCPJCJCFPLHLE-UHFFFAOYSA-N 2 0 335.536 2.931 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172481587 1286144293 /nfs/dbraw/zinc/14/42/93/1286144293.db2.gz TYKKEFIBVPTPNH-FQEVSTJZSA-N 2 0 337.552 2.729 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001094999530 1286397689 /nfs/dbraw/zinc/39/76/89/1286397689.db2.gz HSODJZBSMGZIDB-SXLOBPIMSA-N 2 0 341.499 2.559 20 30 EFEDRP CCOC(=O)C1(C#N)CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173113438 1286415103 /nfs/dbraw/zinc/41/51/03/1286415103.db2.gz QFWDJRUZJLNCPA-UHFFFAOYSA-N 2 0 335.492 2.808 20 30 EFEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001173318803 1286538496 /nfs/dbraw/zinc/53/84/96/1286538496.db2.gz MPGDFSCNXXGKIF-UHFFFAOYSA-N 2 0 329.488 2.931 20 30 EFEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783671 1287185181 /nfs/dbraw/zinc/18/51/81/1287185181.db2.gz ODFMNMTWXUZHSZ-SJORKVTESA-N 2 0 332.492 2.747 20 30 EFEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783713 1287186003 /nfs/dbraw/zinc/18/60/03/1287186003.db2.gz OPSVEZNXZPQHRU-IAGOWNOFSA-N 2 0 332.492 2.747 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134787461 1287189806 /nfs/dbraw/zinc/18/98/06/1287189806.db2.gz KZOYQKMXMIFSED-GJZGRUSLSA-N 2 0 338.883 2.533 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179378824 1289131601 /nfs/dbraw/zinc/13/16/01/1289131601.db2.gz RDXZYIOUEQDXNP-HOTGVXAUSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176278896 1287921161 /nfs/dbraw/zinc/92/11/61/1287921161.db2.gz JUGUYSRLDYQEAB-CQSZACIVSA-N 2 0 348.329 2.501 20 30 EFEDRP C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001135373896 1287980167 /nfs/dbraw/zinc/98/01/67/1287980167.db2.gz ZJLLTFGCDDNFTC-JKSUJKDBSA-N 2 0 349.906 2.516 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC)CC1 ZINC001176737079 1288087374 /nfs/dbraw/zinc/08/73/74/1288087374.db2.gz HGPGDJDNPUBISL-QZTJIDSGSA-N 2 0 335.536 2.642 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736844 1288088135 /nfs/dbraw/zinc/08/81/35/1288088135.db2.gz FTEFEFPWTUPMOU-QGZVFWFLSA-N 2 0 329.488 2.650 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCC=C)CC1 ZINC001176738224 1288088946 /nfs/dbraw/zinc/08/89/46/1288088946.db2.gz PTSPGZSBPKDJLG-GOSISDBHSA-N 2 0 333.520 2.562 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001176738346 1288089259 /nfs/dbraw/zinc/08/92/59/1288089259.db2.gz QTAOSQSXSXNUKJ-OALUTQOASA-N 2 0 347.547 2.951 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176753948 1288120267 /nfs/dbraw/zinc/12/02/67/1288120267.db2.gz OQOUDXHBWRIYRL-QGZVFWFLSA-N 2 0 344.503 2.663 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176754348 1288120588 /nfs/dbraw/zinc/12/05/88/1288120588.db2.gz TWIVMLPUCKFAGE-QGZVFWFLSA-N 2 0 344.503 2.663 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176754188 1288120743 /nfs/dbraw/zinc/12/07/43/1288120743.db2.gz SSAMROJRJKMLFB-KRWDZBQOSA-N 2 0 344.503 2.663 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001176926186 1288175933 /nfs/dbraw/zinc/17/59/33/1288175933.db2.gz IJQLEZDTNFNCQR-UHFFFAOYSA-N 2 0 347.547 2.644 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317177 1288385454 /nfs/dbraw/zinc/38/54/54/1288385454.db2.gz PHTVGJFKTYMHNL-FQEVSTJZSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001177323868 1288389853 /nfs/dbraw/zinc/38/98/53/1288389853.db2.gz JJXQXMZAKFARKP-VQTJNVASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001177415700 1288423325 /nfs/dbraw/zinc/42/33/25/1288423325.db2.gz IQNSKJNEOWLBTJ-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001177416017 1288424563 /nfs/dbraw/zinc/42/45/63/1288424563.db2.gz REORCMBZRCVVSO-GOSISDBHSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001177416250 1288424843 /nfs/dbraw/zinc/42/48/43/1288424843.db2.gz XMMBDUDNESPUNS-PKOBYXMFSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001177462957 1288429404 /nfs/dbraw/zinc/42/94/04/1288429404.db2.gz HNRSKKIOTBMZBF-UXHICEINSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001177467262 1288431826 /nfs/dbraw/zinc/43/18/26/1288431826.db2.gz YPVDFNVOXHESLD-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001177437066 1288440580 /nfs/dbraw/zinc/44/05/80/1288440580.db2.gz LKUDJGXNDSUNDP-KRWDZBQOSA-N 2 0 344.503 2.610 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165736114 1312672556 /nfs/dbraw/zinc/67/25/56/1312672556.db2.gz HRVLZOQUKKYMHE-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001178722677 1288867819 /nfs/dbraw/zinc/86/78/19/1288867819.db2.gz NAAWNLNIFUMYOD-SFHVURJKSA-N 2 0 347.528 2.612 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001178947420 1288995739 /nfs/dbraw/zinc/99/57/39/1288995739.db2.gz WVGZLZFPLUJRPC-UHFFFAOYSA-N 2 0 334.851 2.967 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539339 1289183616 /nfs/dbraw/zinc/18/36/16/1289183616.db2.gz VKKVCJFMOJNULK-BXWFABGCSA-N 2 0 339.499 2.744 20 30 EFEDRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179846793 1289284822 /nfs/dbraw/zinc/28/48/22/1289284822.db2.gz WJWFWWVNPIJFMC-UHFFFAOYSA-N 2 0 343.515 2.646 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988436 1289353322 /nfs/dbraw/zinc/35/33/22/1289353322.db2.gz HDRWRGQPAKWLGT-UHFFFAOYSA-N 2 0 348.329 2.503 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926777 1312705648 /nfs/dbraw/zinc/70/56/48/1312705648.db2.gz CLFKBQQWGIKHIF-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180121381 1289424693 /nfs/dbraw/zinc/42/46/93/1289424693.db2.gz NDXWRHIFQJQNLA-UHFFFAOYSA-N 2 0 348.329 2.503 20 30 EFEDRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001180121426 1289424863 /nfs/dbraw/zinc/42/48/63/1289424863.db2.gz OKSIEPSZSFGLIY-UHFFFAOYSA-N 2 0 344.503 2.666 20 30 EFEDRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180123277 1289426304 /nfs/dbraw/zinc/42/63/04/1289426304.db2.gz FBJAWPJPZLMFJV-UHFFFAOYSA-N 2 0 343.515 2.646 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+][C@H](C)CCC=C)CC1 ZINC001180360623 1289494603 /nfs/dbraw/zinc/49/46/03/1289494603.db2.gz KOGGERGGIMEUOB-LJQANCHMSA-N 2 0 347.547 2.953 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC=C(C)C)CC1 ZINC001180360859 1289495801 /nfs/dbraw/zinc/49/58/01/1289495801.db2.gz ODTDMFAVMIIRLM-UHFFFAOYSA-N 2 0 333.520 2.564 20 30 EFEDRP C=CCC[NH2+]CCCCCCNC(=O)CN(C)Cc1ccccc1 ZINC001180451554 1289538500 /nfs/dbraw/zinc/53/85/00/1289538500.db2.gz FSMZWWFTNDSNQT-UHFFFAOYSA-N 2 0 331.504 2.961 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290980 1289705769 /nfs/dbraw/zinc/70/57/69/1289705769.db2.gz HMYTYJHCVZQJMP-IEBWSBKVSA-N 2 0 325.456 2.684 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114624018 1289869320 /nfs/dbraw/zinc/86/93/20/1289869320.db2.gz JXVPFFZFZSAALG-RUYXUALKSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720941 1289915634 /nfs/dbraw/zinc/91/56/34/1289915634.db2.gz VBYHMRAYVQAQQD-QWFCFKBJSA-N 2 0 335.536 2.615 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001181884620 1289990325 /nfs/dbraw/zinc/99/03/25/1289990325.db2.gz HOEPXJCAFMGXNU-IEBWSBKVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001182007512 1290057452 /nfs/dbraw/zinc/05/74/52/1290057452.db2.gz RPELIDQNPFRFAE-IEBWSBKVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001182402356 1290181883 /nfs/dbraw/zinc/18/18/83/1290181883.db2.gz VXEYRRPYAUAUGD-DNVCBOLYSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001166380988 1312769354 /nfs/dbraw/zinc/76/93/54/1312769354.db2.gz UVPKGZPIWHKGPW-UHFFFAOYSA-N 2 0 343.515 2.857 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001182896632 1290271622 /nfs/dbraw/zinc/27/16/22/1290271622.db2.gz AZVUOUFRDAWTTG-VQIMIIECSA-N 2 0 332.492 2.622 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001182973190 1290288024 /nfs/dbraw/zinc/28/80/24/1290288024.db2.gz AJVADIULQTXOJR-GDBMZVCRSA-N 2 0 335.517 2.969 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182973311 1290288077 /nfs/dbraw/zinc/28/80/77/1290288077.db2.gz GCIBWCSOBZBTHO-IAGOWNOFSA-N 2 0 329.504 2.827 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403554 1312771918 /nfs/dbraw/zinc/77/19/18/1312771918.db2.gz IYOVJVCTGPGNBN-UHFFFAOYSA-N 2 0 341.927 2.880 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001183138385 1290302889 /nfs/dbraw/zinc/30/28/89/1290302889.db2.gz SPSBQUSAKHKMTG-YFVAEKQCSA-N 2 0 343.515 2.940 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183517114 1290353148 /nfs/dbraw/zinc/35/31/48/1290353148.db2.gz PRNZNKGLYNMPJF-QWFCFKBJSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001183516867 1290354062 /nfs/dbraw/zinc/35/40/62/1290354062.db2.gz BXCZTSNSXZHMOO-SFHLNBCPSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001183497232 1290355991 /nfs/dbraw/zinc/35/59/91/1290355991.db2.gz YLPNOYFEBIDOEZ-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001184714364 1290498195 /nfs/dbraw/zinc/49/81/95/1290498195.db2.gz XYJZRZTWRYNSTM-UKRRQHHQSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184723638 1290503518 /nfs/dbraw/zinc/50/35/18/1290503518.db2.gz JIWNOJUCITYRRK-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001184723639 1290503643 /nfs/dbraw/zinc/50/36/43/1290503643.db2.gz JIWNOJUCITYRRK-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821486 1290530337 /nfs/dbraw/zinc/53/03/37/1290530337.db2.gz KPMKXHPIOQJTIZ-SJORKVTESA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC001184821480 1290530882 /nfs/dbraw/zinc/53/08/82/1290530882.db2.gz KPMKXHPIOQJTIZ-DLBZAZTESA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001184892912 1290538929 /nfs/dbraw/zinc/53/89/29/1290538929.db2.gz SDIQPUVRQFBYDU-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185087347 1290583186 /nfs/dbraw/zinc/58/31/86/1290583186.db2.gz YHMQOBBQXFUFNS-MSOLQXFVSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001185770432 1290759779 /nfs/dbraw/zinc/75/97/79/1290759779.db2.gz HTTDRQCKGWCPMU-IRXDYDNUSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597502 1290994882 /nfs/dbraw/zinc/99/48/82/1290994882.db2.gz INZPBKWOCSWFBC-SFHVURJKSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597501 1290995191 /nfs/dbraw/zinc/99/51/91/1290995191.db2.gz INZPBKWOCSWFBC-GOSISDBHSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001186598147 1290996763 /nfs/dbraw/zinc/99/67/63/1290996763.db2.gz QCHSCNFLAZPJGR-GOSISDBHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776473 1291018543 /nfs/dbraw/zinc/01/85/43/1291018543.db2.gz NXHCDPDIJLCZQU-ZWKOTPCHSA-N 2 0 349.906 2.827 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001187004106 1291080822 /nfs/dbraw/zinc/08/08/22/1291080822.db2.gz IWVRBXCEUAKMQC-QUCCMNQESA-N 2 0 329.488 2.620 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958333 1291273371 /nfs/dbraw/zinc/27/33/71/1291273371.db2.gz QZFYTTWFTFBIOD-FCGDIQPGSA-N 2 0 335.536 2.830 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166801939 1312844230 /nfs/dbraw/zinc/84/42/30/1312844230.db2.gz FQJPNUNAAVACKQ-LJQANCHMSA-N 2 0 345.531 2.683 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166869994 1312857133 /nfs/dbraw/zinc/85/71/33/1312857133.db2.gz PHWUJRDNSXULLM-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP CC(=O)[C@](C#N)(CCN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126206 1291508584 /nfs/dbraw/zinc/50/85/84/1291508584.db2.gz UQGHQNRXAUMOJQ-PZJWPPBQSA-N 2 0 339.483 2.845 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970780 1291531750 /nfs/dbraw/zinc/53/17/50/1291531750.db2.gz KSEUMOLGWLNLNS-ZWKOTPCHSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001114724527 1291557770 /nfs/dbraw/zinc/55/77/70/1291557770.db2.gz OKGGTUOKVLUXSS-ZRNYENFQSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001114728656 1291584894 /nfs/dbraw/zinc/58/48/94/1291584894.db2.gz HXQDKPQBGUJVGA-ZGXWSNOMSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127545 1291590401 /nfs/dbraw/zinc/59/04/01/1291590401.db2.gz XLFNSNHRUSODER-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CCC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)CC1 ZINC001277779791 1312875282 /nfs/dbraw/zinc/87/52/82/1312875282.db2.gz RHVKTVWATDRBCI-GOSISDBHSA-N 2 0 335.536 2.855 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544930 1291738985 /nfs/dbraw/zinc/73/89/85/1291738985.db2.gz BSXKDDCSXMTUBH-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC000957550193 1291747548 /nfs/dbraw/zinc/74/75/48/1291747548.db2.gz NEUJOMRDORPAEJ-UHFFFAOYSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550182 1291747565 /nfs/dbraw/zinc/74/75/65/1291747565.db2.gz MQSXJWXYHYLNGY-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)CC1 ZINC000957556018 1291759309 /nfs/dbraw/zinc/75/93/09/1291759309.db2.gz SWOMZJRANICTQL-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561352 1291768580 /nfs/dbraw/zinc/76/85/80/1291768580.db2.gz MUBXVMQXVFOBAD-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016616189 1312883560 /nfs/dbraw/zinc/88/35/60/1312883560.db2.gz AHFSUCJCIDZMKK-HZPDHXFCSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000957597564 1291842191 /nfs/dbraw/zinc/84/21/91/1291842191.db2.gz UKOSXKLIQBCSLQ-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957598598 1291843939 /nfs/dbraw/zinc/84/39/39/1291843939.db2.gz BEYWTSXCIQNDTQ-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957598978 1291845385 /nfs/dbraw/zinc/84/53/85/1291845385.db2.gz UYDVOBINBIPODU-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189772164 1291851265 /nfs/dbraw/zinc/85/12/65/1291851265.db2.gz XJXHSQFEOPYKAQ-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC000957633729 1291929149 /nfs/dbraw/zinc/92/91/49/1291929149.db2.gz MKEDLWLFJUWEOO-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)CCc3cncn3C)CC2)CC1 ZINC000957639783 1291943298 /nfs/dbraw/zinc/94/32/98/1291943298.db2.gz IQNCKDRXMLZWAU-UHFFFAOYSA-N 2 0 344.503 2.633 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957647341 1291958511 /nfs/dbraw/zinc/95/85/11/1291958511.db2.gz CXPYWSMBVUEOTK-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647300 1291958806 /nfs/dbraw/zinc/95/88/06/1291958806.db2.gz BLAUHYRDJAEANZ-HDICACEKSA-N 2 0 333.520 2.750 20 30 EFEDRP CCC[C@@]1(C)CCCN(C(NCC2([NH+](C)C)CCOCC2)=[NH+]C)C1 ZINC000127503899 1291959355 /nfs/dbraw/zinc/95/93/55/1291959355.db2.gz SBMDNHZPKWJJBW-SFHVURJKSA-N 2 0 338.540 2.575 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016643216 1312897847 /nfs/dbraw/zinc/89/78/47/1312897847.db2.gz OBNMGCVFSMTUEN-MRXNPFEDSA-N 2 0 347.528 2.970 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190176696 1292044556 /nfs/dbraw/zinc/04/45/56/1292044556.db2.gz OOPJZDDDUYRGAM-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475749 1312902922 /nfs/dbraw/zinc/90/29/22/1312902922.db2.gz ARHOODDAGLKMOS-ROUUACIJSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016652515 1312905070 /nfs/dbraw/zinc/90/50/70/1312905070.db2.gz SUQUXACUIBFBQB-CVEARBPZSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016653755 1312905718 /nfs/dbraw/zinc/90/57/18/1312905718.db2.gz BLLHXOHPNRSEEZ-ROUUACIJSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480813 1292178792 /nfs/dbraw/zinc/17/87/92/1292178792.db2.gz MBAZRAZLQYPHMQ-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479051 1312908686 /nfs/dbraw/zinc/90/86/86/1312908686.db2.gz XHONWSADRQKUNU-ZWKOTPCHSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016660820 1312910136 /nfs/dbraw/zinc/91/01/36/1312910136.db2.gz BZTWKVRMJMMANM-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016662540 1312910951 /nfs/dbraw/zinc/91/09/51/1312910951.db2.gz KMLYJELARBCSGC-ZWKOTPCHSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016663847 1312912088 /nfs/dbraw/zinc/91/20/88/1312912088.db2.gz UXJOHRKJVSZQMP-ROUUACIJSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417446 1312920629 /nfs/dbraw/zinc/92/06/29/1312920629.db2.gz AIXOKZUVLIHFMH-DLBZAZTESA-N 2 0 333.520 2.702 20 30 EFEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(C#N)cc1O ZINC001233386988 1312920795 /nfs/dbraw/zinc/92/07/95/1312920795.db2.gz PRZRXBHXCUOXGE-UHFFFAOYSA-N 2 0 346.519 2.749 20 30 EFEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001191010396 1292423127 /nfs/dbraw/zinc/42/31/27/1292423127.db2.gz LRCLUDHOXGNXEY-PKOBYXMFSA-N 2 0 346.519 2.949 20 30 EFEDRP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001191010827 1292423963 /nfs/dbraw/zinc/42/39/63/1292423963.db2.gz QSRYIZWKAWNOQJ-MSOLQXFVSA-N 2 0 346.519 2.949 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701647 1312934382 /nfs/dbraw/zinc/93/43/82/1312934382.db2.gz CIPAXHBLFWJKLU-QZTJIDSGSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191544078 1292563058 /nfs/dbraw/zinc/56/30/58/1292563058.db2.gz YCCFNWPTPKXXHH-SFHVURJKSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191544120 1292563165 /nfs/dbraw/zinc/56/31/65/1292563165.db2.gz ZDMCYZRJHKAMLO-LJQANCHMSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828694 1292649896 /nfs/dbraw/zinc/64/98/96/1292649896.db2.gz IPOWSEZTZWGWQX-ZSYWTGECSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947268 1292724530 /nfs/dbraw/zinc/72/45/30/1292724530.db2.gz HSNDFTUASKQPLQ-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP CC[NH+]=C(NCc1cc(F)ccc1F)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128897192 1292801239 /nfs/dbraw/zinc/80/12/39/1292801239.db2.gz HIQRQJCNQRPPPK-IUODEOHRSA-N 2 0 336.430 2.645 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114839450 1292813241 /nfs/dbraw/zinc/81/32/41/1292813241.db2.gz AZAWLPQUODVKHU-DZFIZOCASA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001016754556 1312960549 /nfs/dbraw/zinc/96/05/49/1312960549.db2.gz OMGDXRMHOKDQFG-MOPGFXCFSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC001203588211 1312963919 /nfs/dbraw/zinc/96/39/19/1312963919.db2.gz JFADJPFLRCKUJA-MOPGFXCFSA-N 2 0 345.531 2.702 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049524474 1312966241 /nfs/dbraw/zinc/96/62/41/1312966241.db2.gz MDHXFYZALMGLCB-IPMKNSEASA-N 2 0 333.520 2.891 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114848705 1292999291 /nfs/dbraw/zinc/99/92/91/1292999291.db2.gz DWBAQYVQEMQBAG-DZFIZOCASA-N 2 0 337.552 2.981 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616321 1312971763 /nfs/dbraw/zinc/97/17/63/1312971763.db2.gz YLXYHSBLMBNMMS-QZTJIDSGSA-N 2 0 342.487 2.744 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616323 1312971907 /nfs/dbraw/zinc/97/19/07/1312971907.db2.gz YLXYHSBLMBNMMS-ZWKOTPCHSA-N 2 0 342.487 2.744 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616288 1312972057 /nfs/dbraw/zinc/97/20/57/1312972057.db2.gz YANCSIOATATHNB-MSOLQXFVSA-N 2 0 342.487 2.744 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001192904589 1293094428 /nfs/dbraw/zinc/09/44/28/1293094428.db2.gz BCMNCJGTJDHYSH-INIZCTEOSA-N 2 0 329.916 2.784 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544607 1312991031 /nfs/dbraw/zinc/99/10/31/1312991031.db2.gz DRJVDHYRPDQVGA-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001193425124 1293304785 /nfs/dbraw/zinc/30/47/85/1293304785.db2.gz SWAYNFXKPCSEKA-RBUKOAKNSA-N 2 0 329.488 2.788 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498022 1293326011 /nfs/dbraw/zinc/32/60/11/1293326011.db2.gz FDJAUFBTVLGHBQ-JKSUJKDBSA-N 2 0 330.476 2.649 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820691 1312997224 /nfs/dbraw/zinc/99/72/24/1312997224.db2.gz SHLDCKQXQNEUPJ-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000882948736 1293398103 /nfs/dbraw/zinc/39/81/03/1293398103.db2.gz JPESCRZBUNYDLH-UHFFFAOYSA-N 2 0 339.483 2.956 20 30 EFEDRP Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cccc(C#N)c2)CC3)cn1 ZINC001203761875 1313008773 /nfs/dbraw/zinc/00/87/73/1313008773.db2.gz FVJUPHGSQXWKPP-UHFFFAOYSA-N 2 0 349.482 2.922 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773329 1313011376 /nfs/dbraw/zinc/01/13/76/1313011376.db2.gz VPZXYKJDLIWZHP-OALUTQOASA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772761 1313011716 /nfs/dbraw/zinc/01/17/16/1313011716.db2.gz SUZCAEVXCIAEMG-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2ccnc2)C1 ZINC001194449123 1293627885 /nfs/dbraw/zinc/62/78/85/1293627885.db2.gz PLNPPMHLMZFSTC-SFHVURJKSA-N 2 0 332.492 2.942 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016861999 1313015618 /nfs/dbraw/zinc/01/56/18/1313015618.db2.gz RLOWQKUMUXIXOY-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560253 1313017878 /nfs/dbraw/zinc/01/78/78/1313017878.db2.gz CAKQICOJXNLXSM-RBUKOAKNSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562110 1313020682 /nfs/dbraw/zinc/02/06/82/1313020682.db2.gz UFFQBDOFBUOPJD-RTBURBONSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049562109 1313021105 /nfs/dbraw/zinc/02/11/05/1313021105.db2.gz UFFQBDOFBUOPJD-RBUKOAKNSA-N 2 0 338.455 2.898 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016876079 1313022077 /nfs/dbraw/zinc/02/20/77/1313022077.db2.gz DLFFLOIUDNAJMI-GOSISDBHSA-N 2 0 327.472 2.519 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563880 1313024161 /nfs/dbraw/zinc/02/41/61/1313024161.db2.gz IJVWQIOZFKVZIP-QZTJIDSGSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001016891197 1313029254 /nfs/dbraw/zinc/02/92/54/1313029254.db2.gz CKMUUUIDLCNNAH-GOSISDBHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016906054 1313036426 /nfs/dbraw/zinc/03/64/26/1313036426.db2.gz JIVIXYGXRKJSKK-GOSISDBHSA-N 2 0 333.520 2.654 20 30 EFEDRP Cn1cc(C[N@@H+]2CCCC23CCN(Cc2ccc(C#N)cc2)CC3)cn1 ZINC001203901525 1313043310 /nfs/dbraw/zinc/04/33/10/1313043310.db2.gz OVVIDEXVAJQDKQ-UHFFFAOYSA-N 2 0 349.482 2.922 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155643 1294152680 /nfs/dbraw/zinc/15/26/80/1294152680.db2.gz PYJBKSKCZGNMQO-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367309 1294229704 /nfs/dbraw/zinc/22/97/04/1294229704.db2.gz WYBRCRFSNHQPHV-SFHVURJKSA-N 2 0 344.503 2.797 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001016983479 1313071837 /nfs/dbraw/zinc/07/18/37/1313071837.db2.gz TZYOPHVPVHMRJY-JKSUJKDBSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCCC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001197158168 1294470378 /nfs/dbraw/zinc/47/03/78/1294470378.db2.gz JXXKVIZDQBIXGX-LJQANCHMSA-N 2 0 339.499 2.699 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)c1 ZINC000303691945 1294562515 /nfs/dbraw/zinc/56/25/15/1294562515.db2.gz AYSJFUCSMOWDOU-UHFFFAOYSA-N 2 0 336.480 2.798 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000303864490 1294591337 /nfs/dbraw/zinc/59/13/37/1294591337.db2.gz AZJBEQWBOFEFRO-AUUYWEPGSA-N 2 0 348.491 2.941 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000303864498 1294591990 /nfs/dbraw/zinc/59/19/90/1294591990.db2.gz AZJBEQWBOFEFRO-LIRRHRJNSA-N 2 0 348.491 2.941 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303870726 1294592853 /nfs/dbraw/zinc/59/28/53/1294592853.db2.gz BJEJNNHWGWCBAR-IXDOHACOSA-N 2 0 346.519 2.604 20 30 EFEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C[C@H](C)O1 ZINC000303871402 1294593564 /nfs/dbraw/zinc/59/35/64/1294593564.db2.gz BQDMUWAVDVNITB-IYBDPMFKSA-N 2 0 344.503 2.500 20 30 EFEDRP COc1cccc(NC(=[NH2+])NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000303884310 1294597823 /nfs/dbraw/zinc/59/78/23/1294597823.db2.gz JEFRSKRHQXYRLV-UHFFFAOYSA-N 2 0 342.443 2.562 20 30 EFEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(OCC)ccc2OCC)C1 ZINC000303882584 1294598397 /nfs/dbraw/zinc/59/83/97/1294598397.db2.gz LPDHDWSVODCJGV-HNNXBMFYSA-N 2 0 348.491 2.943 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000303893171 1294599442 /nfs/dbraw/zinc/59/94/42/1294599442.db2.gz RSZXAVCSPHSKBQ-HNNXBMFYSA-N 2 0 348.491 2.943 20 30 EFEDRP C[C@H]1CCCN(C(=[NH2+])NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000303977766 1294613111 /nfs/dbraw/zinc/61/31/11/1294613111.db2.gz LRRQXSFMJUDCEN-INIZCTEOSA-N 2 0 332.492 2.564 20 30 EFEDRP C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000303977767 1294613751 /nfs/dbraw/zinc/61/37/51/1294613751.db2.gz LRRQXSFMJUDCEN-MRXNPFEDSA-N 2 0 332.492 2.564 20 30 EFEDRP CCC(=O)C[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277851134 1313106818 /nfs/dbraw/zinc/10/68/18/1313106818.db2.gz CPIMTVAPCHSWGS-UHFFFAOYSA-N 2 0 342.487 2.554 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001198236282 1294947915 /nfs/dbraw/zinc/94/79/15/1294947915.db2.gz HSIGKCPECWGFCR-UHFFFAOYSA-N 2 0 347.547 2.692 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCCCCC)CC2)CC1 ZINC001198236305 1294948329 /nfs/dbraw/zinc/94/83/29/1294948329.db2.gz IJXQTDKTGOOADD-UHFFFAOYSA-N 2 0 347.547 2.836 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001276360405 1295276284 /nfs/dbraw/zinc/27/62/84/1295276284.db2.gz TURMKVLQTGKWLR-FQEVSTJZSA-N 2 0 326.488 2.954 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902288 1295303893 /nfs/dbraw/zinc/30/38/93/1295303893.db2.gz JEVXRLAFRXKIEM-MSOLQXFVSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198902859 1295304199 /nfs/dbraw/zinc/30/41/99/1295304199.db2.gz QWCKFDSFBWVYON-AEFFLSMTSA-N 2 0 345.487 2.503 20 30 EFEDRP CS[C@H](C)CC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001276470984 1313157221 /nfs/dbraw/zinc/15/72/21/1313157221.db2.gz WAXDUIMOBIDTKJ-MRXNPFEDSA-N 2 0 346.544 2.936 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676276 1313170518 /nfs/dbraw/zinc/17/05/18/1313170518.db2.gz NESZFPWQAQOYCZ-MSOLQXFVSA-N 2 0 345.487 2.986 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049676279 1313170549 /nfs/dbraw/zinc/17/05/49/1313170549.db2.gz NESZFPWQAQOYCZ-ZWKOTPCHSA-N 2 0 345.487 2.986 20 30 EFEDRP C[NH+]=C(NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC1 ZINC000103337978 1295684214 /nfs/dbraw/zinc/68/42/14/1295684214.db2.gz ODHBOWMCMDMMAB-HZPDHXFCSA-N 2 0 328.504 2.992 20 30 EFEDRP C[NH+]=C(NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000103337976 1295685139 /nfs/dbraw/zinc/68/51/39/1295685139.db2.gz ODHBOWMCMDMMAB-IYBDPMFKSA-N 2 0 328.504 2.992 20 30 EFEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000304746121 1295747911 /nfs/dbraw/zinc/74/79/11/1295747911.db2.gz FNUVKIOLASVOTQ-NSHDSACASA-N 2 0 330.354 2.654 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000304759363 1295750515 /nfs/dbraw/zinc/75/05/15/1295750515.db2.gz RAQPAYFKZXFPKV-WMZOPIPTSA-N 3 0 345.535 2.504 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000304763103 1295754745 /nfs/dbraw/zinc/75/47/45/1295754745.db2.gz WJIZKLKGWSOCGB-UHFFFAOYSA-N 2 0 346.519 2.894 20 30 EFEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC001204847449 1313202649 /nfs/dbraw/zinc/20/26/49/1313202649.db2.gz BCGLLWTUYYFFIU-SFHVURJKSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC001204843904 1313202136 /nfs/dbraw/zinc/20/21/36/1313202136.db2.gz ZTSPMHHPFXUSQJ-GOSISDBHSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)C1 ZINC001205000894 1313219570 /nfs/dbraw/zinc/21/95/70/1313219570.db2.gz MKNIBPLAKLFVQN-MJGOQNOKSA-N 2 0 335.492 2.629 20 30 EFEDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205219393 1313253436 /nfs/dbraw/zinc/25/34/36/1313253436.db2.gz BWUOQGBWLNIGIN-JOCHJYFZSA-N 2 0 334.463 2.762 20 30 EFEDRP N#Cc1ccc(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903823393 1313254410 /nfs/dbraw/zinc/25/44/10/1313254410.db2.gz GGLLIVKKTKZKTE-FQEVSTJZSA-N 2 0 339.483 2.896 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001276037268 1296497790 /nfs/dbraw/zinc/49/77/90/1296497790.db2.gz ZFMHVBDLXFDJGM-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283411 1313264624 /nfs/dbraw/zinc/26/46/24/1313264624.db2.gz BKHIBTJWEWNOPY-OALUTQOASA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001201238541 1296645929 /nfs/dbraw/zinc/64/59/29/1296645929.db2.gz AORMVKHUFJGFAB-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1CC#N)C2 ZINC001276242343 1296673027 /nfs/dbraw/zinc/67/30/27/1296673027.db2.gz KHMRCVYOMPIWMG-NRFANRHFSA-N 2 0 340.515 2.602 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205436699 1313288468 /nfs/dbraw/zinc/28/84/68/1313288468.db2.gz CKETWGSHMNSYAD-OTWHNJEPSA-N 2 0 347.478 2.626 20 30 EFEDRP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960276510 1296689132 /nfs/dbraw/zinc/68/91/32/1296689132.db2.gz XLCZUKIHCPCMKB-HSALFYBXSA-N 2 0 341.499 2.665 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205457775 1313292854 /nfs/dbraw/zinc/29/28/54/1313292854.db2.gz PKIDLZOVXXDFCY-KRWDZBQOSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001201337303 1296749117 /nfs/dbraw/zinc/74/91/17/1296749117.db2.gz PCMXQQPMFSRSHR-KRWDZBQOSA-N 2 0 344.503 2.773 20 30 EFEDRP C[C@@H]1CCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776163142 1296766190 /nfs/dbraw/zinc/76/61/90/1296766190.db2.gz PORJCTUFDCPTAM-QGZVFWFLSA-N 2 0 326.488 2.597 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001205518775 1313303467 /nfs/dbraw/zinc/30/34/67/1313303467.db2.gz KNYDOGSXJLCLTM-SJORKVTESA-N 2 0 339.911 2.584 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCCCCC)C2)CC1 ZINC001211233657 1314461041 /nfs/dbraw/zinc/46/10/41/1314461041.db2.gz LCGRTODEBBDHBO-HXUWFJFHSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001205625457 1313326014 /nfs/dbraw/zinc/32/60/14/1313326014.db2.gz QJQVWNWTJZQELH-UHFFFAOYSA-N 2 0 326.444 2.742 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205626217 1313326034 /nfs/dbraw/zinc/32/60/34/1313326034.db2.gz ZWCHRGSKGRHHLP-QXAKKESOSA-N 2 0 347.478 2.626 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2ccccc2)CC1 ZINC001201671586 1296983266 /nfs/dbraw/zinc/98/32/66/1296983266.db2.gz KEZIHHIALRDRGU-UHFFFAOYSA-N 2 0 327.516 2.911 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3sc4c(c3C#N)CCC4)cc[nH+]2)CC1 ZINC001201650941 1296999391 /nfs/dbraw/zinc/99/93/91/1296999391.db2.gz KBCARPFRXDJNBQ-UHFFFAOYSA-N 2 0 339.468 2.999 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1ccccc1F ZINC001205674187 1313335126 /nfs/dbraw/zinc/33/51/26/1313335126.db2.gz CTRSDEWSOCKXSQ-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001205752037 1313350358 /nfs/dbraw/zinc/35/03/58/1313350358.db2.gz SYJAAPSWLGCCDN-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136933 1297238231 /nfs/dbraw/zinc/23/82/31/1297238231.db2.gz PKXNPLXSPRMXLS-OALUTQOASA-N 2 0 332.536 2.808 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631512 1313362919 /nfs/dbraw/zinc/36/29/19/1313362919.db2.gz ADFNCUCQJYTCLY-QZTJIDSGSA-N 2 0 332.492 2.969 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049837746 1313369135 /nfs/dbraw/zinc/36/91/35/1313369135.db2.gz REMPXPIXSKZBBW-ZCNNSNEGSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722539 1313383323 /nfs/dbraw/zinc/38/33/23/1313383323.db2.gz LJTTXLGXRFTTQC-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722541 1313383458 /nfs/dbraw/zinc/38/34/58/1313383458.db2.gz LJTTXLGXRFTTQC-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2Cl)CC1 ZINC000305640165 1297607805 /nfs/dbraw/zinc/60/78/05/1297607805.db2.gz BAZAHDMORLXMTH-CQSZACIVSA-N 2 0 334.895 2.760 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206273896 1313429334 /nfs/dbraw/zinc/42/93/34/1313429334.db2.gz CTDMPEOLLMIJRR-IBGZPJMESA-N 2 0 339.499 2.603 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001206308005 1313433815 /nfs/dbraw/zinc/43/38/15/1313433815.db2.gz TZOOLHCFOSWUEJ-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C[NH+](C)CCCn1cc(-c2ccccc2C2(C#N)CC[NH2+]CC2)cn1 ZINC001236156531 1313448854 /nfs/dbraw/zinc/44/88/54/1313448854.db2.gz WEIBMHXRFSVJFX-UHFFFAOYSA-N 2 0 337.471 2.647 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948439792 1298010254 /nfs/dbraw/zinc/01/02/54/1298010254.db2.gz VSZMTNKTGQENPC-RTBURBONSA-N 2 0 333.520 2.586 20 30 EFEDRP N#Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236321304 1313469096 /nfs/dbraw/zinc/46/90/96/1313469096.db2.gz HUTJHNLIQMKGAL-OKILXGFUSA-N 2 0 334.261 2.752 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206547030 1313473500 /nfs/dbraw/zinc/47/35/00/1313473500.db2.gz BSXVWGBEDIQJIH-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180410 1298256161 /nfs/dbraw/zinc/25/61/61/1298256161.db2.gz GVZUDQUVGBTLKN-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961181348 1298259622 /nfs/dbraw/zinc/25/96/22/1298259622.db2.gz JHLKAUSKPAPEDJ-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961184738 1298268464 /nfs/dbraw/zinc/26/84/64/1298268464.db2.gz OEPUKUDTZHAHDG-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961189201 1298275504 /nfs/dbraw/zinc/27/55/04/1298275504.db2.gz YKLNGVGRVNAGRF-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206007 1298323167 /nfs/dbraw/zinc/32/31/67/1298323167.db2.gz WWCHDIGRQJCZRT-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000961230165 1298371989 /nfs/dbraw/zinc/37/19/89/1298371989.db2.gz KPDZTPLTQAFKIB-RBUKOAKNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231270 1298377394 /nfs/dbraw/zinc/37/73/94/1298377394.db2.gz NBAVQVLAGMCYOL-MOPGFXCFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000961231272 1298377451 /nfs/dbraw/zinc/37/74/51/1298377451.db2.gz NBAVQVLAGMCYOL-OALUTQOASA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252442 1298423400 /nfs/dbraw/zinc/42/34/00/1298423400.db2.gz OEBCNLSFENMROB-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268200 1298454450 /nfs/dbraw/zinc/45/44/50/1298454450.db2.gz FTJCWXQOQSLULY-OALUTQOASA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961290208 1298501780 /nfs/dbraw/zinc/50/17/80/1298501780.db2.gz CSESZCPOEAEXBT-WOJBJXKFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961338508 1298577618 /nfs/dbraw/zinc/57/76/18/1298577618.db2.gz FZCYBIPCVNPZJB-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961365358 1298621843 /nfs/dbraw/zinc/62/18/43/1298621843.db2.gz GPYWRVDDNZQYMC-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961370841 1298631050 /nfs/dbraw/zinc/63/10/50/1298631050.db2.gz DYZMMGMUDIOYHT-YZGWKJHDSA-N 2 0 347.547 2.853 20 30 EFEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869152 1313530052 /nfs/dbraw/zinc/53/00/52/1313530052.db2.gz VLBWNRPGTFZBDQ-FQEVSTJZSA-N 2 0 341.499 2.531 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372950 1298635665 /nfs/dbraw/zinc/63/56/65/1298635665.db2.gz FDXZHQUNJQBFFT-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961373569 1298638870 /nfs/dbraw/zinc/63/88/70/1298638870.db2.gz HUNCPHFNVIXDEF-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869153 1313530505 /nfs/dbraw/zinc/53/05/05/1313530505.db2.gz VLBWNRPGTFZBDQ-HXUWFJFHSA-N 2 0 341.499 2.531 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871397 1313530861 /nfs/dbraw/zinc/53/08/61/1313530861.db2.gz JZBDEZPEERANSF-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000961375033 1298642235 /nfs/dbraw/zinc/64/22/35/1298642235.db2.gz NZXYPMXTBLXRFQ-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961376246 1298643581 /nfs/dbraw/zinc/64/35/81/1298643581.db2.gz RFTVCZNRADCMJT-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961376496 1298645454 /nfs/dbraw/zinc/64/54/54/1298645454.db2.gz TYTGQJPOZPDDMT-PMACEKPBSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376803 1298645980 /nfs/dbraw/zinc/64/59/80/1298645980.db2.gz DHGAEYVPDATVNP-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000961395482 1298683626 /nfs/dbraw/zinc/68/36/26/1298683626.db2.gz XSJZIKWOSJFMFC-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961402380 1298694471 /nfs/dbraw/zinc/69/44/71/1298694471.db2.gz RGYYSWSYKMSEBN-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000961403521 1298696066 /nfs/dbraw/zinc/69/60/66/1298696066.db2.gz UUKOBLRUBLDPJV-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961407000 1298701073 /nfs/dbraw/zinc/70/10/73/1298701073.db2.gz UKCJDJZZYXMSMP-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410076 1298704752 /nfs/dbraw/zinc/70/47/52/1298704752.db2.gz FDFKALPDNAFSLR-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431285 1298738798 /nfs/dbraw/zinc/73/87/98/1298738798.db2.gz JQNXXCHGKXKEEM-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961432184 1298739538 /nfs/dbraw/zinc/73/95/38/1298739538.db2.gz PAJAMSLGEWDXFK-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961444071 1298755559 /nfs/dbraw/zinc/75/55/59/1298755559.db2.gz ZACFYQNJRSYBFX-HXUWFJFHSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001017835927 1313548146 /nfs/dbraw/zinc/54/81/46/1313548146.db2.gz VDKWHCCCNLWOGF-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c(F)c2)CC1 ZINC001236939529 1313557076 /nfs/dbraw/zinc/55/70/76/1313557076.db2.gz SAMWVMUJTRCXOJ-OHFIKTQHSA-N 2 0 342.462 2.844 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCc2cc(OC)ccc21 ZINC000305793245 1298868603 /nfs/dbraw/zinc/86/86/03/1298868603.db2.gz MHEGAJJRCSTSTQ-IAGOWNOFSA-N 2 0 344.503 2.504 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206948998 1313566992 /nfs/dbraw/zinc/56/69/92/1313566992.db2.gz LLLGOPXYHSCRDF-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001206950134 1313567107 /nfs/dbraw/zinc/56/71/07/1313567107.db2.gz CBGOIXVFZGXGLG-UHFFFAOYSA-N 2 0 349.906 2.943 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952195 1313568411 /nfs/dbraw/zinc/56/84/11/1313568411.db2.gz COCRVFXPMBSVKI-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001206952546 1313569171 /nfs/dbraw/zinc/56/91/71/1313569171.db2.gz UFPRENSBGBIDIB-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980234 1313579859 /nfs/dbraw/zinc/57/98/59/1313579859.db2.gz MXDDSPRAUJWWHE-BHIYHBOVSA-N 2 0 335.536 2.735 20 30 EFEDRP C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101779 1299547640 /nfs/dbraw/zinc/54/76/40/1299547640.db2.gz SQWLHDSZOOIDGP-UTKZUKDTSA-N 2 0 341.499 2.547 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110661311 1300012102 /nfs/dbraw/zinc/01/21/02/1300012102.db2.gz QAAGZNLSYOWWGY-MKXGPGLRSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416369 1300148067 /nfs/dbraw/zinc/14/80/67/1300148067.db2.gz NTFDSEYCFFATEG-QRVBRYPASA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)CC1 ZINC001207391990 1313673595 /nfs/dbraw/zinc/67/35/95/1313673595.db2.gz SLOHBAGABFVOKO-UHFFFAOYSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322625 1300597926 /nfs/dbraw/zinc/59/79/26/1300597926.db2.gz HVPDQEKWVYOOLE-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328045 1300612575 /nfs/dbraw/zinc/61/25/75/1300612575.db2.gz KZLDCJUZMBKDAU-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345249 1300649611 /nfs/dbraw/zinc/64/96/11/1300649611.db2.gz FKULXKZRADWFCV-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963348610 1300658175 /nfs/dbraw/zinc/65/81/75/1300658175.db2.gz ZOMNVAAKJDOAJW-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429614 1300836828 /nfs/dbraw/zinc/83/68/28/1300836828.db2.gz QHLSTGGQNLFIEE-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963432056 1300843096 /nfs/dbraw/zinc/84/30/96/1300843096.db2.gz ZTDHGVBVSAHIDI-PMACEKPBSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000963901948 1301451298 /nfs/dbraw/zinc/45/12/98/1301451298.db2.gz DLYMQKBCCYXAIR-UHFFFAOYSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000963901956 1301452532 /nfs/dbraw/zinc/45/25/32/1301452532.db2.gz DPMSBJZJZFJNRL-RJYAGPCLSA-N 2 0 339.499 2.744 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000963933454 1301492174 /nfs/dbraw/zinc/49/21/74/1301492174.db2.gz LKMYSCGRPSXOLK-UFQJCFOOSA-N 2 0 333.520 2.557 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868152 1313792320 /nfs/dbraw/zinc/79/23/20/1313792320.db2.gz KHCVMKSFDDHTMZ-IIDMSEBBSA-N 2 0 326.444 2.739 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001202504485 1301791893 /nfs/dbraw/zinc/79/18/93/1301791893.db2.gz UGHAVLHLSVIWCU-IBGZPJMESA-N 2 0 339.499 2.746 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000964436455 1301832742 /nfs/dbraw/zinc/83/27/42/1301832742.db2.gz GWYLHWDPZGEYLS-UHFFFAOYSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000964438680 1301836440 /nfs/dbraw/zinc/83/64/40/1301836440.db2.gz ZCATYNRYDLKGMS-JCYILVPMSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000964605426 1302051340 /nfs/dbraw/zinc/05/13/40/1302051340.db2.gz JRPRLHJPMXRHQG-UHFFFAOYSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208110592 1313849856 /nfs/dbraw/zinc/84/98/56/1313849856.db2.gz WGQVPZBIZLGCNS-AZUAARDMSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208185192 1313864018 /nfs/dbraw/zinc/86/40/18/1313864018.db2.gz WJOPBNQFKSRHNE-UHFFFAOYSA-N 2 0 349.519 2.829 20 30 EFEDRP CCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238879173 1313877813 /nfs/dbraw/zinc/87/78/13/1313877813.db2.gz IRFXBBQINDWRMG-UHFFFAOYSA-N 2 0 349.585 2.765 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001208258440 1313883104 /nfs/dbraw/zinc/88/31/04/1313883104.db2.gz JUSXHPXJQKDOGE-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000965345589 1303143764 /nfs/dbraw/zinc/14/37/64/1303143764.db2.gz APNUDAWBAWKUPF-QAELIBMJSA-N 2 0 333.520 2.842 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000965841071 1303344709 /nfs/dbraw/zinc/34/47/09/1303344709.db2.gz ASZRWQGZJHTROQ-RJKRPDFYSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000965841072 1303344936 /nfs/dbraw/zinc/34/49/36/1303344936.db2.gz ASZRWQGZJHTROQ-VCMYPUNYSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097209019 1313909184 /nfs/dbraw/zinc/90/91/84/1313909184.db2.gz AXJNECLSNWAMID-MKXGPGLRSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097220628 1313915729 /nfs/dbraw/zinc/91/57/29/1313915729.db2.gz WLKUNTIDYMFWKO-MANSERQUSA-N 2 0 333.520 2.937 20 30 EFEDRP CCCCCCC[C@H](C)NC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239215667 1313914587 /nfs/dbraw/zinc/91/45/87/1313914587.db2.gz KXHIKPYGPOQUTI-IRXDYDNUSA-N 2 0 338.540 2.909 20 30 EFEDRP C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001239252828 1313919716 /nfs/dbraw/zinc/91/97/16/1313919716.db2.gz JLKSJSQWNBPRIX-UHFFFAOYSA-N 2 0 332.492 2.583 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001037849177 1303616557 /nfs/dbraw/zinc/61/65/57/1303616557.db2.gz KFMYKTFQEFJEMT-ZBFHGGJFSA-N 2 0 335.517 2.826 20 30 EFEDRP CCCCCCCCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364211 1313929820 /nfs/dbraw/zinc/92/98/20/1313929820.db2.gz YFMDEWXINFVJSD-MRXNPFEDSA-N 2 0 340.581 2.685 20 30 EFEDRP CCCCCCCCCCNC(=S)NCCC[NH2+]CCC[NH3+] ZINC001239396394 1313932375 /nfs/dbraw/zinc/93/23/75/1313932375.db2.gz GQHJZMQIDTXTLG-UHFFFAOYSA-N 2 0 330.586 2.920 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463169 1313935752 /nfs/dbraw/zinc/93/57/52/1313935752.db2.gz LPAAMGNXAVCNDJ-QZTJIDSGSA-N 2 0 344.503 2.843 20 30 EFEDRP CCCCCCCCNC(=S)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001239461965 1313941186 /nfs/dbraw/zinc/94/11/86/1313941186.db2.gz ZMWVUHTXUQTNEN-QGZVFWFLSA-N 2 0 342.597 2.837 20 30 EFEDRP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001114401971 1303863571 /nfs/dbraw/zinc/86/35/71/1303863571.db2.gz BEKUMPVWAARHIF-VNTMZGSJSA-N 2 0 347.547 2.757 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CC ZINC001037874924 1303980760 /nfs/dbraw/zinc/98/07/60/1303980760.db2.gz IVRLNCVCZJTWCJ-WMLDXEAASA-N 2 0 346.862 2.917 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1 ZINC001208593295 1313970733 /nfs/dbraw/zinc/97/07/33/1313970733.db2.gz GQILKBAKVNJVRQ-HXUWFJFHSA-N 2 0 349.519 2.829 20 30 EFEDRP C#CCOc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1OC ZINC001276576519 1314000425 /nfs/dbraw/zinc/00/04/25/1314000425.db2.gz GMJIIZMBPODPLT-UHFFFAOYSA-N 2 0 328.456 2.625 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001208722181 1314002377 /nfs/dbraw/zinc/00/23/77/1314002377.db2.gz PXCGSEZVXWPCHL-BRSBDYLESA-N 2 0 346.519 2.931 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001037928678 1304831979 /nfs/dbraw/zinc/83/19/79/1304831979.db2.gz DTSHGYTWIXTUGI-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP N#Cc1cc(-c2cncc([C@@H]3C[NH+]4CCC3CC4)n2)cc(C2C[NH2+]C2)c1 ZINC001240346623 1314022818 /nfs/dbraw/zinc/02/28/18/1314022818.db2.gz SUXCCQRYGDDOBM-LJQANCHMSA-N 2 0 345.450 2.511 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425222 1304978728 /nfs/dbraw/zinc/97/87/28/1304978728.db2.gz YOPMAZXWBFWMCE-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001037944685 1305062746 /nfs/dbraw/zinc/06/27/46/1305062746.db2.gz AUMWLIUVZBCEOR-IEBWSBKVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001037944682 1305063081 /nfs/dbraw/zinc/06/30/81/1305063081.db2.gz AUMWLIUVZBCEOR-HKUYNNGSSA-N 2 0 333.520 2.511 20 30 EFEDRP N#Cc1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240361180 1314025206 /nfs/dbraw/zinc/02/52/06/1314025206.db2.gz UJNVMRNHVXRSGJ-UHFFFAOYSA-N 2 0 347.462 2.787 20 30 EFEDRP N#Cc1ccc(CCC[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208859821 1314031594 /nfs/dbraw/zinc/03/15/94/1314031594.db2.gz USWMGQZNBHAWNA-OYRHEFFESA-N 2 0 346.478 2.950 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001037949298 1305203191 /nfs/dbraw/zinc/20/31/91/1305203191.db2.gz LZBZAXHSVAGPTJ-SJORKVTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCN(CC[N@H+](C)CC1CC[NH+](C(C)C)CC1)C(=O)OCC ZINC001209020789 1314071909 /nfs/dbraw/zinc/07/19/09/1314071909.db2.gz BXGOERQVPPZCEF-UHFFFAOYSA-N 2 0 325.497 2.683 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001043879993 1306094673 /nfs/dbraw/zinc/09/46/73/1306094673.db2.gz NSCXLDUKTOIFPL-UHFFFAOYSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209202559 1314114953 /nfs/dbraw/zinc/11/49/53/1314114953.db2.gz FENSTCJRPQHYGL-WOJBJXKFSA-N 2 0 335.536 2.604 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516680 1306422624 /nfs/dbraw/zinc/42/26/24/1306422624.db2.gz DLBXLARVDBLALO-PXNSSMCTSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516681 1306423056 /nfs/dbraw/zinc/42/30/56/1306423056.db2.gz DLBXLARVDBLALO-XLIONFOSSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209277740 1314129811 /nfs/dbraw/zinc/12/98/11/1314129811.db2.gz KKXXFKRKRKKEHP-WBVHZDCISA-N 2 0 333.476 2.890 20 30 EFEDRP C=CCN(CC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001276635496 1314144886 /nfs/dbraw/zinc/14/48/86/1314144886.db2.gz MYIHFYHIHZWWBF-CALCHBBNSA-N 2 0 337.508 2.683 20 30 EFEDRP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000968882311 1306754513 /nfs/dbraw/zinc/75/45/13/1306754513.db2.gz LJBGKCRBCPIQAJ-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969001996 1306877015 /nfs/dbraw/zinc/87/70/15/1306877015.db2.gz IEMJJOWHGIROJT-PMACEKPBSA-N 2 0 345.531 2.778 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058812 1306931999 /nfs/dbraw/zinc/93/19/99/1306931999.db2.gz AHIXHADOOGRINL-MOPGFXCFSA-N 2 0 333.520 2.633 20 30 EFEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000969059386 1306932675 /nfs/dbraw/zinc/93/26/75/1306932675.db2.gz LQOWQXMCEXHXAR-MOPGFXCFSA-N 2 0 333.520 2.633 20 30 EFEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC000969108701 1306984330 /nfs/dbraw/zinc/98/43/30/1306984330.db2.gz JUYOSTKWOPYQSP-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCCCCC[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209427237 1314161932 /nfs/dbraw/zinc/16/19/32/1314161932.db2.gz LNGNSWNEZGLCRG-UHFFFAOYSA-N 2 0 334.508 2.913 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209448346 1314164031 /nfs/dbraw/zinc/16/40/31/1314164031.db2.gz PCIAQEFXQQFGCA-FQEVSTJZSA-N 2 0 349.519 2.973 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008061071 1307792248 /nfs/dbraw/zinc/79/22/48/1307792248.db2.gz GPGLHVDZIUCNKR-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921969 1307899827 /nfs/dbraw/zinc/89/98/27/1307899827.db2.gz WMAXWZYIPCIGAA-AEFFLSMTSA-N 2 0 339.911 2.538 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045936172 1307934209 /nfs/dbraw/zinc/93/42/09/1307934209.db2.gz BCESGCGYDCTYII-TZIWHRDSSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045936170 1307935142 /nfs/dbraw/zinc/93/51/42/1307935142.db2.gz BCESGCGYDCTYII-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939118 1307943071 /nfs/dbraw/zinc/94/30/71/1307943071.db2.gz VXFFYJZHAQOVER-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941066 1307948464 /nfs/dbraw/zinc/94/84/64/1307948464.db2.gz FMKBUASALYTYHO-TZIWHRDSSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001045941063 1307949252 /nfs/dbraw/zinc/94/92/52/1307949252.db2.gz FMKBUASALYTYHO-CTNGQTDRSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943235 1307956065 /nfs/dbraw/zinc/95/60/65/1307956065.db2.gz HDAIRENTWJUSAK-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943032 1307956114 /nfs/dbraw/zinc/95/61/14/1307956114.db2.gz FJQMFQPOHONEBV-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943031 1307956663 /nfs/dbraw/zinc/95/66/63/1307956663.db2.gz FJQMFQPOHONEBV-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943034 1307956855 /nfs/dbraw/zinc/95/68/55/1307956855.db2.gz FJQMFQPOHONEBV-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C2 ZINC001045945012 1307963028 /nfs/dbraw/zinc/96/30/28/1307963028.db2.gz MJQMNRCVVKPDED-HLIPFELVSA-N 2 0 342.487 2.794 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947583 1307970133 /nfs/dbraw/zinc/97/01/33/1307970133.db2.gz MTDJBBCKRRFJKU-UYAOXDASSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001045949140 1307974691 /nfs/dbraw/zinc/97/46/91/1307974691.db2.gz YMSJTAQRZABQCN-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001045949142 1307975121 /nfs/dbraw/zinc/97/51/21/1307975121.db2.gz YMSJTAQRZABQCN-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045950517 1307978965 /nfs/dbraw/zinc/97/89/65/1307978965.db2.gz DTCDECXHQBZWHJ-FQEVSTJZSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001045951061 1307980101 /nfs/dbraw/zinc/98/01/01/1307980101.db2.gz SPFQWHXCSHVVOR-FQEVSTJZSA-N 2 0 345.531 2.896 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001045951497 1307982730 /nfs/dbraw/zinc/98/27/30/1307982730.db2.gz FWBQSPZPKFWSHH-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953331 1307987309 /nfs/dbraw/zinc/98/73/09/1307987309.db2.gz YENGFOLUWHUPGM-PZJWPPBQSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001045965045 1308018027 /nfs/dbraw/zinc/01/80/27/1308018027.db2.gz BRONPGHNGMABIL-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976021 1308050299 /nfs/dbraw/zinc/05/02/99/1308050299.db2.gz OUEQEYAVGPJDEJ-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979400 1308062700 /nfs/dbraw/zinc/06/27/00/1308062700.db2.gz DCBZPKLCPLPENZ-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985930 1308085699 /nfs/dbraw/zinc/08/56/99/1308085699.db2.gz FJJZHMKVHPHRIL-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985759 1308085796 /nfs/dbraw/zinc/08/57/96/1308085796.db2.gz BRODTHCDYKBJMG-NRFANRHFSA-N 2 0 345.531 2.590 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001045985934 1308086166 /nfs/dbraw/zinc/08/61/66/1308086166.db2.gz FJJZHMKVHPHRIL-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986434 1308086911 /nfs/dbraw/zinc/08/69/11/1308086911.db2.gz QPVFMGMHEZWJHE-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001046946115 1309735854 /nfs/dbraw/zinc/73/58/54/1309735854.db2.gz SJXMXEYACUNNJB-HZPDHXFCSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046954877 1309759492 /nfs/dbraw/zinc/75/94/92/1309759492.db2.gz UQFIENFUWDVHDG-OAHLLOKOSA-N 2 0 348.397 2.597 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001046996812 1309887052 /nfs/dbraw/zinc/88/70/52/1309887052.db2.gz XQUPSRTXIRKSOW-CVEARBPZSA-N 2 0 343.462 2.510 20 30 EFEDRP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210614827 1314361061 /nfs/dbraw/zinc/36/10/61/1314361061.db2.gz JYSAEYPJSPACEZ-ICSRJNTNSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001047242153 1310393704 /nfs/dbraw/zinc/39/37/04/1310393704.db2.gz CBAFWYBWXYYFLI-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047242877 1310395749 /nfs/dbraw/zinc/39/57/49/1310395749.db2.gz GYXDGZNUBSDDDZ-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047244051 1310398705 /nfs/dbraw/zinc/39/87/05/1310398705.db2.gz PJGVSEAYLAHMSS-UXHICEINSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047244449 1310400471 /nfs/dbraw/zinc/40/04/71/1310400471.db2.gz RWKGZCZYNPKRTN-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047245254 1310402581 /nfs/dbraw/zinc/40/25/81/1310402581.db2.gz YBOAUTAZHWVZBU-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047249134 1310413871 /nfs/dbraw/zinc/41/38/71/1310413871.db2.gz RYGFYSSUGFVPFY-IHPCNDPISA-N 2 0 347.547 2.853 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047253506 1310424684 /nfs/dbraw/zinc/42/46/84/1310424684.db2.gz AJTWHDJQAGBCFO-WOJBJXKFSA-N 2 0 347.547 2.547 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047257637 1310433403 /nfs/dbraw/zinc/43/34/03/1310433403.db2.gz SMKRDJNBHOMFGH-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258276 1310436358 /nfs/dbraw/zinc/43/63/58/1310436358.db2.gz YXUMZCRMOHIEBG-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001047258279 1310436393 /nfs/dbraw/zinc/43/63/93/1310436393.db2.gz YXUMZCRMOHIEBG-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001047265059 1310456263 /nfs/dbraw/zinc/45/62/63/1310456263.db2.gz WAIHQOXFADQBPU-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C[NH+](C)Cc1cccc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1F ZINC001244863240 1314421583 /nfs/dbraw/zinc/42/15/83/1314421583.db2.gz BXNRYNSHWXTZRR-UHFFFAOYSA-N 2 0 338.430 2.836 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221713995 1311017726 /nfs/dbraw/zinc/01/77/26/1311017726.db2.gz ILMSMRSHFWRWRN-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813754 1311036784 /nfs/dbraw/zinc/03/67/84/1311036784.db2.gz YEKPVWMOYRZXAO-GUDVDZBRSA-N 2 0 335.536 2.974 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001098870998 1311048465 /nfs/dbraw/zinc/04/84/65/1311048465.db2.gz YFPSFVHLQJTZLS-BJLQDIEVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910429 1311052167 /nfs/dbraw/zinc/05/21/67/1311052167.db2.gz AMGCGVUZLRQOMT-RTBURBONSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222026838 1311070362 /nfs/dbraw/zinc/07/03/62/1311070362.db2.gz AGWXZEBPCJPBDU-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099526660 1311100530 /nfs/dbraw/zinc/10/05/30/1311100530.db2.gz AAFBRQIPCHMZDN-NMLBUPMWSA-N 2 0 347.547 2.853 20 30 EFEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCO[C@H](C)C#N)CC1 ZINC000801938044 1311129297 /nfs/dbraw/zinc/12/92/97/1311129297.db2.gz YDTWWCIICBGQAZ-CVEARBPZSA-N 2 0 348.466 2.547 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443093 1311132895 /nfs/dbraw/zinc/13/28/95/1311132895.db2.gz QXSAKJZUBKCJTR-QYZOEREBSA-N 2 0 335.536 2.974 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3ccnc3)C[C@@H]21 ZINC001222940939 1311201493 /nfs/dbraw/zinc/20/14/93/1311201493.db2.gz AGXVCYYCIQMJDT-SQNIBIBYSA-N 2 0 330.476 2.579 20 30 EFEDRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1C ZINC001276856594 1311209522 /nfs/dbraw/zinc/20/95/22/1311209522.db2.gz DRJADGRYIDGGND-IHWFROFDSA-N 2 0 343.471 2.572 20 30 EFEDRP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276858104 1311211604 /nfs/dbraw/zinc/21/16/04/1311211604.db2.gz BDJKRHLEPUNNIL-OAQYLSRUSA-N 2 0 340.515 2.716 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203457 1311229948 /nfs/dbraw/zinc/22/99/48/1311229948.db2.gz YMVBOEVOZYDODW-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223245326 1311232830 /nfs/dbraw/zinc/23/28/30/1311232830.db2.gz ADGGXYQZYIFVET-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363904 1311237312 /nfs/dbraw/zinc/23/73/12/1311237312.db2.gz FHYNJRKEBMLZKD-SBHAEUEKSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001101589318 1311251642 /nfs/dbraw/zinc/25/16/42/1311251642.db2.gz HQDYCWUMENBALH-IEBWSBKVSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387794 1311253777 /nfs/dbraw/zinc/25/37/77/1311253777.db2.gz NKJPVZYIZGQDPF-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC001276886110 1311253877 /nfs/dbraw/zinc/25/38/77/1311253877.db2.gz VQSCSSMEVGUNFO-LCLWPZTBSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223412038 1311257646 /nfs/dbraw/zinc/25/76/46/1311257646.db2.gz XUBSZHWZWOPHNG-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472689 1311264851 /nfs/dbraw/zinc/26/48/51/1311264851.db2.gz SJRTYOXBYXNPEC-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101975873 1311271196 /nfs/dbraw/zinc/27/11/96/1311271196.db2.gz FDULUQTVZUFZNH-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001223686946 1311292148 /nfs/dbraw/zinc/29/21/48/1311292148.db2.gz LGYTVZWNSOUKIX-UHFFFAOYSA-N 2 0 344.503 2.702 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312522 1311303196 /nfs/dbraw/zinc/30/31/96/1311303196.db2.gz BINGNMZCRGSZKF-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001224128923 1311346396 /nfs/dbraw/zinc/34/63/96/1311346396.db2.gz AEBPSCYHGHZOII-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001224326696 1311376379 /nfs/dbraw/zinc/37/63/79/1311376379.db2.gz STLOJJYELSELBF-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001224796264 1311435940 /nfs/dbraw/zinc/43/59/40/1311435940.db2.gz OSEDKSMEUAAJIH-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001225132635 1311480149 /nfs/dbraw/zinc/48/01/49/1311480149.db2.gz WLNHHIMBNYAGEK-UHFFFAOYSA-N 2 0 347.547 2.903 20 30 EFEDRP CC#CC[NH+]1CCC(CNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001225142339 1311481167 /nfs/dbraw/zinc/48/11/67/1311481167.db2.gz HYQKKOYPAQXBFB-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001225154967 1311484258 /nfs/dbraw/zinc/48/42/58/1311484258.db2.gz LBVSTZUICBAJOL-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCCCCC)CC2)CC1 ZINC001225563320 1311544359 /nfs/dbraw/zinc/54/43/59/1311544359.db2.gz BFUQSOSVAIXARR-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP Cc1cc(N2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)cc[nH+]1 ZINC001277065458 1311566855 /nfs/dbraw/zinc/56/68/55/1311566855.db2.gz XVDBXNGXWFZTOZ-UHFFFAOYSA-N 2 0 335.455 2.703 20 30 EFEDRP N#Cc1cccc2c1CC[C@H]2Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159916442 1311608603 /nfs/dbraw/zinc/60/86/03/1311608603.db2.gz NOBRWEISKOMSFD-GOSISDBHSA-N 2 0 333.439 2.980 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001096314336 1311614483 /nfs/dbraw/zinc/61/44/83/1311614483.db2.gz DOKLHZAPACWBQI-XWSJACJDSA-N 2 0 333.520 2.939 20 30 EFEDRP N#Cc1cc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)cc(C2C[NH2+]C2)c1 ZINC001159978211 1311621748 /nfs/dbraw/zinc/62/17/48/1311621748.db2.gz LHMKYAWZCOEWBO-SFHVURJKSA-N 2 0 347.466 2.916 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001226267372 1311639600 /nfs/dbraw/zinc/63/96/00/1311639600.db2.gz HTRACTVLGNIEKN-DFQSSKMNSA-N 2 0 345.531 2.681 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119994 1311647577 /nfs/dbraw/zinc/64/75/77/1311647577.db2.gz JDJUAJGJFDKACQ-LJQANCHMSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160130972 1311649929 /nfs/dbraw/zinc/64/99/29/1311649929.db2.gz AVBJWFYFKQZDBF-PMACEKPBSA-N 2 0 345.531 2.965 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169147 1311659073 /nfs/dbraw/zinc/65/90/73/1311659073.db2.gz KMWYKXXPPRSSOX-RBUKOAKNSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285948 1311680109 /nfs/dbraw/zinc/68/01/09/1311680109.db2.gz MAJYSLOTOPRWGN-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001277150993 1311714359 /nfs/dbraw/zinc/71/43/59/1311714359.db2.gz GXDCQLLMTYGZSS-OPVJXMOQSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151217 1311714919 /nfs/dbraw/zinc/71/49/19/1311714919.db2.gz DQAJPOWGTSKZED-FXAWDEMLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[NH+]1CC2(C[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277151422 1311715274 /nfs/dbraw/zinc/71/52/74/1311715274.db2.gz JYPSMLBVDNNCFI-GOSISDBHSA-N 2 0 335.536 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466072 1311716329 /nfs/dbraw/zinc/71/63/29/1311716329.db2.gz AHXCISOIPXHZSL-RTBURBONSA-N 2 0 331.504 2.718 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226878314 1311736101 /nfs/dbraw/zinc/73/61/01/1311736101.db2.gz PUZBDCVIVBVDGX-ARFHVFGLSA-N 2 0 327.900 2.630 20 30 EFEDRP C#C[C@@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)C(C)C ZINC001227164568 1311770588 /nfs/dbraw/zinc/77/05/88/1311770588.db2.gz KGMAUPIWABGWEF-HXUWFJFHSA-N 3 0 345.531 2.908 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001227484067 1311811439 /nfs/dbraw/zinc/81/14/39/1311811439.db2.gz ZVCYXLNZIOZBEG-QZTJIDSGSA-N 2 0 326.444 2.931 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792682 1311856267 /nfs/dbraw/zinc/85/62/67/1311856267.db2.gz RKUDZXGVZNYYIH-QZTJIDSGSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048528269 1311864558 /nfs/dbraw/zinc/86/45/58/1311864558.db2.gz SPESWPNRCQPZSB-UJWQCDCRSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048531876 1311870397 /nfs/dbraw/zinc/87/03/97/1311870397.db2.gz IRXIPWLRKFBPSU-YSTOQKLRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048532219 1311871054 /nfs/dbraw/zinc/87/10/54/1311871054.db2.gz VYWTZHZPVMFQAZ-YSTOQKLRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001048538856 1311879759 /nfs/dbraw/zinc/87/97/59/1311879759.db2.gz DLRWDHJFKNOOHH-BJWYYQGGSA-N 2 0 338.455 2.802 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001228168375 1311910287 /nfs/dbraw/zinc/91/02/87/1311910287.db2.gz ZVSQJLWVJICCRA-VAMGGRTRSA-N 2 0 345.531 2.824 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622570 1311934021 /nfs/dbraw/zinc/93/40/21/1311934021.db2.gz QCOHMOJMHYRGIK-UHFFFAOYSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048584376 1311934770 /nfs/dbraw/zinc/93/47/70/1311934770.db2.gz ZFGQLWHMXOEEKI-BJWYYQGGSA-N 2 0 342.487 2.697 20 30 EFEDRP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161674573 1311948029 /nfs/dbraw/zinc/94/80/29/1311948029.db2.gz NIVXPVUCHHPUCW-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001228602619 1311968747 /nfs/dbraw/zinc/96/87/47/1311968747.db2.gz IFAUABVAXWVKCV-MDZRGWNJSA-N 2 0 339.499 2.792 20 30 EFEDRP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161864134 1311991020 /nfs/dbraw/zinc/99/10/20/1311991020.db2.gz YFXOOZROMWWWRL-LJQANCHMSA-N 2 0 333.520 2.823 20 30 EFEDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1 ZINC000902802610 1312119200 /nfs/dbraw/zinc/11/92/00/1312119200.db2.gz PMGOMTHJDYCPQA-ICSRJNTNSA-N 2 0 326.488 2.767 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001229609339 1312119502 /nfs/dbraw/zinc/11/95/02/1312119502.db2.gz BJDFTBSHOFZCKK-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(C#N)c1 ZINC000902880460 1312176136 /nfs/dbraw/zinc/17/61/36/1312176136.db2.gz ITPZRZBGBMDGEK-XUVXKRRUSA-N 2 0 327.472 2.977 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001162826332 1312185014 /nfs/dbraw/zinc/18/50/14/1312185014.db2.gz CNENFSFZWHGLPV-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001162826330 1312185270 /nfs/dbraw/zinc/18/52/70/1312185270.db2.gz CNENFSFZWHGLPV-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](F)C[NH+](CC)CC ZINC001162826545 1312185301 /nfs/dbraw/zinc/18/53/01/1312185301.db2.gz GQXCSPXEGAHBKB-LJQANCHMSA-N 2 0 349.494 2.513 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001162836805 1312187243 /nfs/dbraw/zinc/18/72/43/1312187243.db2.gz QSOGLKWSIGJDFW-FQEVSTJZSA-N 2 0 345.531 2.810 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001162840804 1312187947 /nfs/dbraw/zinc/18/79/47/1312187947.db2.gz BGTWUVRMTWVJQD-FQEVSTJZSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001162911011 1312202273 /nfs/dbraw/zinc/20/22/73/1312202273.db2.gz BVUUCVLUETVBJH-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603270 1312208627 /nfs/dbraw/zinc/20/86/27/1312208627.db2.gz QJSFNWYWCHHPIU-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603267 1312208854 /nfs/dbraw/zinc/20/88/54/1312208854.db2.gz QJSFNWYWCHHPIU-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CCC=C)CC1 ZINC001230251868 1312210826 /nfs/dbraw/zinc/21/08/26/1312210826.db2.gz NRYXYBPQXFWWOE-DFQSSKMNSA-N 2 0 345.531 2.703 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960439 1312212476 /nfs/dbraw/zinc/21/24/76/1312212476.db2.gz SPSGFJKYSJFKBE-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001163002157 1312223486 /nfs/dbraw/zinc/22/34/86/1312223486.db2.gz XJOHCDIMQXQLPH-FQEVSTJZSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC001163006739 1312224360 /nfs/dbraw/zinc/22/43/60/1312224360.db2.gz KNHCTRZJJQRTEH-UHFFFAOYSA-N 2 0 331.504 2.564 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H](C)CC(C)C)CC2)CC1 ZINC001230354678 1312227974 /nfs/dbraw/zinc/22/79/74/1312227974.db2.gz HELJRNMGMPUOTQ-GOSISDBHSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCCCC=C)CC2)CC1 ZINC001230355404 1312228196 /nfs/dbraw/zinc/22/81/96/1312228196.db2.gz ZXGADJPUBWGTJC-UHFFFAOYSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001230572854 1312268945 /nfs/dbraw/zinc/26/89/45/1312268945.db2.gz UWKSATVBSYMHGU-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001230572858 1312269486 /nfs/dbraw/zinc/26/94/86/1312269486.db2.gz UWKSATVBSYMHGU-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230574376 1312269919 /nfs/dbraw/zinc/26/99/19/1312269919.db2.gz CIGJSYMGEAQNFA-GOSISDBHSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001230574908 1312270558 /nfs/dbraw/zinc/27/05/58/1312270558.db2.gz IPBLUYCOBVQJAN-GOSISDBHSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001163249063 1312273586 /nfs/dbraw/zinc/27/35/86/1312273586.db2.gz VEVSTUICMABEDB-KRWDZBQOSA-N 2 0 331.504 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598615 1312278835 /nfs/dbraw/zinc/27/88/35/1312278835.db2.gz UUMFVCOXEWSEKK-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230606741 1312281555 /nfs/dbraw/zinc/28/15/55/1312281555.db2.gz ZKOJTYZSOWEZKX-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C[NH+](C)CC1CCC(Nc2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001163296316 1312283982 /nfs/dbraw/zinc/28/39/82/1312283982.db2.gz FOUQCZVBYVEADP-UHFFFAOYSA-N 2 0 327.476 2.521 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230619538 1312286649 /nfs/dbraw/zinc/28/66/49/1312286649.db2.gz ZYQNCGRRAICXNB-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114778 1312473085 /nfs/dbraw/zinc/47/30/85/1312473085.db2.gz PKLFYGJTZZXLGW-HDICACEKSA-N 2 0 347.890 2.505 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556198 1312538741 /nfs/dbraw/zinc/53/87/41/1312538741.db2.gz SCPNMYMJFYBHKQ-IBGZPJMESA-N 2 0 347.547 2.951 20 30 EFEDRP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231822086 1312570809 /nfs/dbraw/zinc/57/08/09/1312570809.db2.gz VBQLBFJYEAEXET-KDURUIRLSA-N 2 0 326.488 2.810 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001165293675 1312604438 /nfs/dbraw/zinc/60/44/38/1312604438.db2.gz RRKLCMHFMDZQFF-UHFFFAOYSA-N 2 0 335.517 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165456036 1312632711 /nfs/dbraw/zinc/63/27/11/1312632711.db2.gz OVECJIHUVIOCMN-INIZCTEOSA-N 2 0 341.927 2.593 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126982 1314437694 /nfs/dbraw/zinc/43/76/94/1314437694.db2.gz XNNWUZHFWUFMSR-INIZCTEOSA-N 2 0 327.900 2.586 20 30 EFEDRP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052860881 1314428766 /nfs/dbraw/zinc/42/87/66/1314428766.db2.gz YYKOFOABLCVDPB-RBUKOAKNSA-N 2 0 333.520 2.635 20 30 EFEDRP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052860880 1314428962 /nfs/dbraw/zinc/42/89/62/1314428962.db2.gz YYKOFOABLCVDPB-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250935 1314463474 /nfs/dbraw/zinc/46/34/74/1314463474.db2.gz YPLGRJIWWJVOHT-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001211307034 1314472912 /nfs/dbraw/zinc/47/29/12/1314472912.db2.gz MIXZQZZWSCHFQO-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052956274 1314516254 /nfs/dbraw/zinc/51/62/54/1314516254.db2.gz RAYCVCIQEMZNCS-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967625 1314526477 /nfs/dbraw/zinc/52/64/77/1314526477.db2.gz KWMBQXPPZTZRJM-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245976096 1314558069 /nfs/dbraw/zinc/55/80/69/1314558069.db2.gz CRGGBRPVHUJFSN-WJFTUGDTSA-N 2 0 326.525 2.702 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001245976766 1314558207 /nfs/dbraw/zinc/55/82/07/1314558207.db2.gz FNFUMFWFIIMTCP-GBESFXJTSA-N 2 0 326.525 2.989 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]CCCN1CC[NH2+]CC1 ZINC001245979077 1314558408 /nfs/dbraw/zinc/55/84/08/1314558408.db2.gz HMZAXGPCJIXQJH-IBGZPJMESA-N 2 0 327.557 2.763 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245981440 1314558933 /nfs/dbraw/zinc/55/89/33/1314558933.db2.gz GZADJSLYWZYSAD-HCXYKTFWSA-N 2 0 326.525 2.702 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987470 1314559847 /nfs/dbraw/zinc/55/98/47/1314559847.db2.gz SCQGGDVIBCQQLM-ROUUACIJSA-N 2 0 325.541 2.562 20 30 EFEDRP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001245997097 1314562113 /nfs/dbraw/zinc/56/21/13/1314562113.db2.gz UEZFEPXEQZIXKN-ZWKOTPCHSA-N 2 0 326.525 2.846 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H](O)C1CC[NH2+]CC1 ZINC001246005605 1314564753 /nfs/dbraw/zinc/56/47/53/1314564753.db2.gz VVXQDVLWQPMUTN-RBUKOAKNSA-N 2 0 328.541 2.828 20 30 EFEDRP CCCCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021065 1314568001 /nfs/dbraw/zinc/56/80/01/1314568001.db2.gz LDGHFJAOBYIXEJ-FHWLQOOXSA-N 2 0 328.541 2.910 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048310 1314574662 /nfs/dbraw/zinc/57/46/62/1314574662.db2.gz WQXQMKXGDNTYPJ-MHYDHLEJSA-N 2 0 326.525 2.784 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC001246049700 1314574827 /nfs/dbraw/zinc/57/48/27/1314574827.db2.gz SLXXNHNXJUAHLT-LJQANCHMSA-N 2 0 327.557 2.715 20 30 EFEDRP CCCCCCCC[C@H](O)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001246057709 1314576153 /nfs/dbraw/zinc/57/61/53/1314576153.db2.gz GGIVCPMZTHJFIB-IBGZPJMESA-N 2 0 327.557 2.714 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747003 1314597810 /nfs/dbraw/zinc/59/78/10/1314597810.db2.gz AZEHWHVECCSCML-QZTJIDSGSA-N 2 0 341.540 2.504 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028343 1314599400 /nfs/dbraw/zinc/59/94/00/1314599400.db2.gz LEVFQFPPFZEBMQ-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029933 1314602545 /nfs/dbraw/zinc/60/25/45/1314602545.db2.gz YLTOQVQBOVIGAO-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[C@H](CC)[NH2+]CCOCCOCCOCC[NH3+] ZINC001246282647 1314606042 /nfs/dbraw/zinc/60/60/42/1314606042.db2.gz BYVQYBFUBVNTOL-SFHVURJKSA-N 2 0 332.529 2.724 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001246303888 1314608663 /nfs/dbraw/zinc/60/86/63/1314608663.db2.gz JLGOOUKZNDPPSO-MRXNPFEDSA-N 2 0 329.444 2.586 20 30 EFEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329332 1314611169 /nfs/dbraw/zinc/61/11/69/1314611169.db2.gz VANDRVUWJUYAPG-TYILLQQXSA-N 2 0 338.455 2.834 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053042248 1314622593 /nfs/dbraw/zinc/62/25/93/1314622593.db2.gz OWPXFIHOOPGWLO-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C[C@H]1CC[C@H](N(Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246443007 1314629837 /nfs/dbraw/zinc/62/98/37/1314629837.db2.gz SCTXAEZWPMHAQJ-KNTRFNDTSA-N 2 0 326.488 2.771 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050119 1314636393 /nfs/dbraw/zinc/63/63/93/1314636393.db2.gz COPCWOXXKKXQGB-PMACEKPBSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C1C[C@@H]2CC([NH2+][C@@H](CCCC[NH3+])C(=O)N3CCCC3)C[C@H](C1)C2 ZINC001246519762 1314641265 /nfs/dbraw/zinc/64/12/65/1314641265.db2.gz OHZZMSLMPXGDOS-SWDXFRIISA-N 2 0 333.520 2.831 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001053053951 1314643884 /nfs/dbraw/zinc/64/38/84/1314643884.db2.gz FNPIIUONXXGASF-VQTJNVASSA-N 2 0 347.547 2.999 20 30 EFEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246545116 1314646008 /nfs/dbraw/zinc/64/60/08/1314646008.db2.gz SZWXRNVLFQBICD-SOAGJPPSSA-N 2 0 345.462 2.705 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053087931 1314694930 /nfs/dbraw/zinc/69/49/30/1314694930.db2.gz PBZVUPUXRGIBLH-UYAOXDASSA-N 2 0 345.531 2.587 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880094 1314701894 /nfs/dbraw/zinc/70/18/94/1314701894.db2.gz PVXYMAUMEPFMCE-WTOYTKOKSA-N 2 0 331.463 2.962 20 30 EFEDRP CCCCCCC[C@@H](CCC)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923652 1314708982 /nfs/dbraw/zinc/70/89/82/1314708982.db2.gz DOTYHPKWSSNHAN-GOSISDBHSA-N 3 0 342.572 2.631 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100700 1314717051 /nfs/dbraw/zinc/71/70/51/1314717051.db2.gz ITKLOGFBWYUDSU-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100695 1314717322 /nfs/dbraw/zinc/71/73/22/1314717322.db2.gz ITKLOGFBWYUDSU-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105414 1314728246 /nfs/dbraw/zinc/72/82/46/1314728246.db2.gz OIIZDTXZBJZVRE-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108283 1314733009 /nfs/dbraw/zinc/73/30/09/1314733009.db2.gz RSZWCDNKNIALRX-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108280 1314733201 /nfs/dbraw/zinc/73/32/01/1314733201.db2.gz RSZWCDNKNIALRX-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248073 1314818569 /nfs/dbraw/zinc/81/85/69/1314818569.db2.gz LUGDPFQKNBTLBB-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387208 1314828154 /nfs/dbraw/zinc/82/81/54/1314828154.db2.gz JQBARXWTWKHZNZ-BHIYHBOVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215557771 1314851314 /nfs/dbraw/zinc/85/13/14/1314851314.db2.gz CCVSYOFGASZVEY-UYAOXDASSA-N 2 0 343.515 2.564 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216349225 1314943244 /nfs/dbraw/zinc/94/32/44/1314943244.db2.gz VLFWMCMDQFTQNL-OLMNPRSZSA-N 2 0 349.906 2.868 20 30 EFEDRP CCc1cc(C#N)ccc1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001248752880 1314958428 /nfs/dbraw/zinc/95/84/28/1314958428.db2.gz GHPJLBRCRGTUES-UHFFFAOYSA-N 2 0 340.515 2.580 20 30 EFEDRP COCCN(Cc1cc2ccc(C#N)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001249429290 1315072327 /nfs/dbraw/zinc/07/23/27/1315072327.db2.gz VAAYSIWNJWIMJZ-UHFFFAOYSA-N 2 0 326.444 2.582 20 30 EFEDRP c1ccc([S+](CCO[C@H]2C[NH2+]CCOC2)c2ccccc2)cc1 ZINC001217785626 1315113225 /nfs/dbraw/zinc/11/32/25/1315113225.db2.gz OJMXLMHYPSTLTK-KRWDZBQOSA-N 2 0 330.473 2.728 20 30 EFEDRP C=C1CC[NH2+]C[C@@H]1OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001217833738 1315116194 /nfs/dbraw/zinc/11/61/94/1315116194.db2.gz YZKYVRRUBBHMLB-PZJWPPBQSA-N 2 0 344.499 2.991 20 30 EFEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218457285 1315199762 /nfs/dbraw/zinc/19/97/62/1315199762.db2.gz JUFBCHYSOJPTNF-UYAOXDASSA-N 2 0 329.488 2.685 20 30 EFEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001218558485 1315215095 /nfs/dbraw/zinc/21/50/95/1315215095.db2.gz GWCLLTSTNQDLLZ-HNNXBMFYSA-N 2 0 333.480 2.549 20 30 EFEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001219468205 1315317344 /nfs/dbraw/zinc/31/73/44/1315317344.db2.gz XMZBIBIVKKJSHW-INIZCTEOSA-N 2 0 339.443 2.541 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144614 1315362446 /nfs/dbraw/zinc/36/24/46/1315362446.db2.gz AMTHVJMCPJEHER-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001054147145 1315367530 /nfs/dbraw/zinc/36/75/30/1315367530.db2.gz LGNNDSLBIDPVRO-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153611 1315379514 /nfs/dbraw/zinc/37/95/14/1315379514.db2.gz UYJCSERSVNWSCS-WMZOPIPTSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158621 1315385810 /nfs/dbraw/zinc/38/58/10/1315385810.db2.gz NTVUKXOZRSKNMI-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164222 1315395182 /nfs/dbraw/zinc/39/51/82/1315395182.db2.gz DNEVMVVWKAFSKX-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169917 1315404068 /nfs/dbraw/zinc/40/40/68/1315404068.db2.gz AOJPTOWMWGEWPE-FPOVZHCZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174235 1315409743 /nfs/dbraw/zinc/40/97/43/1315409743.db2.gz KOCYHRYVZSDRCA-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182457 1315423068 /nfs/dbraw/zinc/42/30/68/1315423068.db2.gz KOZIBHFJOFHJST-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474221 1315454026 /nfs/dbraw/zinc/45/40/26/1315454026.db2.gz WTIUPJRDXZAUDC-NHCUHLMSSA-N 2 0 344.499 2.538 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001220868807 1315458542 /nfs/dbraw/zinc/45/85/42/1315458542.db2.gz VCJTWAFWVYQHKZ-PXNSSMCTSA-N 2 0 337.467 2.996 20 30 EFEDRP C=C[C@](C)(O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001252552685 1315467095 /nfs/dbraw/zinc/46/70/95/1315467095.db2.gz YKZGESVWZGSBLB-FQEVSTJZSA-N 2 0 344.499 2.599 20 30 EFEDRP C=CCC[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001252599030 1315474548 /nfs/dbraw/zinc/47/45/48/1315474548.db2.gz WGBSAKJNHJBLDK-FQEVSTJZSA-N 2 0 344.499 2.681 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219821 1315475420 /nfs/dbraw/zinc/47/54/20/1315475420.db2.gz XKFRZAZQEWJVMG-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037853 1315475570 /nfs/dbraw/zinc/47/55/70/1315475570.db2.gz WIVWHQFEEWPYKE-IBGZPJMESA-N 2 0 345.462 2.635 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134857 1315519421 /nfs/dbraw/zinc/51/94/21/1315519421.db2.gz TXNPUAPWYOVBMZ-IBGZPJMESA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137405 1315523880 /nfs/dbraw/zinc/52/38/80/1315523880.db2.gz NVGFQTNODGBDAC-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138362 1315525486 /nfs/dbraw/zinc/52/54/86/1315525486.db2.gz OVOZLQVCDSLDEC-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145237 1315538556 /nfs/dbraw/zinc/53/85/56/1315538556.db2.gz XJAHRHTXOLJFDI-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163584 1315562225 /nfs/dbraw/zinc/56/22/25/1315562225.db2.gz CWOFCVAGJFURRY-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039165060 1315563653 /nfs/dbraw/zinc/56/36/53/1315563653.db2.gz NIISCAYSUAYGSG-HKUYNNGSSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616533 1315564988 /nfs/dbraw/zinc/56/49/88/1315564988.db2.gz OIQCJRZUAAFSED-QRVBRYPASA-N 2 0 335.536 2.830 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039165300 1315565841 /nfs/dbraw/zinc/56/58/41/1315565841.db2.gz MDMXANJUPZDYQR-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167211 1315568972 /nfs/dbraw/zinc/56/89/72/1315568972.db2.gz OZIQHOMYZSPZJO-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167185 1315569237 /nfs/dbraw/zinc/56/92/37/1315569237.db2.gz NTKNFUOACGMEFU-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCCCCC[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001253241684 1315583917 /nfs/dbraw/zinc/58/39/17/1315583917.db2.gz ZHNCEJWNMGHUQY-FQEVSTJZSA-N 2 0 337.552 2.587 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001253250377 1315584527 /nfs/dbraw/zinc/58/45/27/1315584527.db2.gz XWUXNKXWIWCQJG-LJQANCHMSA-N 2 0 326.525 2.964 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182027 1315589479 /nfs/dbraw/zinc/58/94/79/1315589479.db2.gz HNYSMAXKNFUJAF-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182026 1315589517 /nfs/dbraw/zinc/58/95/17/1315589517.db2.gz HNYSMAXKNFUJAF-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182029 1315589923 /nfs/dbraw/zinc/58/99/23/1315589923.db2.gz HNYSMAXKNFUJAF-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039183132 1315591712 /nfs/dbraw/zinc/59/17/12/1315591712.db2.gz WSGCRRLZGJFNDF-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205137 1315617280 /nfs/dbraw/zinc/61/72/80/1315617280.db2.gz KZOHGOYXHXDATQ-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208321 1315621456 /nfs/dbraw/zinc/62/14/56/1315621456.db2.gz CENNCFZXPGMGQT-WMZOPIPTSA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039214738 1315631547 /nfs/dbraw/zinc/63/15/47/1315631547.db2.gz QAVJONSSJCMNQG-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001039219337 1315639364 /nfs/dbraw/zinc/63/93/64/1315639364.db2.gz SHGLUONULKPCFD-HKUYNNGSSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233680 1315657782 /nfs/dbraw/zinc/65/77/82/1315657782.db2.gz DIBUPIMCERLTDX-MSOLQXFVSA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236296 1315660774 /nfs/dbraw/zinc/66/07/74/1315660774.db2.gz YPGQSMUWVNHXCK-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001039240384 1315667237 /nfs/dbraw/zinc/66/72/37/1315667237.db2.gz VGDOLBLAIHMXQN-IRXDYDNUSA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247377 1315677602 /nfs/dbraw/zinc/67/76/02/1315677602.db2.gz VYTKISGCQJBVQP-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250280 1315681645 /nfs/dbraw/zinc/68/16/45/1315681645.db2.gz NKEDYVPNRQGSIX-HKUYNNGSSA-N 2 0 344.503 2.632 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2cncn2C)C1 ZINC001039250283 1315681896 /nfs/dbraw/zinc/68/18/96/1315681896.db2.gz NKEDYVPNRQGSIX-IEBWSBKVSA-N 2 0 344.503 2.632 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251150 1315682538 /nfs/dbraw/zinc/68/25/38/1315682538.db2.gz SZHTZLAQTLQDNN-AEFFLSMTSA-N 2 0 330.476 2.540 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254226036 1315683905 /nfs/dbraw/zinc/68/39/05/1315683905.db2.gz PTGGDMNXFMGREL-UHFFFAOYSA-N 2 0 327.463 2.856 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039282049 1315700562 /nfs/dbraw/zinc/70/05/62/1315700562.db2.gz HSUIPLMJGVEYOD-AYHJJNSGSA-N 2 0 331.504 2.550 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039301749 1315708783 /nfs/dbraw/zinc/70/87/83/1315708783.db2.gz OUWRXJSSCDDFIM-MVCQKVDPSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039302174 1315709153 /nfs/dbraw/zinc/70/91/53/1315709153.db2.gz ZHOSVZKQBUOGCP-XVLXNVKGSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517254 1315714129 /nfs/dbraw/zinc/71/41/29/1315714129.db2.gz SQCCTHDDOBNMJJ-IEBWSBKVSA-N 2 0 335.492 2.581 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039313712 1315714659 /nfs/dbraw/zinc/71/46/59/1315714659.db2.gz MEQRDIABYFEHGO-IPQPSQTFSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039313713 1315714681 /nfs/dbraw/zinc/71/46/81/1315714681.db2.gz MEQRDIABYFEHGO-XVLXNVKGSA-N 2 0 333.520 2.939 20 30 EFEDRP C[N@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254646890 1315734695 /nfs/dbraw/zinc/73/46/95/1315734695.db2.gz PSEDQFTUQBRKBD-JKSUJKDBSA-N 2 0 338.496 2.505 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039386899 1315756505 /nfs/dbraw/zinc/75/65/05/1315756505.db2.gz KNXRMHJLYYAHAN-QRVBRYPASA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039423941 1315782625 /nfs/dbraw/zinc/78/26/25/1315782625.db2.gz UGBXLCOPENZWGG-OTWHNJEPSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039448058 1315797670 /nfs/dbraw/zinc/79/76/70/1315797670.db2.gz USNKJQBNEGKWAO-QYZOEREBSA-N 2 0 333.520 2.891 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001039458042 1315805300 /nfs/dbraw/zinc/80/53/00/1315805300.db2.gz CDFZHHHLXUSGTR-HSALFYBXSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474719 1315817367 /nfs/dbraw/zinc/81/73/67/1315817367.db2.gz WTBSKECIUZBNET-CEXWTWQISA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255675784 1315856433 /nfs/dbraw/zinc/85/64/33/1315856433.db2.gz HKBKYEPXLRVIAF-AYHJJNSGSA-N 2 0 335.492 2.626 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052443827 1315947724 /nfs/dbraw/zinc/94/77/24/1315947724.db2.gz GKVQQLNXSLJTJG-IRXDYDNUSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256558640 1315958427 /nfs/dbraw/zinc/95/84/27/1315958427.db2.gz UVJACLVBNBOZKA-SFHVURJKSA-N 2 0 343.515 2.744 20 30 EFEDRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(C#N)c1 ZINC001278961261 1315985130 /nfs/dbraw/zinc/98/51/30/1315985130.db2.gz MVZLPNOBZPBHPW-BGYRXZFFSA-N 2 0 349.482 2.934 20 30 EFEDRP C[NH+]1CCN(Cc2cccc(C[NH2+]C3CCC(C#N)CC3)c2)CC1 ZINC001256953927 1316014421 /nfs/dbraw/zinc/01/44/21/1316014421.db2.gz SUMKACSCLFQAOK-UHFFFAOYSA-N 2 0 326.488 2.606 20 30 EFEDRP C=CCOC[C@@H]1CCC[C@@]12CN(C1CC[NH+](C(C)C)CC1)CCO2 ZINC001257218022 1316048400 /nfs/dbraw/zinc/04/84/00/1316048400.db2.gz XMMVMGMYXYDGMN-AZUAARDMSA-N 2 0 336.520 2.933 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258011983 1316110415 /nfs/dbraw/zinc/11/04/15/1316110415.db2.gz QVHGWWSYWHMAJN-UHFFFAOYSA-N 2 0 349.519 2.827 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207372 1316143261 /nfs/dbraw/zinc/14/32/61/1316143261.db2.gz FGJKBTDZTOMSNX-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040206916 1316143393 /nfs/dbraw/zinc/14/33/93/1316143393.db2.gz ARVYWHHPMPCYOG-PZJWPPBQSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001040241142 1316160771 /nfs/dbraw/zinc/16/07/71/1316160771.db2.gz MFFHNZOJRBEWED-TZIWHRDSSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242518 1316161855 /nfs/dbraw/zinc/16/18/55/1316161855.db2.gz YQFUDPCOASZIGG-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241871 1316161884 /nfs/dbraw/zinc/16/18/84/1316161884.db2.gz VCEHJILZSLISAE-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001258717162 1316173219 /nfs/dbraw/zinc/17/32/19/1316173219.db2.gz JGBUPWYLDRZGNC-PKOBYXMFSA-N 2 0 343.515 2.746 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258728401 1316173561 /nfs/dbraw/zinc/17/35/61/1316173561.db2.gz ORWDOLRJMWJYHD-MRXNPFEDSA-N 2 0 332.492 2.646 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001040264741 1316173656 /nfs/dbraw/zinc/17/36/56/1316173656.db2.gz QWETZEFYGTVOBN-HXUWFJFHSA-N 2 0 336.439 2.514 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258730152 1316174366 /nfs/dbraw/zinc/17/43/66/1316174366.db2.gz BJSMJDOQNGFTTO-DFQSSKMNSA-N 2 0 329.488 2.959 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CCC)CC1)C2 ZINC001258774042 1316177264 /nfs/dbraw/zinc/17/72/64/1316177264.db2.gz UQMIEMCSVAFFEH-UXHICEINSA-N 2 0 336.520 2.935 20 30 EFEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040271974 1316177374 /nfs/dbraw/zinc/17/73/74/1316177374.db2.gz WBURCXHZDKVPPZ-OAQYLSRUSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276557 1316179556 /nfs/dbraw/zinc/17/95/56/1316179556.db2.gz NKYAYODVPOJDBO-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040279894 1316180783 /nfs/dbraw/zinc/18/07/83/1316180783.db2.gz BBCZFNBYKZEPBO-FQEVSTJZSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312253 1316196656 /nfs/dbraw/zinc/19/66/56/1316196656.db2.gz AQZXAKNIMGDERT-CTNGQTDRSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347424 1316214261 /nfs/dbraw/zinc/21/42/61/1316214261.db2.gz KXDLHXUGKJLJSD-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040432167 1316262006 /nfs/dbraw/zinc/26/20/06/1316262006.db2.gz MKTQCGJFXSFIMR-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545376 1316316454 /nfs/dbraw/zinc/31/64/54/1316316454.db2.gz ONKSLGXIBSADDE-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040544782 1316317035 /nfs/dbraw/zinc/31/70/35/1316317035.db2.gz ZXYLQUXJNJNHGA-FQEVSTJZSA-N 2 0 333.520 2.753 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040699544 1316354232 /nfs/dbraw/zinc/35/42/32/1316354232.db2.gz ATKFUHAUYHAXHO-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040701379 1316354847 /nfs/dbraw/zinc/35/48/47/1316354847.db2.gz JHVPGFHWOQGTGJ-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001040703816 1316355029 /nfs/dbraw/zinc/35/50/29/1316355029.db2.gz NVZRIMHOSZFPRP-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040722233 1316360190 /nfs/dbraw/zinc/36/01/90/1316360190.db2.gz RKRLLYOBBFBHJE-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040746146 1316365670 /nfs/dbraw/zinc/36/56/70/1316365670.db2.gz WJTVNJLBHSEPKJ-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882559 1316396965 /nfs/dbraw/zinc/39/69/65/1316396965.db2.gz FSIULVUWDZISFK-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882176 1316396995 /nfs/dbraw/zinc/39/69/95/1316396995.db2.gz ACSPWTZEVTULEW-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC001040914273 1316403401 /nfs/dbraw/zinc/40/34/01/1316403401.db2.gz NFXCYJKBIHZXIM-UHFFFAOYSA-N 2 0 342.487 2.652 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC001040948745 1316409295 /nfs/dbraw/zinc/40/92/95/1316409295.db2.gz YUAFLVZROCAHIN-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072886265 1316419873 /nfs/dbraw/zinc/41/98/73/1316419873.db2.gz MNZSYARWVCVMEY-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460855 1316459842 /nfs/dbraw/zinc/45/98/42/1316459842.db2.gz ZIGJHJNCMYALFP-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276247 1316498532 /nfs/dbraw/zinc/49/85/32/1316498532.db2.gz JOYXWMORCQLZND-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286619 1316503300 /nfs/dbraw/zinc/50/33/00/1316503300.db2.gz LSBNBPPBSARMHT-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC001041286995 1316503460 /nfs/dbraw/zinc/50/34/60/1316503460.db2.gz OKENURWIVFDBSB-WIYYLYMNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358024 1316526737 /nfs/dbraw/zinc/52/67/37/1316526737.db2.gz KNTXZZPWWCPCMX-AZUAARDMSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358378 1316526996 /nfs/dbraw/zinc/52/69/96/1316526996.db2.gz NKMHXLHMENJVBH-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041394386 1316537059 /nfs/dbraw/zinc/53/70/59/1316537059.db2.gz DNFNIJHABMSFFF-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041425045 1316549444 /nfs/dbraw/zinc/54/94/44/1316549444.db2.gz RATLDEXMJYXPGD-OAQYLSRUSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041430167 1316550546 /nfs/dbraw/zinc/55/05/46/1316550546.db2.gz AXHWEKUTMLWXEA-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477218 1316562971 /nfs/dbraw/zinc/56/29/71/1316562971.db2.gz ZGJAPJBNWUKUFC-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537608 1316581199 /nfs/dbraw/zinc/58/11/99/1316581199.db2.gz ZOYAGZPOTROBRB-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586780 1316609195 /nfs/dbraw/zinc/60/91/95/1316609195.db2.gz MANWBEPQMYBWFG-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041586775 1316609410 /nfs/dbraw/zinc/60/94/10/1316609410.db2.gz MANWBEPQMYBWFG-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587834 1316609930 /nfs/dbraw/zinc/60/99/30/1316609930.db2.gz SOAWDIKJFXRUPJ-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC001041676657 1316645457 /nfs/dbraw/zinc/64/54/57/1316645457.db2.gz YYFYSCRYGVWNPT-NRFANRHFSA-N 2 0 341.499 2.515 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724342 1316666830 /nfs/dbraw/zinc/66/68/30/1316666830.db2.gz VJNLGOWJYBGRLI-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767602 1316688648 /nfs/dbraw/zinc/68/86/48/1316688648.db2.gz JOMCKBWUMQYNHV-FQEVSTJZSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041777084 1316693092 /nfs/dbraw/zinc/69/30/92/1316693092.db2.gz HICCIYXCKJPMEB-OAQYLSRUSA-N 2 0 345.531 2.609 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782235 1316696500 /nfs/dbraw/zinc/69/65/00/1316696500.db2.gz TWJWABNYUBZNSF-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782552 1316696672 /nfs/dbraw/zinc/69/66/72/1316696672.db2.gz AHEIERSTKIVWRY-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001041844279 1316730615 /nfs/dbraw/zinc/73/06/15/1316730615.db2.gz GBCPTLDSUYTQMG-OAQYLSRUSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845941 1316732050 /nfs/dbraw/zinc/73/20/50/1316732050.db2.gz SRECMZYJRPSNLK-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846074 1316732352 /nfs/dbraw/zinc/73/23/52/1316732352.db2.gz WLBSFPIHPIZJPK-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121257 1316893523 /nfs/dbraw/zinc/89/35/23/1316893523.db2.gz GAEPSTKJTJTUAN-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125240 1316896013 /nfs/dbraw/zinc/89/60/13/1316896013.db2.gz QIJQHKDKEBNLRY-PKOBYXMFSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133167 1316900854 /nfs/dbraw/zinc/90/08/54/1316900854.db2.gz IPIYJMCIBOQMPU-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042158237 1316918874 /nfs/dbraw/zinc/91/88/74/1316918874.db2.gz VYBODAXVPLIIKE-VQIMIIECSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001042234206 1316997473 /nfs/dbraw/zinc/99/74/73/1316997473.db2.gz LBJHJQMQLLXYMC-ICSRJNTNSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288701 1317095726 /nfs/dbraw/zinc/09/57/26/1317095726.db2.gz UVBUVSOZWHPIJE-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296882 1317108446 /nfs/dbraw/zinc/10/84/46/1317108446.db2.gz IDIAHWQXTHDOGB-MJGOQNOKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297921 1317112816 /nfs/dbraw/zinc/11/28/16/1317112816.db2.gz XXFSSVYUDPYEPI-AZUAARDMSA-N 2 0 347.547 2.996 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccncc2)CC3)cc1C#N ZINC001279178849 1317204779 /nfs/dbraw/zinc/20/47/79/1317204779.db2.gz PKAUJDCOGPPLGF-UHFFFAOYSA-N 2 0 349.482 2.780 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042369233 1317224253 /nfs/dbraw/zinc/22/42/53/1317224253.db2.gz VALNDHDKUDGVAW-PXNSSMCTSA-N 2 0 341.499 2.861 20 30 EFEDRP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001325753815 1329710902 /nfs/dbraw/zinc/71/09/02/1329710902.db2.gz MLFJPJAHYOAZGC-OTWHNJEPSA-N 2 0 335.536 2.831 20 30 EFEDRP CCC[N@@H+]1CC[C@H](CNC(NC[C@H]2CCCCO2)=[NH+]C(C)(C)C)C1 ZINC001335860923 1331410696 /nfs/dbraw/zinc/41/06/96/1331410696.db2.gz XXESVWORFFBWIX-IAGOWNOFSA-N 2 0 338.540 2.621 20 30 EFEDRP CON=Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnc2C)cc1 ZINC001339093105 1331788972 /nfs/dbraw/zinc/78/89/72/1331788972.db2.gz FMNCXBHLNAUERF-UHFFFAOYSA-N 2 0 335.367 2.808 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001340093069 1332138605 /nfs/dbraw/zinc/13/86/05/1332138605.db2.gz HUUVMJPLNMMNNS-QGZVFWFLSA-N 2 0 328.460 2.825 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001340822336 1332209545 /nfs/dbraw/zinc/20/95/45/1332209545.db2.gz HZAMHJVBSRGWHT-LJQANCHMSA-N 2 0 329.488 2.698 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001340840344 1332212061 /nfs/dbraw/zinc/21/20/61/1332212061.db2.gz WXGMXQYWAHZKQJ-KRWDZBQOSA-N 2 0 333.501 2.858 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001679515 1333369183 /nfs/dbraw/zinc/36/91/83/1333369183.db2.gz FOVFUSPFGOIWGD-UHFFFAOYSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001002044408 1333981985 /nfs/dbraw/zinc/98/19/85/1333981985.db2.gz BZMBJQDSSRRMEM-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506976 1334168129 /nfs/dbraw/zinc/16/81/29/1334168129.db2.gz PRVRRHJPDBWHSJ-UQPPLGOBSA-N 2 0 326.444 2.787 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001100537261 1334237629 /nfs/dbraw/zinc/23/76/29/1334237629.db2.gz NEEYVAYKOSDWJS-UHFFFAOYSA-N 2 0 343.515 2.855 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001354538110 1334363564 /nfs/dbraw/zinc/36/35/64/1334363564.db2.gz XZBBJAVGSYJPRH-QGZVFWFLSA-N 2 0 348.466 2.590 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001200839597 1334645791 /nfs/dbraw/zinc/64/57/91/1334645791.db2.gz DMPHYVUGTKLXBH-UHFFFAOYSA-N 2 0 335.517 2.970 20 30 EFEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100733143 1334692530 /nfs/dbraw/zinc/69/25/30/1334692530.db2.gz MTVDUEIHNCNWCF-UHFFFAOYSA-N 2 0 335.536 2.949 20 30 EFEDRP C[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)N1CC[NH+](C)CC1 ZINC000849074392 1335069692 /nfs/dbraw/zinc/06/96/92/1335069692.db2.gz WLSOZCQHGZEPDV-GOSISDBHSA-N 2 0 343.519 2.576 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001357571868 1335317152 /nfs/dbraw/zinc/31/71/52/1335317152.db2.gz CGAPWEBVKMRDQN-LJQANCHMSA-N 2 0 344.503 2.839 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001366400683 1337559725 /nfs/dbraw/zinc/55/97/25/1337559725.db2.gz LQJZBCSQIWENOQ-CYBMUJFWSA-N 2 0 341.908 2.614 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366421045 1337571845 /nfs/dbraw/zinc/57/18/45/1337571845.db2.gz BYPWLKKNXWALGV-HZPDHXFCSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001367232415 1338539505 /nfs/dbraw/zinc/53/95/05/1338539505.db2.gz ZOSJSKPXJVTDED-UHFFFAOYSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001367435838 1338738205 /nfs/dbraw/zinc/73/82/05/1338738205.db2.gz AFZNZEMPZXDDAI-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001368517189 1339451687 /nfs/dbraw/zinc/45/16/87/1339451687.db2.gz DDULLULVEXGXMH-INIZCTEOSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001368914995 1339858785 /nfs/dbraw/zinc/85/87/85/1339858785.db2.gz RNTIKKYQLBABRJ-OAHLLOKOSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001373037016 1340880891 /nfs/dbraw/zinc/88/08/91/1340880891.db2.gz SVROFPIDTBSIQQ-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001373929843 1341210026 /nfs/dbraw/zinc/21/00/26/1341210026.db2.gz LVNVIDQFEZSRKB-UHFFFAOYSA-N 2 0 349.906 2.877 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001375926258 1343174367 /nfs/dbraw/zinc/17/43/67/1343174367.db2.gz JTKFNRXFGAEKAM-OAHLLOKOSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001376954847 1343984861 /nfs/dbraw/zinc/98/48/61/1343984861.db2.gz JYAQHKAILYEIME-MRXNPFEDSA-N 2 0 335.879 2.552 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001377947045 1344607026 /nfs/dbraw/zinc/60/70/26/1344607026.db2.gz HVQZYBBTCVEUAI-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001378379153 1345025620 /nfs/dbraw/zinc/02/56/20/1345025620.db2.gz JBHYFYVHRVBEPW-INIZCTEOSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379167891 1345638095 /nfs/dbraw/zinc/63/80/95/1345638095.db2.gz KFPWMFQOEVYMAW-HUUCEWRRSA-N 2 0 329.916 2.591 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001380084593 1347508533 /nfs/dbraw/zinc/50/85/33/1347508533.db2.gz DHRJCFTXUMMMLQ-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001380696682 1347819474 /nfs/dbraw/zinc/81/94/74/1347819474.db2.gz AKGWHTXHIUTJIB-ULQDDVLXSA-N 2 0 343.943 2.837 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001380696745 1347819669 /nfs/dbraw/zinc/81/96/69/1347819669.db2.gz BJCMQKKTKVLKOB-ULQDDVLXSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001380860683 1347920531 /nfs/dbraw/zinc/92/05/31/1347920531.db2.gz LYZUMGKQSRUVBD-MRXNPFEDSA-N 2 0 339.911 2.774 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001382532321 1348998047 /nfs/dbraw/zinc/99/80/47/1348998047.db2.gz DIEHLEKQHMCGQB-OAHLLOKOSA-N 2 0 329.916 2.591 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382539209 1349006059 /nfs/dbraw/zinc/00/60/59/1349006059.db2.gz HUVLOHMKRQCGFS-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382541125 1349008377 /nfs/dbraw/zinc/00/83/77/1349008377.db2.gz QLAXUDGKHGCXAX-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001389752290 1353600204 /nfs/dbraw/zinc/60/02/04/1353600204.db2.gz BRGXRMYMLSPGOY-INIZCTEOSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001390160900 1353876552 /nfs/dbraw/zinc/87/65/52/1353876552.db2.gz NOJSBHOACNWWSF-QGZVFWFLSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001390265249 1353963188 /nfs/dbraw/zinc/96/31/88/1353963188.db2.gz LLODVEHGPOHQMP-UHFFFAOYSA-N 2 0 329.916 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667712 1387275202 /nfs/dbraw/zinc/27/52/02/1387275202.db2.gz MZQSQJLHIVTGTA-DOTOQJQBSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@@H]1C ZINC001391808719 1355551085 /nfs/dbraw/zinc/55/10/85/1355551085.db2.gz LFITXYCIFCKUTI-WMLDXEAASA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001392186053 1355840149 /nfs/dbraw/zinc/84/01/49/1355840149.db2.gz PDPLMZBYGCKPMO-HZPDHXFCSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001392739465 1356296643 /nfs/dbraw/zinc/29/66/43/1356296643.db2.gz WZRRTVBZHJJZAM-CVEARBPZSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001392739480 1356297130 /nfs/dbraw/zinc/29/71/30/1356297130.db2.gz WZRRTVBZHJJZAM-JKSUJKDBSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001394705004 1358030800 /nfs/dbraw/zinc/03/08/00/1358030800.db2.gz YQOSJOCRWYRTOO-IRXDYDNUSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060668 1387390919 /nfs/dbraw/zinc/39/09/19/1387390919.db2.gz RDYFMZVZMNPELZ-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001402413328 1363673331 /nfs/dbraw/zinc/67/33/31/1363673331.db2.gz SMZXLLYNTIUMSS-WKILWMFISA-N 2 0 341.927 2.593 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001402771011 1364019434 /nfs/dbraw/zinc/01/94/34/1364019434.db2.gz CTPNUOZDVSKTFI-NVXWUHKLSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001403782856 1364933357 /nfs/dbraw/zinc/93/33/57/1364933357.db2.gz AZYVBQDBNYVUMZ-WMZOPIPTSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001403782852 1364933945 /nfs/dbraw/zinc/93/39/45/1364933945.db2.gz AZYVBQDBNYVUMZ-SJLPKXTDSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001405484391 1366232554 /nfs/dbraw/zinc/23/25/54/1366232554.db2.gz VEQPZPSREPVMCE-KSSFIOAISA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001406173847 1367367753 /nfs/dbraw/zinc/36/77/53/1367367753.db2.gz CNOLKABUCIQRLY-DLBZAZTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174365 1368541519 /nfs/dbraw/zinc/54/15/19/1368541519.db2.gz QWPAHXHMWJNMDN-JKSUJKDBSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001421550227 1378795539 /nfs/dbraw/zinc/79/55/39/1378795539.db2.gz OITUJBKPTDALIP-XIRDDKMYSA-N 2 0 341.927 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001438430878 1388592244 /nfs/dbraw/zinc/59/22/44/1388592244.db2.gz DNXZFXARFTVJEE-KDOFPFPSSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001421804672 1379153350 /nfs/dbraw/zinc/15/33/50/1379153350.db2.gz NJTNMCUTCCEBPC-INIZCTEOSA-N 2 0 341.927 2.878 20 30 EFEDRP CC[NH+]1CCC(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC001423196740 1381555924 /nfs/dbraw/zinc/55/59/24/1381555924.db2.gz LQOXAONBLWUJLG-UHFFFAOYSA-N 2 0 328.504 2.654 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cccc2nccn21)C1CCCC1 ZINC001423553418 1382056321 /nfs/dbraw/zinc/05/63/21/1382056321.db2.gz YCEPBXBFKUSCQY-OAHLLOKOSA-N 2 0 346.862 2.965 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001447769184 1391754801 /nfs/dbraw/zinc/75/48/01/1391754801.db2.gz DJHIIDGBTUXAJR-DLBZAZTESA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001496624265 1400878414 /nfs/dbraw/zinc/87/84/14/1400878414.db2.gz WAFHGYBDNQJVNR-INIZCTEOSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001496865572 1401061596 /nfs/dbraw/zinc/06/15/96/1401061596.db2.gz XQORXWNZUQOBNN-HOTGVXAUSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505408687 1404566110 /nfs/dbraw/zinc/56/61/10/1404566110.db2.gz KTCWMWZVYWNZHB-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001717707467 1419519967 /nfs/dbraw/zinc/51/99/67/1419519967.db2.gz VJWZVYGVFRFFLY-IBGZPJMESA-N 2 0 329.488 2.665 20 30 EFEDRP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC000969118419 712912530 /nfs/dbraw/zinc/91/25/30/712912530.db2.gz OMAOKABPRJOCQV-MRXNPFEDSA-N 2 0 330.476 2.698 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153921 712940587 /nfs/dbraw/zinc/94/05/87/712940587.db2.gz SJARTEIXIPDKRV-HXUWFJFHSA-N 2 0 341.499 2.746 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153920 712940598 /nfs/dbraw/zinc/94/05/98/712940598.db2.gz SJARTEIXIPDKRV-FQEVSTJZSA-N 2 0 341.499 2.746 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969155503 712942263 /nfs/dbraw/zinc/94/22/63/712942263.db2.gz AGLMWJLIFVBXIT-IBGZPJMESA-N 2 0 341.499 2.746 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000969158753 712943942 /nfs/dbraw/zinc/94/39/42/712943942.db2.gz SJRVTXJLJBXTNW-QGZVFWFLSA-N 2 0 345.487 2.729 20 30 EFEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683425 713217563 /nfs/dbraw/zinc/21/75/63/713217563.db2.gz ZYXYXTMRTGKDFN-IAGOWNOFSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969834336 713275976 /nfs/dbraw/zinc/27/59/76/713275976.db2.gz XVBWMEFVNPDOJD-APWZRJJASA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159248 713602286 /nfs/dbraw/zinc/60/22/86/713602286.db2.gz IGMNZKNQSNNAOY-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC000980224525 717924613 /nfs/dbraw/zinc/92/46/13/717924613.db2.gz ZYQCWJFLUPLOEB-ZCNNSNEGSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980216382 717929899 /nfs/dbraw/zinc/92/98/99/717929899.db2.gz JOYVPDCYNSGCMB-XUVXKRRUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980216139 717929280 /nfs/dbraw/zinc/92/92/80/717929280.db2.gz QNIANKLTLDOITF-BBWFWOEESA-N 2 0 342.487 2.554 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205139 713918613 /nfs/dbraw/zinc/91/86/13/713918613.db2.gz KZOHGOYXHXDATQ-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604042 714164574 /nfs/dbraw/zinc/16/45/74/714164574.db2.gz AFJSPBKQYANXCF-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970953589 714177541 /nfs/dbraw/zinc/17/75/41/714177541.db2.gz HCZIFGAWIJDJHG-HNNXBMFYSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634577 714212226 /nfs/dbraw/zinc/21/22/26/714212226.db2.gz CJZNTTXHSJIASA-APWZRJJASA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039288749 714261026 /nfs/dbraw/zinc/26/10/26/714261026.db2.gz GQGRNRXGDLBZBJ-HMQMGEFJSA-N 2 0 339.911 2.581 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669939 714271665 /nfs/dbraw/zinc/27/16/65/714271665.db2.gz IPXYXTSLJJMWIO-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683278 714297538 /nfs/dbraw/zinc/29/75/38/714297538.db2.gz XLRCPPUAUUNRSM-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691664 714316473 /nfs/dbraw/zinc/31/64/73/714316473.db2.gz QMRMXVCTDVRCAD-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021738504 714398937 /nfs/dbraw/zinc/39/89/37/714398937.db2.gz BQRMJCCWJMCWPZ-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000104162740 715254407 /nfs/dbraw/zinc/25/44/07/715254407.db2.gz GTAOOCKYQRLUFM-KRWDZBQOSA-N 2 0 346.519 2.892 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(C[NH+](C)C)c2)c1 ZINC000104171758 715254429 /nfs/dbraw/zinc/25/44/29/715254429.db2.gz LPYZHTGVSUXGTF-UHFFFAOYSA-N 2 0 342.443 2.692 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C(C)(C)C1 ZINC000975044051 715447442 /nfs/dbraw/zinc/44/74/42/715447442.db2.gz WYBWZBQMJXDZLP-SJLPKXTDSA-N 2 0 344.503 2.547 20 30 EFEDRP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027409027 715699354 /nfs/dbraw/zinc/69/93/54/715699354.db2.gz BORCQXJBNOHYLH-HZPDHXFCSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972337732 715714103 /nfs/dbraw/zinc/71/41/03/715714103.db2.gz BQKWQBWLPRUCFI-IBGZPJMESA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472100 715929983 /nfs/dbraw/zinc/92/99/83/715929983.db2.gz MZSZIKJXLYFMMU-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[NH+]2CCC(O)CC2)cc1 ZINC000303907638 724434203 /nfs/dbraw/zinc/43/42/03/724434203.db2.gz WZTIZQFVJABTHT-OAHLLOKOSA-N 2 0 332.492 2.774 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027473593 715942464 /nfs/dbraw/zinc/94/24/64/715942464.db2.gz OUSSVQLQQAQZNX-IRXDYDNUSA-N 2 0 341.927 2.782 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000303982193 724441479 /nfs/dbraw/zinc/44/14/79/724441479.db2.gz PWHMRLFUQGYARV-HOTGVXAUSA-N 2 0 331.508 2.563 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485988 716028666 /nfs/dbraw/zinc/02/86/66/716028666.db2.gz PLJBOQNYIHOMBE-JKSUJKDBSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027647315 716306313 /nfs/dbraw/zinc/30/63/13/716306313.db2.gz NMAMFBFSLIPSQY-ICSRJNTNSA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646332 716312944 /nfs/dbraw/zinc/31/29/44/716312944.db2.gz FKUUKVISETXPOP-TZIWHRDSSA-N 2 0 343.515 2.962 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001027646331 716313522 /nfs/dbraw/zinc/31/35/22/716313522.db2.gz FKUUKVISETXPOP-PZJWPPBQSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641289 716432582 /nfs/dbraw/zinc/43/25/82/716432582.db2.gz NDGIMRXBNIOGKM-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)CN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977646170 716438155 /nfs/dbraw/zinc/43/81/55/716438155.db2.gz VXPQAZUBTOIALD-KRWDZBQOSA-N 2 0 349.906 2.941 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654938 716446634 /nfs/dbraw/zinc/44/66/34/716446634.db2.gz NJEJAKAVQOMPJG-IBGZPJMESA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978803243 716456280 /nfs/dbraw/zinc/45/62/80/716456280.db2.gz YBPBHXHQWLHREQ-OKYOBFRVSA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454358 716489953 /nfs/dbraw/zinc/48/99/53/716489953.db2.gz SZEIZNQCNFGCFH-INIZCTEOSA-N 2 0 326.444 2.661 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552246 716615280 /nfs/dbraw/zinc/61/52/80/716615280.db2.gz BQHVYGLDNMCKTC-QUCCMNQESA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552725 716615852 /nfs/dbraw/zinc/61/58/52/716615852.db2.gz MBILSASEZJRMKZ-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588841 716661646 /nfs/dbraw/zinc/66/16/46/716661646.db2.gz MYFDZYFIJMYCRB-LJQANCHMSA-N 2 0 343.515 2.809 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646450 716765059 /nfs/dbraw/zinc/76/50/59/716765059.db2.gz NGDHFQWWRVDMLQ-SFHVURJKSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023647033 716765466 /nfs/dbraw/zinc/76/54/66/716765466.db2.gz SXXPIXHCGUDYJN-SFHVURJKSA-N 2 0 329.488 2.766 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769963 716990871 /nfs/dbraw/zinc/99/08/71/716990871.db2.gz MLCNJXXDKNGPPB-QGZVFWFLSA-N 2 0 345.487 2.587 20 30 EFEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176968472 717331632 /nfs/dbraw/zinc/33/16/32/717331632.db2.gz NSOLVYLALOMIDJ-GFCCVEGCSA-N 2 0 346.397 2.720 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440080 717738289 /nfs/dbraw/zinc/73/82/89/717738289.db2.gz KGGCKAMLXQADEK-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440376 717738591 /nfs/dbraw/zinc/73/85/91/717738591.db2.gz ORJADLVMIXAOJD-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479264 717792639 /nfs/dbraw/zinc/79/26/39/717792639.db2.gz CYWRXNVATNRMHB-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980144965 717793742 /nfs/dbraw/zinc/79/37/42/717793742.db2.gz RWCPYZAVPUVURA-OKZBNKHCSA-N 2 0 338.455 2.741 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024487141 717810794 /nfs/dbraw/zinc/81/07/94/717810794.db2.gz NFDLZGUMUHNDRQ-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168370 717834892 /nfs/dbraw/zinc/83/48/92/717834892.db2.gz NKLLNIVNXKSGAB-KSZLIROESA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980182218 717850856 /nfs/dbraw/zinc/85/08/56/717850856.db2.gz CDXVWBQFUNCMJO-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980173741 717857482 /nfs/dbraw/zinc/85/74/82/717857482.db2.gz SRDLZJCAFCEVEG-OKZBNKHCSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980173739 717857711 /nfs/dbraw/zinc/85/77/11/717857711.db2.gz SRDLZJCAFCEVEG-KSZLIROESA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187566 717875941 /nfs/dbraw/zinc/87/59/41/717875941.db2.gz OZFQYDILOMGCOQ-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980187963 717876993 /nfs/dbraw/zinc/87/69/93/717876993.db2.gz KWKZOGUOGWTGLL-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980188863 717877511 /nfs/dbraw/zinc/87/75/11/717877511.db2.gz UKTPPTDKRFAJAM-SLFFLAALSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980188865 717877664 /nfs/dbraw/zinc/87/76/64/717877664.db2.gz UKTPPTDKRFAJAM-XUVXKRRUSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947722906 717884035 /nfs/dbraw/zinc/88/40/35/717884035.db2.gz NBPHYXCLWYVNGW-LPHOPBHVSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649384 718062782 /nfs/dbraw/zinc/06/27/82/718062782.db2.gz SRPDAOOECNHXMA-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913910 718071600 /nfs/dbraw/zinc/07/16/00/718071600.db2.gz PPISMUUTAKEBRC-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)(C)C)CC1 ZINC001024812419 718175415 /nfs/dbraw/zinc/17/54/15/718175415.db2.gz OSHYOMRFWGIIDE-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(CC)CC)CC1 ZINC001024812608 718175568 /nfs/dbraw/zinc/17/55/68/718175568.db2.gz PZBOJFPJNKWFLQ-FQEVSTJZSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024818954 718179863 /nfs/dbraw/zinc/17/98/63/718179863.db2.gz ITMDRXVLPRUEMP-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000985497248 724495656 /nfs/dbraw/zinc/49/56/56/724495656.db2.gz UPJKNUVTPOHVBH-DLBZAZTESA-N 2 0 339.911 2.679 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025240496 718460237 /nfs/dbraw/zinc/46/02/37/718460237.db2.gz PGAYXQJBZTXNAW-ROUUACIJSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253548 718479381 /nfs/dbraw/zinc/47/93/81/718479381.db2.gz WABYMQVSFIUSMD-QZTJIDSGSA-N 2 0 344.503 2.774 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265282 718486312 /nfs/dbraw/zinc/48/63/12/718486312.db2.gz DYBRKCSJISUHCB-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045356 718489561 /nfs/dbraw/zinc/48/95/61/718489561.db2.gz FLZWBJNKXIPXEV-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028049410 718508116 /nfs/dbraw/zinc/50/81/16/718508116.db2.gz RWMUHRADDXAPMW-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025288916 718526370 /nfs/dbraw/zinc/52/63/70/718526370.db2.gz MQGPCKMQWUQHMN-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981229576 718535186 /nfs/dbraw/zinc/53/51/86/718535186.db2.gz YTGVKZAZNHQJPC-CABCVRRESA-N 2 0 332.835 2.717 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238255 718542825 /nfs/dbraw/zinc/54/28/25/718542825.db2.gz HFKQOCRVNJIADR-MSOLQXFVSA-N 2 0 329.488 2.607 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433284 718836996 /nfs/dbraw/zinc/83/69/96/718836996.db2.gz MFPFXTGAUMGVEU-CVEARBPZSA-N 2 0 347.528 2.663 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766854 719014786 /nfs/dbraw/zinc/01/47/86/719014786.db2.gz ARQLHWUZGCQPEF-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766853 719015091 /nfs/dbraw/zinc/01/50/91/719015091.db2.gz ARQLHWUZGCQPEF-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558334 719124925 /nfs/dbraw/zinc/12/49/25/719124925.db2.gz MIWOMPGDENZIJO-PXNSSMCTSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583673 719165089 /nfs/dbraw/zinc/16/50/89/719165089.db2.gz AXXYSWZQKQDBBC-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025593861 719190083 /nfs/dbraw/zinc/19/00/83/719190083.db2.gz WLDCYIGSFZBFTR-PXNSSMCTSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628685 719251629 /nfs/dbraw/zinc/25/16/29/719251629.db2.gz TYYJOLZRVQMLLJ-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052615 719506985 /nfs/dbraw/zinc/50/69/85/719506985.db2.gz SASRCYYSMCJKHD-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052614 719507422 /nfs/dbraw/zinc/50/74/22/719507422.db2.gz SASRCYYSMCJKHD-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062733 719516761 /nfs/dbraw/zinc/51/67/61/719516761.db2.gz CZZHUOYCHKZQER-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062735 719516978 /nfs/dbraw/zinc/51/69/78/719516978.db2.gz CZZHUOYCHKZQER-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982100066 719555165 /nfs/dbraw/zinc/55/51/65/719555165.db2.gz RZGJISWPYHPBMM-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099800 719555346 /nfs/dbraw/zinc/55/53/46/719555346.db2.gz JTSFXKFHSQJDDZ-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116258 719573616 /nfs/dbraw/zinc/57/36/16/719573616.db2.gz IMMLDRXQPWVNCC-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC000982161571 719620450 /nfs/dbraw/zinc/62/04/50/719620450.db2.gz WJOKBFXZYUCBPA-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982281501 719796199 /nfs/dbraw/zinc/79/61/99/719796199.db2.gz ZCWOMXNWMHEEFG-OYRHEFFESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292535 719822991 /nfs/dbraw/zinc/82/29/91/719822991.db2.gz NWVJCKDIOYZHMQ-NRSPTQNISA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295268 719835906 /nfs/dbraw/zinc/83/59/06/719835906.db2.gz PDTNAUUAJWPQGE-SESVDKBCSA-N 2 0 347.547 2.711 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306482 719875908 /nfs/dbraw/zinc/87/59/08/719875908.db2.gz RYYMAVJFJPIIGN-UKAVVXHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1 ZINC000982344318 719944997 /nfs/dbraw/zinc/94/49/97/719944997.db2.gz ZOWOYRFTDPBTPJ-BGYRXZFFSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982427422 720046057 /nfs/dbraw/zinc/04/60/57/720046057.db2.gz ABULESQYBJNADI-OYRHEFFESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001026298827 720179939 /nfs/dbraw/zinc/17/99/39/720179939.db2.gz QKHIUMJUWUNYEB-CGTJXYLNSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001026313145 720212852 /nfs/dbraw/zinc/21/28/52/720212852.db2.gz HPVAAOIEHYOTIY-RRQGHBQHSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]12 ZINC001026313146 720213021 /nfs/dbraw/zinc/21/30/21/720213021.db2.gz HPVAAOIEHYOTIY-XOKHGSTOSA-N 2 0 344.846 2.527 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001026560253 720753413 /nfs/dbraw/zinc/75/34/13/720753413.db2.gz IMPZRXLWOWBHCE-UHFFFAOYSA-N 2 0 329.488 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982617510 720942240 /nfs/dbraw/zinc/94/22/40/720942240.db2.gz OCFOHKCEIJXDQC-OYRHEFFESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600068 721199154 /nfs/dbraw/zinc/19/91/54/721199154.db2.gz GECKAVXCYGYKDA-AEFFLSMTSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982830867 721301456 /nfs/dbraw/zinc/30/14/56/721301456.db2.gz BOORBXNLBXISLV-BGYRXZFFSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831077 721302800 /nfs/dbraw/zinc/30/28/00/721302800.db2.gz GBDXAWQNVIWJSQ-OYRHEFFESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)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 ZINC000982831416 721303962 /nfs/dbraw/zinc/30/39/62/721303962.db2.gz KYORPRKPOZKFIV-UKAVVXHISA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833001 721307225 /nfs/dbraw/zinc/30/72/25/721307225.db2.gz AOHXSKRVEGYCBR-NRSPTQNISA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862687 721484605 /nfs/dbraw/zinc/48/46/05/721484605.db2.gz KXFUSAWUEJBYAR-IBGZPJMESA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862804 721484839 /nfs/dbraw/zinc/48/48/39/721484839.db2.gz LYEINZXIJTXGEB-LJQANCHMSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756020 721937671 /nfs/dbraw/zinc/93/76/71/721937671.db2.gz ZFBSIRYPTVJJIT-PKOBYXMFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870941 722063225 /nfs/dbraw/zinc/06/32/25/722063225.db2.gz YWLVQJMNCWYLBN-SFHVURJKSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919445 722096859 /nfs/dbraw/zinc/09/68/59/722096859.db2.gz XJUQRWOPEITJPA-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801464 723338948 /nfs/dbraw/zinc/33/89/48/723338948.db2.gz NHQBRJYAXLPVIE-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985804545 724899549 /nfs/dbraw/zinc/89/95/49/724899549.db2.gz RLMFHHYDBBDJMI-QGZVFWFLSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000986964649 724995438 /nfs/dbraw/zinc/99/54/38/724995438.db2.gz ZZQMJPLXZRQYKP-MAUKXSAKSA-N 2 0 349.906 2.736 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067691 728939267 /nfs/dbraw/zinc/93/92/67/728939267.db2.gz YWHMETGZULPFLV-WMZOPIPTSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009480 725460295 /nfs/dbraw/zinc/46/02/95/725460295.db2.gz HPOYLDDJLOIEPD-IRFCIJBXSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC000992146550 725562878 /nfs/dbraw/zinc/56/28/78/725562878.db2.gz HKQIJDVKDILVOZ-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000987187332 725569043 /nfs/dbraw/zinc/56/90/43/725569043.db2.gz AZEHFPUSCLLHKS-YOEHRIQHSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169967 725584881 /nfs/dbraw/zinc/58/48/81/725584881.db2.gz HJKBYHCFPLFINA-FXAWDEMLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@H]12 ZINC000992239044 725638691 /nfs/dbraw/zinc/63/86/91/725638691.db2.gz HSNZUZLBLRRQLQ-ZTRFORPCSA-N 2 0 342.487 2.603 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992306979 725698302 /nfs/dbraw/zinc/69/83/02/725698302.db2.gz WFRILHNDYHZTQO-QWFCFKBJSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001040724796 725705857 /nfs/dbraw/zinc/70/58/57/725705857.db2.gz WLCGTWSYJJBXIT-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000987607057 725778212 /nfs/dbraw/zinc/77/82/12/725778212.db2.gz XHNNHAUXOBTQIR-DOTOQJQBSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC000992694187 726115568 /nfs/dbraw/zinc/11/55/68/726115568.db2.gz RGPUSHSQQPQQGO-KZNAEPCWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]21 ZINC000992698971 726121290 /nfs/dbraw/zinc/12/12/90/726121290.db2.gz GSLCDDDGNQUZET-BHYGNILZSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC000992724443 726137736 /nfs/dbraw/zinc/13/77/36/726137736.db2.gz CQWGOPBUMHXIHI-IPMKNSEASA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC000992724434 726137800 /nfs/dbraw/zinc/13/78/00/726137800.db2.gz CQWGOPBUMHXIHI-GBESFXJTSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC000992740600 726153275 /nfs/dbraw/zinc/15/32/75/726153275.db2.gz LYIZMLPVTHGOSE-QXAKKESOSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000992770780 726199282 /nfs/dbraw/zinc/19/92/82/726199282.db2.gz MRPXGFPCVWAKKF-ATZDWAIDSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992815752 726252892 /nfs/dbraw/zinc/25/28/92/726252892.db2.gz KRNLMYZCFHKDGM-RCCFBDPRSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992815736 726252909 /nfs/dbraw/zinc/25/29/09/726252909.db2.gz KRNLMYZCFHKDGM-FGTMMUONSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC000992839170 726292122 /nfs/dbraw/zinc/29/21/22/726292122.db2.gz UNOZZVSPZOKXCM-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC000992854586 726300848 /nfs/dbraw/zinc/30/08/48/726300848.db2.gz IHHGUMFLSIYJBE-SLFFLAALSA-N 2 0 341.499 2.765 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC000992926431 726342683 /nfs/dbraw/zinc/34/26/83/726342683.db2.gz OFZMULDALDYDAN-HSALFYBXSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498547 727283756 /nfs/dbraw/zinc/28/37/56/727283756.db2.gz FYBWOUUHEGIBCZ-MAUKXSAKSA-N 2 0 326.444 2.802 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993617017 727327162 /nfs/dbraw/zinc/32/71/62/727327162.db2.gz RUGRRFHOLFXAAI-QAPCUYQASA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630192 727348489 /nfs/dbraw/zinc/34/84/89/727348489.db2.gz KNSXLVKKULWFSV-YLJYHZDGSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098903 728300120 /nfs/dbraw/zinc/30/01/20/728300120.db2.gz CNPZIEKGXFQLCO-HOCLYGCPSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942174101 728343804 /nfs/dbraw/zinc/34/38/04/728343804.db2.gz UDJOMAGIUKFXKE-ZWKOTPCHSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205684 728366114 /nfs/dbraw/zinc/36/61/14/728366114.db2.gz VQKHLFUXMBQXIM-KSSFIOAISA-N 2 0 326.444 2.659 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953465 728409711 /nfs/dbraw/zinc/40/97/11/728409711.db2.gz OQNGYNMBTXTIKZ-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435459 728417963 /nfs/dbraw/zinc/41/79/63/728417963.db2.gz LTUIDDHQLJNPPW-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000170903805 728493597 /nfs/dbraw/zinc/49/35/97/728493597.db2.gz ZPOIHNSPTSUOGO-INIZCTEOSA-N 2 0 332.492 2.612 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829070 728528543 /nfs/dbraw/zinc/52/85/43/728528543.db2.gz CQMSKVGSGGNQHK-MOPGFXCFSA-N 2 0 333.520 2.587 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069843 729467891 /nfs/dbraw/zinc/46/78/91/729467891.db2.gz LAZWPDRVPRSGJA-HKUYNNGSSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070492 729475385 /nfs/dbraw/zinc/47/53/85/729475385.db2.gz PXWUQGZCFHZZAR-FXAWDEMLSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[C@@]1(C(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)CCC[NH2+]1 ZINC001574516929 1088017896 /nfs/dbraw/zinc/01/78/96/1088017896.db2.gz KGBICFBCPZKZJO-FPOVZHCZSA-N 2 0 341.499 2.721 20 30 EFEDRP C#CC[C@]1(C(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)CCC[NH2+]1 ZINC001574517031 1088018532 /nfs/dbraw/zinc/01/85/32/1088018532.db2.gz KGBICFBCPZKZJO-TZIWHRDSSA-N 2 0 341.499 2.721 20 30 EFEDRP C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC001574735988 1088061980 /nfs/dbraw/zinc/06/19/80/1088061980.db2.gz SOCWIUKQQMOMOA-LBPRGKRZSA-N 2 0 325.250 2.678 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001574852643 1088121838 /nfs/dbraw/zinc/12/18/38/1088121838.db2.gz XHGURLUKVUIUMU-ZWKOTPCHSA-N 2 0 349.906 2.825 20 30 EFEDRP COc1cc(C#N)ccc1C[NH+]1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001579139130 1090524651 /nfs/dbraw/zinc/52/46/51/1090524651.db2.gz MIDQOONLAVXOTD-LJQANCHMSA-N 2 0 325.456 2.921 20 30 EFEDRP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001579965067 1090733835 /nfs/dbraw/zinc/73/38/35/1090733835.db2.gz XNSMNQGPKAUGPP-SFHVURJKSA-N 2 0 337.471 2.827 20 30 EFEDRP N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001580036027 1090750157 /nfs/dbraw/zinc/75/01/57/1090750157.db2.gz MBEHFMKBIWBKPQ-QGTPRVQTSA-N 2 0 332.879 2.650 20 30 EFEDRP N#CC[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC001580045996 1090753214 /nfs/dbraw/zinc/75/32/14/1090753214.db2.gz YSSILGYTJRKYCZ-QGZVFWFLSA-N 2 0 349.438 2.517 20 30 EFEDRP N#Cc1c(F)cccc1N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001580056947 1090757494 /nfs/dbraw/zinc/75/74/94/1090757494.db2.gz JAPUOHBHBMULOA-ALOPSCKCSA-N 2 0 342.462 2.740 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001580066830 1090760802 /nfs/dbraw/zinc/76/08/02/1090760802.db2.gz WQALURLPQPZYOQ-GOSISDBHSA-N 2 0 326.488 2.502 20 30 EFEDRP N#Cc1ccc(C2([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CCOCC2)cc1 ZINC001580066427 1090761251 /nfs/dbraw/zinc/76/12/51/1090761251.db2.gz KNVRWZSCILCFFN-SAABIXHNSA-N 2 0 327.472 2.919 20 30 EFEDRP N#Cc1ccc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC001580066843 1090761272 /nfs/dbraw/zinc/76/12/72/1090761272.db2.gz XCBIDRGLHUZRPH-JLYLLQBASA-N 2 0 325.456 2.684 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC001580070170 1090762955 /nfs/dbraw/zinc/76/29/55/1090762955.db2.gz RYNFCHTUTCFKGV-HNNXBMFYSA-N 2 0 332.879 2.723 20 30 EFEDRP N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC001580078274 1090765590 /nfs/dbraw/zinc/76/55/90/1090765590.db2.gz SCAKLOBLYNNOOC-DFQSSKMNSA-N 2 0 343.471 2.688 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112515108 1093196328 /nfs/dbraw/zinc/19/63/28/1093196328.db2.gz VJUSGBWMJVXQLU-ZJOUEHCJSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001075458442 1093229577 /nfs/dbraw/zinc/22/95/77/1093229577.db2.gz GBYUWCPAAYMGJH-OALUTQOASA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516257 1093528871 /nfs/dbraw/zinc/52/88/71/1093528871.db2.gz AORRFVSHCPVVMF-JPLJXNOCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667646 1094570131 /nfs/dbraw/zinc/57/01/31/1094570131.db2.gz UMWYGABCMJVFEI-DJIMGWMZSA-N 2 0 343.943 2.934 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519060 1094615812 /nfs/dbraw/zinc/61/58/12/1094615812.db2.gz QXUCUDGKBYDMHB-BJLQDIEVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001112522336 1094769825 /nfs/dbraw/zinc/76/98/25/1094769825.db2.gz RKZZHRLNSXGBKI-LMNJBCLMSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530343 1094873183 /nfs/dbraw/zinc/87/31/83/1094873183.db2.gz PKFIZUCUTSBVQH-RXVVDRJESA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303207 1095160352 /nfs/dbraw/zinc/16/03/52/1095160352.db2.gz HYESMLRGRHDTAK-QRQLOZEOSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C(C)(C)[C@H]21 ZINC001087303008 1095161525 /nfs/dbraw/zinc/16/15/25/1095161525.db2.gz FCMFBYRPJWQFHX-NJAFHUGGSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccnc3C(C)C)C(C)(C)[C@@H]21 ZINC001087306353 1095191480 /nfs/dbraw/zinc/19/14/80/1095191480.db2.gz HUNZQHDDYJMFLL-KBAYOESNSA-N 2 0 344.503 2.798 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087307336 1095202975 /nfs/dbraw/zinc/20/29/75/1095202975.db2.gz YDPDOMGZMXGASY-HOJAQTOUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@H]21 ZINC001087309217 1095234268 /nfs/dbraw/zinc/23/42/68/1095234268.db2.gz CPQXCGSAULVGDF-HOJAQTOUSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317679 1095316081 /nfs/dbraw/zinc/31/60/81/1095316081.db2.gz LHKCFQADBHQOHJ-NEWSRXKRSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317678 1095318145 /nfs/dbraw/zinc/31/81/45/1095318145.db2.gz LHKCFQADBHQOHJ-BHIYHBOVSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001167705140 1096090822 /nfs/dbraw/zinc/09/08/22/1096090822.db2.gz DOSRCBXDFHOBOP-UHFFFAOYSA-N 2 0 347.547 2.951 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573149 1096116690 /nfs/dbraw/zinc/11/66/90/1096116690.db2.gz JKACCJAWXNGIOC-QRVBRYPASA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001482242276 1098439625 /nfs/dbraw/zinc/43/96/25/1098439625.db2.gz CIMSWOOISZBCLE-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167748157 1098716054 /nfs/dbraw/zinc/71/60/54/1098716054.db2.gz GRLIRIPFNJVZKT-UHFFFAOYSA-N 2 0 333.520 2.705 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896022 1098930020 /nfs/dbraw/zinc/93/00/20/1098930020.db2.gz JAQIDFNBXGXFKJ-VAMGGRTRSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896021 1098930832 /nfs/dbraw/zinc/93/08/32/1098930832.db2.gz JAQIDFNBXGXFKJ-AQNXPRMDSA-N 2 0 347.547 2.739 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001104896413 1098931494 /nfs/dbraw/zinc/93/14/94/1098931494.db2.gz XSANOOIVRXGQKF-AQNXPRMDSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167737431 1098973925 /nfs/dbraw/zinc/97/39/25/1098973925.db2.gz SWGRYLGVTSCKJT-SFHVURJKSA-N 2 0 335.536 2.951 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932627 1099069171 /nfs/dbraw/zinc/06/91/71/1099069171.db2.gz DWOPSQYLGRRQAO-GDBMZVCRSA-N 2 0 329.916 2.545 20 30 EFEDRP N#Cc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973413 1099352960 /nfs/dbraw/zinc/35/29/60/1099352960.db2.gz KAYYKNCPZIVVNP-YQQQUEKLSA-N 2 0 325.456 2.932 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211674317 1099722229 /nfs/dbraw/zinc/72/22/29/1099722229.db2.gz BAYXRBDTAUHCGP-ZCNNSNEGSA-N 2 0 343.515 2.877 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105393873 1100336743 /nfs/dbraw/zinc/33/67/43/1100336743.db2.gz KBGSIUANDBKRDX-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164774 1100486736 /nfs/dbraw/zinc/48/67/36/1100486736.db2.gz QXAAUKXUHKALNO-RBSFLKMASA-N 2 0 349.441 2.662 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395667 1100556849 /nfs/dbraw/zinc/55/68/49/1100556849.db2.gz CNFYZPNLFPLTAT-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602557 1100580879 /nfs/dbraw/zinc/58/08/79/1100580879.db2.gz UNMBUSDHNSYPGG-IPMKNSEASA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602284 1100580951 /nfs/dbraw/zinc/58/09/51/1100580951.db2.gz IRXBNAQILCMCHR-IPMKNSEASA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602285 1100581320 /nfs/dbraw/zinc/58/13/20/1100581320.db2.gz IRXBNAQILCMCHR-OTWHNJEPSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087791095 1100774474 /nfs/dbraw/zinc/77/44/74/1100774474.db2.gz VSWJKSMYLACZRG-RBUKOAKNSA-N 2 0 333.520 2.654 20 30 EFEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792224 1100775414 /nfs/dbraw/zinc/77/54/14/1100775414.db2.gz UBCJBFWSIXLXSK-IPMKNSEASA-N 2 0 333.520 2.633 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845032 1100864803 /nfs/dbraw/zinc/86/48/03/1100864803.db2.gz BXIQGCRZEQUPNO-ZWKOTPCHSA-N 2 0 345.487 2.727 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023077 1101209629 /nfs/dbraw/zinc/20/96/29/1101209629.db2.gz MWXDNTKLIQORNV-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167437985 1101738186 /nfs/dbraw/zinc/73/81/86/1101738186.db2.gz LCYBYJOGGXCNCY-JKSUJKDBSA-N 2 0 339.911 2.632 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212660 1101890704 /nfs/dbraw/zinc/89/07/04/1101890704.db2.gz GPJCYITYOSPASC-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001167168040 1101976124 /nfs/dbraw/zinc/97/61/24/1101976124.db2.gz XCUBKIGAMXVWAM-HNNXBMFYSA-N 2 0 330.476 2.672 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104363048 1102215393 /nfs/dbraw/zinc/21/53/93/1102215393.db2.gz WMMVJJVJANKMLU-UKRRQHHQSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952148 1102228927 /nfs/dbraw/zinc/22/89/27/1102228927.db2.gz AFOFGRUHZFHUDK-QGZVFWFLSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001482497313 1102350379 /nfs/dbraw/zinc/35/03/79/1102350379.db2.gz DHLCFBBHLFNREW-HOCLYGCPSA-N 2 0 329.916 2.688 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001104375516 1102427204 /nfs/dbraw/zinc/42/72/04/1102427204.db2.gz PPQUPRXJQKUUDQ-GDBMZVCRSA-N 2 0 326.444 2.517 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291712 1102853768 /nfs/dbraw/zinc/85/37/68/1102853768.db2.gz RWNQCFFNNUEGEC-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001088323584 1102915217 /nfs/dbraw/zinc/91/52/17/1102915217.db2.gz SUCVQAULYYBCNF-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001088327669 1102934256 /nfs/dbraw/zinc/93/42/56/1102934256.db2.gz TYQSQKGKUJUCEK-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327767 1102936604 /nfs/dbraw/zinc/93/66/04/1102936604.db2.gz WERDEBMIBIYLRX-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336348 1102996328 /nfs/dbraw/zinc/99/63/28/1102996328.db2.gz BNRBEAOWLVZWRN-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352994 1103124978 /nfs/dbraw/zinc/12/49/78/1103124978.db2.gz OCOFIOKTPNBIRU-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001088353388 1103128491 /nfs/dbraw/zinc/12/84/91/1103128491.db2.gz YGEOHUBGIGATQQ-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991066673 1103454812 /nfs/dbraw/zinc/45/48/12/1103454812.db2.gz JQTRDJWOZINXBY-WSTZPKSXSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105517383 1105864178 /nfs/dbraw/zinc/86/41/78/1105864178.db2.gz BCPVXCZFYOPJFC-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001105539551 1105910639 /nfs/dbraw/zinc/91/06/39/1105910639.db2.gz JPIKUAIBPVLERF-RBUKOAKNSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001105557057 1105931519 /nfs/dbraw/zinc/93/15/19/1105931519.db2.gz WIXJWFSCYQUCRU-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2ncc[nH]2)CCC1 ZINC001105570424 1105950377 /nfs/dbraw/zinc/95/03/77/1105950377.db2.gz PJVXJZKDONBLQR-MRXNPFEDSA-N 2 0 330.476 2.669 20 30 EFEDRP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001105575201 1105962781 /nfs/dbraw/zinc/96/27/81/1105962781.db2.gz UTPPRRPUZXRDDB-MSOLQXFVSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCC(C)C)CC2)CC1 ZINC001168307072 1106500995 /nfs/dbraw/zinc/50/09/95/1106500995.db2.gz CPOVWRPRQYYKCC-UHFFFAOYSA-N 2 0 347.547 2.644 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC/C=C\CC)CC2)CC1 ZINC001168307906 1106522408 /nfs/dbraw/zinc/52/24/08/1106522408.db2.gz MDOSGHUEQOETIB-WAYWQWQTSA-N 2 0 345.531 2.564 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000989845711 1106709810 /nfs/dbraw/zinc/70/98/10/1106709810.db2.gz YROOAJNKNKJRJV-HOTGVXAUSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106134477 1108561729 /nfs/dbraw/zinc/56/17/29/1108561729.db2.gz XGPWWPMFRGPAEQ-KZNAEPCWSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658861 1108624724 /nfs/dbraw/zinc/62/47/24/1108624724.db2.gz JXVQGXOIQVFJHE-HFSMHLIXSA-N 2 0 345.531 2.940 20 30 EFEDRP C#CCC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115571748 1108768022 /nfs/dbraw/zinc/76/80/22/1108768022.db2.gz MYHDAPSIEGGLBF-SFHVURJKSA-N 2 0 333.520 2.681 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249399 1111219031 /nfs/dbraw/zinc/21/90/31/1111219031.db2.gz GLBWWGLSCQJLIS-BHIYHBOVSA-N 2 0 337.552 2.981 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249162 1111220513 /nfs/dbraw/zinc/22/05/13/1111220513.db2.gz BCOYTDFNNRRVJF-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001106431307 1111525214 /nfs/dbraw/zinc/52/52/14/1111525214.db2.gz AKYXGXMNPRXFSI-SJLPKXTDSA-N 2 0 332.492 2.622 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621608 1111678640 /nfs/dbraw/zinc/67/86/40/1111678640.db2.gz UVGRQRMAQYZYRE-IEBWSBKVSA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001106765389 1111810942 /nfs/dbraw/zinc/81/09/42/1111810942.db2.gz ZPNURMWVVATUGO-RDTXWAMCSA-N 2 0 349.906 2.798 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001106765532 1111811877 /nfs/dbraw/zinc/81/18/77/1111811877.db2.gz GYBULPRCWZSHOS-SJLPKXTDSA-N 2 0 332.492 2.622 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106869200 1111932877 /nfs/dbraw/zinc/93/28/77/1111932877.db2.gz WFXJWCWVBMTLQE-RLLQIKCJSA-N 2 0 343.515 2.940 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386988 1112052069 /nfs/dbraw/zinc/05/20/69/1112052069.db2.gz WFLIMJPMHYGVTD-SFHVURJKSA-N 2 0 347.547 2.881 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402092 1112072207 /nfs/dbraw/zinc/07/22/07/1112072207.db2.gz BBXQXWGLKYIXOU-RTBURBONSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089421870 1112102950 /nfs/dbraw/zinc/10/29/50/1112102950.db2.gz YYKFNQSGDXDWEB-HOTGVXAUSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089440568 1112148416 /nfs/dbraw/zinc/14/84/16/1112148416.db2.gz BFAWVEYUMVZFCP-OAHLLOKOSA-N 2 0 338.883 2.551 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445622 1112158009 /nfs/dbraw/zinc/15/80/09/1112158009.db2.gz KPUYANRGJPALRA-ROUUACIJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475946 1112198572 /nfs/dbraw/zinc/19/85/72/1112198572.db2.gz CQMHELQHTFJXRB-OKZBNKHCSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089511353 1112255937 /nfs/dbraw/zinc/25/59/37/1112255937.db2.gz RJROUOONIJKPPE-OALUTQOASA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511254 1112256005 /nfs/dbraw/zinc/25/60/05/1112256005.db2.gz OYAGIMOWQAIVQB-RTBURBONSA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510308 1112260352 /nfs/dbraw/zinc/26/03/52/1112260352.db2.gz QMWLSTUUEHBBNB-RTBURBONSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089645178 1112439125 /nfs/dbraw/zinc/43/91/25/1112439125.db2.gz QVHZHYPRJQCJBT-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001483914754 1112555961 /nfs/dbraw/zinc/55/59/61/1112555961.db2.gz RALXJICLZXBSPZ-IAGOWNOFSA-N 2 0 341.927 2.974 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663157 1112605120 /nfs/dbraw/zinc/60/51/20/1112605120.db2.gz HWYHHHFJWHLLIZ-MOPGFXCFSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089663656 1112607120 /nfs/dbraw/zinc/60/71/20/1112607120.db2.gz RSHRIMYXFOBJEJ-MOPGFXCFSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089704950 1112850180 /nfs/dbraw/zinc/85/01/80/1112850180.db2.gz ADCRTJGMLUZUKF-OALUTQOASA-N 2 0 347.547 2.879 20 30 EFEDRP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719298 1112939372 /nfs/dbraw/zinc/93/93/72/1112939372.db2.gz AUXPVOWDYRAETQ-IBGZPJMESA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001484569019 1113027397 /nfs/dbraw/zinc/02/73/97/1113027397.db2.gz PNIQPBYUZKAUFK-BRWVUGGUSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484570796 1113030144 /nfs/dbraw/zinc/03/01/44/1113030144.db2.gz YTWDCJQEEOWJJG-WKILWMFISA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485262353 1118181271 /nfs/dbraw/zinc/18/12/71/1118181271.db2.gz IWRXFPYXHYZAHT-UHFFFAOYSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942528988 1118929895 /nfs/dbraw/zinc/92/98/95/1118929895.db2.gz CWIYMIIFQVOKLN-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001272718755 1119176958 /nfs/dbraw/zinc/17/69/58/1119176958.db2.gz MKKHRSZLPJQNBN-GOSISDBHSA-N 2 0 333.520 2.657 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943519957 1119534543 /nfs/dbraw/zinc/53/45/43/1119534543.db2.gz ZYGPRUHEUFKFQZ-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001107037485 1120033855 /nfs/dbraw/zinc/03/38/55/1120033855.db2.gz LIDOEQKDVGAMGN-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180110 1120649012 /nfs/dbraw/zinc/64/90/12/1120649012.db2.gz KOIGVJIHCICAFQ-IEBWSBKVSA-N 2 0 347.547 2.594 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000175019559 231367862 /nfs/dbraw/zinc/36/78/62/231367862.db2.gz NJNQXLRGKDICDA-UHFFFAOYSA-N 2 0 341.480 2.866 20 30 EFEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000174264528 529771179 /nfs/dbraw/zinc/77/11/79/529771179.db2.gz UJDBIVQFIKRJMY-FQEVSTJZSA-N 2 0 338.455 2.620 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262428752 240352046 /nfs/dbraw/zinc/35/20/46/240352046.db2.gz SDJBDPVOXOPBPT-SLFFLAALSA-N 2 0 340.515 2.611 20 30 EFEDRP C[NH+]=C(NCc1cc(F)ccc1SC)NCC1CC[NH+](C)CC1 ZINC000262498614 240355972 /nfs/dbraw/zinc/35/59/72/240355972.db2.gz XKBCIUNWPRALQU-UHFFFAOYSA-N 2 0 338.496 2.554 20 30 EFEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000262520002 240358695 /nfs/dbraw/zinc/35/86/95/240358695.db2.gz HZQFPSKCUGVQND-UHFFFAOYSA-N 2 0 342.487 2.547 20 30 EFEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000191984151 240018037 /nfs/dbraw/zinc/01/80/37/240018037.db2.gz ZCPRYPXKVBRSTM-KDURUIRLSA-N 2 0 326.484 2.859 20 30 EFEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000192834285 240066840 /nfs/dbraw/zinc/06/68/40/240066840.db2.gz JRVKEQHTBPPKSC-RBUKOAKNSA-N 2 0 327.472 2.815 20 30 EFEDRP C[NH+]=C(NCc1cccc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262805035 240369025 /nfs/dbraw/zinc/36/90/25/240369025.db2.gz WLGMPOMUMMFTPJ-IBGZPJMESA-N 2 0 334.467 2.861 20 30 EFEDRP C[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261962260 240332486 /nfs/dbraw/zinc/33/24/86/240332486.db2.gz KMZZFMDTEFHZOA-UKRRQHHQSA-N 2 0 334.533 2.673 20 30 EFEDRP C[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261962258 240333603 /nfs/dbraw/zinc/33/36/03/240333603.db2.gz KMZZFMDTEFHZOA-DZGCQCFKSA-N 2 0 334.533 2.673 20 30 EFEDRP C=CCN(CC1CC[NH2+]CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000262035662 240341486 /nfs/dbraw/zinc/34/14/86/240341486.db2.gz XPWWGUHDFBVWLY-LJQANCHMSA-N 2 0 330.472 2.648 20 30 EFEDRP CSC1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC[NH+](C)CC1 ZINC000262295711 240346808 /nfs/dbraw/zinc/34/68/08/240346808.db2.gz MFUHDFFRHMCLPI-UHFFFAOYSA-N 2 0 332.517 2.729 20 30 EFEDRP CC(C)[C@]1(C)C[C@@H]1NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263137060 240381186 /nfs/dbraw/zinc/38/11/86/240381186.db2.gz NTSCWPLKRBCWMQ-ICSRJNTNSA-N 2 0 328.504 2.990 20 30 EFEDRP CN(CCC[N@H+](C)Cc1ccccc1C(C)(C)C#N)CC[NH+](C)C ZINC000288572145 241016274 /nfs/dbraw/zinc/01/62/74/241016274.db2.gz ATAGETQLYVWHAT-UHFFFAOYSA-N 2 0 330.520 2.803 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358161389 242114115 /nfs/dbraw/zinc/11/41/15/242114115.db2.gz XKWIXNVRQXFCAE-IAGOWNOFSA-N 2 0 336.524 2.589 20 30 EFEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000359877696 242170746 /nfs/dbraw/zinc/17/07/46/242170746.db2.gz QEYVKJDVGWAFJK-KRWDZBQOSA-N 2 0 336.524 2.581 20 30 EFEDRP C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccco1 ZINC000414192655 244042244 /nfs/dbraw/zinc/04/22/44/244042244.db2.gz MABWJDNYJZEHBF-SFHVURJKSA-N 2 0 347.503 2.673 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425899734 247209841 /nfs/dbraw/zinc/20/98/41/247209841.db2.gz MCDJUHZNYSDXCL-HXUWFJFHSA-N 2 0 346.519 2.930 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442709577 250105681 /nfs/dbraw/zinc/10/56/81/250105681.db2.gz OQZIASXRMOSJCO-FXAWDEMLSA-N 2 0 326.488 2.606 20 30 EFEDRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000442727065 250107278 /nfs/dbraw/zinc/10/72/78/250107278.db2.gz VJDUPBVAKLZZRK-SXLOBPIMSA-N 2 0 326.488 2.647 20 30 EFEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000442778110 250115994 /nfs/dbraw/zinc/11/59/94/250115994.db2.gz JYFDFRLGGBUBFA-RBUKOAKNSA-N 2 0 326.488 2.871 20 30 EFEDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442882964 250135448 /nfs/dbraw/zinc/13/54/48/250135448.db2.gz TUSUQXLHIFXZST-UHFFFAOYSA-N 2 0 345.487 2.890 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063509 250155091 /nfs/dbraw/zinc/15/50/91/250155091.db2.gz WSNNATQTDAZIGE-HOTGVXAUSA-N 2 0 335.517 2.712 20 30 EFEDRP C[N@H+](CC1CC1)C[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000350760530 146087934 /nfs/dbraw/zinc/08/79/34/146087934.db2.gz ASBBQJKMDGRTDR-OAHLLOKOSA-N 2 0 346.500 2.612 20 30 EFEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CC[NH+](CCO)CC1 ZINC000360840521 148466445 /nfs/dbraw/zinc/46/64/45/148466445.db2.gz NYGNNBRCXZUJSF-HXUWFJFHSA-N 2 0 327.472 2.620 20 30 EFEDRP CO[C@]1(C)CCC[N@H+](CC#CC[NH+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460364 286159879 /nfs/dbraw/zinc/15/98/79/286159879.db2.gz ZXLPWAZMOXTLDT-BGYRXZFFSA-N 2 0 336.520 2.772 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000423495332 270028110 /nfs/dbraw/zinc/02/81/10/270028110.db2.gz BSVVCKRCXJXYDO-FQEVSTJZSA-N 2 0 326.488 2.630 20 30 EFEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039923 267103993 /nfs/dbraw/zinc/10/39/93/267103993.db2.gz BRRIJPGHCKLHKY-MRXNPFEDSA-N 2 0 348.878 2.956 20 30 EFEDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271992080 267181107 /nfs/dbraw/zinc/18/11/07/267181107.db2.gz ZLCSITYPEZXYCI-HNNXBMFYSA-N 2 0 332.467 2.622 20 30 EFEDRP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4ncc[nH]4)CC3)C2=O)cc1 ZINC000272285877 268110306 /nfs/dbraw/zinc/11/03/06/268110306.db2.gz GIJUEDQEQIECGQ-GOSISDBHSA-N 2 0 349.438 2.656 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)[NH+]2CCCC2)cc1OC ZINC000264123003 274113012 /nfs/dbraw/zinc/11/30/12/274113012.db2.gz RLXQGYQLAGPXEK-INIZCTEOSA-N 2 0 348.491 2.941 20 30 EFEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075925 274203333 /nfs/dbraw/zinc/20/33/33/274203333.db2.gz YEOKRCOIRVVULF-INIZCTEOSA-N 2 0 340.471 2.693 20 30 EFEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000424160142 276301323 /nfs/dbraw/zinc/30/13/23/276301323.db2.gz TUUPYKDMLMGCTQ-BHIYHBOVSA-N 2 0 342.487 2.692 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000262492727 279240727 /nfs/dbraw/zinc/24/07/27/279240727.db2.gz JNLHHGIGPUAOHK-BFYDXBDKSA-N 2 0 330.476 2.677 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CC2 ZINC000554981605 318342527 /nfs/dbraw/zinc/34/25/27/318342527.db2.gz DTKILKFHLQBQSS-HSALFYBXSA-N 2 0 325.456 2.513 20 30 EFEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951388 319719510 /nfs/dbraw/zinc/71/95/10/319719510.db2.gz MBHCHGKIFGIFCC-IWCVFHTOSA-N 2 0 328.460 2.621 20 30 EFEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577326797 320098623 /nfs/dbraw/zinc/09/86/23/320098623.db2.gz QWXCMSCMQYANJL-SFHVURJKSA-N 2 0 326.488 2.847 20 30 EFEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081571502 473223551 /nfs/dbraw/zinc/22/35/51/473223551.db2.gz MITDOARRCVONEX-KRWDZBQOSA-N 2 0 328.460 2.551 20 30 EFEDRP C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708700 473299270 /nfs/dbraw/zinc/29/92/70/473299270.db2.gz RVIIHJMZIALDAV-QGZVFWFLSA-N 2 0 329.488 2.843 20 30 EFEDRP CC1CC[NH+](CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083031795 473316521 /nfs/dbraw/zinc/31/65/21/473316521.db2.gz OUYBTJYIOHZUAA-SFHVURJKSA-N 2 0 344.503 2.927 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000057170079 472390929 /nfs/dbraw/zinc/39/09/29/472390929.db2.gz MLUCNODPWFWAKP-UHFFFAOYSA-N 2 0 339.483 2.956 20 30 EFEDRP C#Cc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000077201337 472471571 /nfs/dbraw/zinc/47/15/71/472471571.db2.gz RFXARVIUBZMWOZ-IBGZPJMESA-N 2 0 342.487 2.548 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132455308 472735141 /nfs/dbraw/zinc/73/51/41/472735141.db2.gz YWAFZYDTHKJYSH-NQIIRXRSSA-N 2 0 343.515 2.621 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132454963 472735362 /nfs/dbraw/zinc/73/53/62/472735362.db2.gz YWAFZYDTHKJYSH-RXVVDRJESA-N 2 0 343.515 2.621 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121199799 472814128 /nfs/dbraw/zinc/81/41/28/472814128.db2.gz FSJBOVNZBQEWKU-RTBURBONSA-N 2 0 343.515 2.623 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000106337037 472841136 /nfs/dbraw/zinc/84/11/36/472841136.db2.gz WPVQNCLQHDXPIH-UHFFFAOYSA-N 2 0 336.524 2.591 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710704 472858318 /nfs/dbraw/zinc/85/83/18/472858318.db2.gz KBSITDKRUCCTOJ-QYZOEREBSA-N 2 0 348.535 2.563 20 30 EFEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780624 472874394 /nfs/dbraw/zinc/87/43/94/472874394.db2.gz LIEUAXYINOHCEN-OAHLLOKOSA-N 2 0 334.895 2.832 20 30 EFEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562779 472888689 /nfs/dbraw/zinc/88/86/89/472888689.db2.gz OBOFUYXKRMMQKI-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP N#Cc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134909885 472987827 /nfs/dbraw/zinc/98/78/27/472987827.db2.gz BBDBYLNSFPTGAI-XLIONFOSSA-N 2 0 325.456 2.886 20 30 EFEDRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1C ZINC000160127857 473089932 /nfs/dbraw/zinc/08/99/32/473089932.db2.gz KRECIITYRBXVKZ-BHYGNILZSA-N 2 0 330.451 2.738 20 30 EFEDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000123513651 473149832 /nfs/dbraw/zinc/14/98/32/473149832.db2.gz ZKFUUSHUYSINIF-UHFFFAOYSA-N 2 0 342.487 2.941 20 30 EFEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+](C)C1CC1 ZINC000160713621 473166299 /nfs/dbraw/zinc/16/62/99/473166299.db2.gz MDADYSJQZZMRMZ-SNVBAGLBSA-N 2 0 330.354 2.795 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185383967 473411908 /nfs/dbraw/zinc/41/19/08/473411908.db2.gz MLAAMKXUDCCPSI-QGZVFWFLSA-N 2 0 336.524 2.591 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177687784 473418319 /nfs/dbraw/zinc/41/83/19/473418319.db2.gz JOKKDXGBGLEYRM-UHFFFAOYSA-N 2 0 340.496 2.657 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000171738550 473448959 /nfs/dbraw/zinc/44/89/59/473448959.db2.gz MZNKRCRTEBCYFP-UHFFFAOYSA-N 2 0 348.535 2.544 20 30 EFEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185782200 473512638 /nfs/dbraw/zinc/51/26/38/473512638.db2.gz NWNVBBBTDGFPTC-GHTZIAJQSA-N 2 0 340.515 2.996 20 30 EFEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1 ZINC000115628396 473588118 /nfs/dbraw/zinc/58/81/18/473588118.db2.gz PGUCODBBIAAXTE-NQIIRXRSSA-N 2 0 344.499 2.925 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000172398187 473599749 /nfs/dbraw/zinc/59/97/49/473599749.db2.gz SYLRHCUXZZMJRV-MRXNPFEDSA-N 2 0 335.455 2.556 20 30 EFEDRP C=C(C)CN1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000153040573 473605651 /nfs/dbraw/zinc/60/56/51/473605651.db2.gz WJGNCKWYSVBKJM-RXVVDRJESA-N 3 0 342.531 2.922 20 30 EFEDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049610 473786067 /nfs/dbraw/zinc/78/60/67/473786067.db2.gz MTRMISXCEUCAMV-INIZCTEOSA-N 2 0 335.455 2.533 20 30 EFEDRP COc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281812572 473845914 /nfs/dbraw/zinc/84/59/14/473845914.db2.gz WDMDYQVLIACQJJ-IYBDPMFKSA-N 2 0 331.460 2.546 20 30 EFEDRP CC1CCN(C(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000194690503 473940128 /nfs/dbraw/zinc/94/01/28/473940128.db2.gz LQQIHEUNKZKQJL-UHFFFAOYSA-N 2 0 328.504 2.945 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000264080888 473947708 /nfs/dbraw/zinc/94/77/08/473947708.db2.gz HFWNRCMCAUAVMJ-GJZGRUSLSA-N 2 0 348.491 2.798 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000264086213 473949328 /nfs/dbraw/zinc/94/93/28/473949328.db2.gz JIGREJNCGAPOCJ-QRVBRYPASA-N 2 0 344.503 2.543 20 30 EFEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NC(C)(C)C)CC2)cc1 ZINC000264113631 473950039 /nfs/dbraw/zinc/95/00/39/473950039.db2.gz RWBQOOQTGIDYSD-UHFFFAOYSA-N 2 0 332.492 2.610 20 30 EFEDRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264153283 473954542 /nfs/dbraw/zinc/95/45/42/473954542.db2.gz ZTADNTRCDOHKQF-UHFFFAOYSA-N 2 0 330.354 2.798 20 30 EFEDRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])Nc2ccccc2)cc1 ZINC000264261452 473957969 /nfs/dbraw/zinc/95/79/69/473957969.db2.gz JLEHVLWTHGFODK-UHFFFAOYSA-N 2 0 326.444 2.596 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000264512546 474019795 /nfs/dbraw/zinc/01/97/95/474019795.db2.gz UIUCQIVSOHPVII-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000181309444 474026036 /nfs/dbraw/zinc/02/60/36/474026036.db2.gz WQCBIFZJOIBFOQ-QGZVFWFLSA-N 2 0 329.488 2.664 20 30 EFEDRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774252 474062789 /nfs/dbraw/zinc/06/27/89/474062789.db2.gz SQSHEYOAEUOYIN-IAGOWNOFSA-N 2 0 343.471 2.740 20 30 EFEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000289260630 474201408 /nfs/dbraw/zinc/20/14/08/474201408.db2.gz MQCSREYHBQQGRQ-UHFFFAOYSA-N 2 0 334.463 2.914 20 30 EFEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000182746703 474247017 /nfs/dbraw/zinc/24/70/17/474247017.db2.gz LXYFUMINRCKAQJ-FQEVSTJZSA-N 2 0 348.535 2.629 20 30 EFEDRP C#CCCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289484249 474289513 /nfs/dbraw/zinc/28/95/13/474289513.db2.gz QXGNSLOAFOSXJV-UHFFFAOYSA-N 2 0 343.515 2.547 20 30 EFEDRP C=CCOc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289657537 474365404 /nfs/dbraw/zinc/36/54/04/474365404.db2.gz COVUUULASKJEIB-UHFFFAOYSA-N 2 0 331.504 2.709 20 30 EFEDRP CC[NH+]1CCC(N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000266152438 474421767 /nfs/dbraw/zinc/42/17/67/474421767.db2.gz XEKCSUSQQZAGNH-HNNXBMFYSA-N 2 0 346.450 2.535 20 30 EFEDRP CC(C)(CCC#N)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000266166653 474421947 /nfs/dbraw/zinc/42/19/47/474421947.db2.gz AVVBCGQCJQSRGB-UHFFFAOYSA-N 2 0 329.492 2.513 20 30 EFEDRP N#CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266782098 474481408 /nfs/dbraw/zinc/48/14/08/474481408.db2.gz XUCHETWOWWARQD-UHFFFAOYSA-N 2 0 343.471 2.666 20 30 EFEDRP C[NH+]1CCC(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266987339 474556209 /nfs/dbraw/zinc/55/62/09/474556209.db2.gz RMXZGJRDSDRSNT-UHFFFAOYSA-N 2 0 342.409 2.842 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271488524 474568989 /nfs/dbraw/zinc/56/89/89/474568989.db2.gz KAUCGNOFNWURIF-DQLDELGASA-N 2 0 342.483 2.727 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000271509006 474575473 /nfs/dbraw/zinc/57/54/73/474575473.db2.gz RZELUMSTVBXUGZ-XLIONFOSSA-N 2 0 345.487 2.816 20 30 EFEDRP C=CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CC1 ZINC000271552608 474582032 /nfs/dbraw/zinc/58/20/32/474582032.db2.gz WCAGVXAEVJDBPH-IBGZPJMESA-N 2 0 329.488 2.812 20 30 EFEDRP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277706619 474593521 /nfs/dbraw/zinc/59/35/21/474593521.db2.gz IIFLBMWISARZMZ-QGZVFWFLSA-N 2 0 348.487 2.851 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000271870232 474596976 /nfs/dbraw/zinc/59/69/76/474596976.db2.gz MLAQIXOWQWEXPX-BEVDRBHNSA-N 2 0 343.471 2.617 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000609133423 480116490 /nfs/dbraw/zinc/11/64/90/480116490.db2.gz BLVWRQPRPQDFOZ-UHFFFAOYSA-N 2 0 348.535 2.723 20 30 EFEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000609133467 480117005 /nfs/dbraw/zinc/11/70/05/480117005.db2.gz KYAVSDXJEQQUPB-QGZVFWFLSA-N 2 0 348.535 2.770 20 30 EFEDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478476 474656329 /nfs/dbraw/zinc/65/63/29/474656329.db2.gz KJNHDUTWLHBTLS-IAGOWNOFSA-N 2 0 331.460 2.740 20 30 EFEDRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478478 474656360 /nfs/dbraw/zinc/65/63/60/474656360.db2.gz KJNHDUTWLHBTLS-SJORKVTESA-N 2 0 331.460 2.740 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2ccc(C)cc2)n1 ZINC000267387492 474666435 /nfs/dbraw/zinc/66/64/35/474666435.db2.gz CEMBEOLALGPEMU-KRWDZBQOSA-N 2 0 341.459 2.539 20 30 EFEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000292857816 474678935 /nfs/dbraw/zinc/67/89/35/474678935.db2.gz UZBBNULVKJSODI-OAQYLSRUSA-N 2 0 349.482 2.991 20 30 EFEDRP C=CCN1CC[C@@H]([NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000337162859 474749600 /nfs/dbraw/zinc/74/96/00/474749600.db2.gz WDRVHSBYGDMERE-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000344628682 474774214 /nfs/dbraw/zinc/77/42/14/474774214.db2.gz HSLGZJFNZVCISH-UHFFFAOYSA-N 2 0 345.487 2.694 20 30 EFEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345123749 474914786 /nfs/dbraw/zinc/91/47/86/474914786.db2.gz BQMLNXNWOLRTJQ-MRXNPFEDSA-N 2 0 342.487 2.569 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268969411 475103654 /nfs/dbraw/zinc/10/36/54/475103654.db2.gz MMJPKGUHHHBBKB-RTWAWAEBSA-N 2 0 342.483 2.556 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000347326916 475232947 /nfs/dbraw/zinc/23/29/47/475232947.db2.gz XKYWBRMJUFHXLM-AYBZRNKSSA-N 2 0 344.478 2.986 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342110333 475557509 /nfs/dbraw/zinc/55/75/09/475557509.db2.gz SAPHURYFINHFJX-UOVPBQLFSA-N 2 0 347.528 2.710 20 30 EFEDRP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000346407311 475597394 /nfs/dbraw/zinc/59/73/94/475597394.db2.gz FJDOFQWCJJSQKB-QGZVFWFLSA-N 2 0 346.519 2.525 20 30 EFEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346503173 475615488 /nfs/dbraw/zinc/61/54/88/475615488.db2.gz PZJWCZKDNCEHFO-KRWDZBQOSA-N 2 0 348.535 2.771 20 30 EFEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000352835341 475651267 /nfs/dbraw/zinc/65/12/67/475651267.db2.gz XVHJLIIAAWJHDJ-FQEVSTJZSA-N 2 0 341.499 2.939 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000353241190 475797389 /nfs/dbraw/zinc/79/73/89/475797389.db2.gz LHRIFGACKDMRII-HKBOAZHASA-N 2 0 339.483 2.903 20 30 EFEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353268635 475819269 /nfs/dbraw/zinc/81/92/69/475819269.db2.gz RIPQKTCJULOIAR-IBGZPJMESA-N 2 0 336.439 2.671 20 30 EFEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338581318 476027713 /nfs/dbraw/zinc/02/77/13/476027713.db2.gz OUQMJIKQRWZEAH-UHFFFAOYSA-N 2 0 342.487 2.590 20 30 EFEDRP CC[N@H+](CCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000347011906 476032205 /nfs/dbraw/zinc/03/22/05/476032205.db2.gz MZRGNKXHPMLOAI-UHFFFAOYSA-N 2 0 348.535 2.629 20 30 EFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000350159497 476074444 /nfs/dbraw/zinc/07/44/44/476074444.db2.gz MOTFYBWEBOFLFR-SFHVURJKSA-N 2 0 340.471 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000350344552 476144513 /nfs/dbraw/zinc/14/45/13/476144513.db2.gz ZUOLCBXMDTUKAD-QGZVFWFLSA-N 2 0 337.471 2.780 20 30 EFEDRP CC(C)[NH+]1CCC(N(C)CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000299603676 476145681 /nfs/dbraw/zinc/14/56/81/476145681.db2.gz RBKPZDHNQNEALJ-UHFFFAOYSA-N 2 0 342.487 2.738 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(CC#N)cc1 ZINC000344116926 476161033 /nfs/dbraw/zinc/16/10/33/476161033.db2.gz BBMXBRQRUIOCMI-UHFFFAOYSA-N 2 0 328.504 2.602 20 30 EFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000368535996 476355616 /nfs/dbraw/zinc/35/56/16/476355616.db2.gz CEARBTCMPFICDB-CUDHKJQZSA-N 2 0 329.488 2.863 20 30 EFEDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360833964 476416458 /nfs/dbraw/zinc/41/64/58/476416458.db2.gz IBIMUMFKIMMUBS-OAQYLSRUSA-N 2 0 340.515 2.943 20 30 EFEDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838360 476420097 /nfs/dbraw/zinc/42/00/97/476420097.db2.gz UFAVUWIWHDYZNK-OAQYLSRUSA-N 2 0 340.515 2.941 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000369581470 476426930 /nfs/dbraw/zinc/42/69/30/476426930.db2.gz CKTUSEMUSJQOFS-OALUTQOASA-N 2 0 348.535 2.565 20 30 EFEDRP Cc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1C#N ZINC000362908878 476475382 /nfs/dbraw/zinc/47/53/82/476475382.db2.gz LMTNXOGXSKTDPQ-UHFFFAOYSA-N 2 0 327.472 2.801 20 30 EFEDRP CN1CC[NH+](CC2(C)CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000375244057 476734589 /nfs/dbraw/zinc/73/45/89/476734589.db2.gz CWJNMBXPBXTDMZ-UHFFFAOYSA-N 2 0 343.490 2.527 20 30 EFEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2Cl)CC1 ZINC000451995937 476766985 /nfs/dbraw/zinc/76/69/85/476766985.db2.gz XNHSWERMIWIENJ-UHFFFAOYSA-N 2 0 334.895 2.717 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034471 476965667 /nfs/dbraw/zinc/96/56/67/476965667.db2.gz WZBWMXQFMAYOMT-MRXNPFEDSA-N 2 0 347.528 2.727 20 30 EFEDRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000447575101 477014661 /nfs/dbraw/zinc/01/46/61/477014661.db2.gz QJOTWCGHXNDXAR-SLFFLAALSA-N 2 0 327.472 2.977 20 30 EFEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578244 477075394 /nfs/dbraw/zinc/07/53/94/477075394.db2.gz UIAZDOGXTJOTHP-RBUKOAKNSA-N 2 0 326.488 2.652 20 30 EFEDRP Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000366764109 477174111 /nfs/dbraw/zinc/17/41/11/477174111.db2.gz AQYVSCPFLUWONI-OAHLLOKOSA-N 2 0 347.894 2.520 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000371294705 477224084 /nfs/dbraw/zinc/22/40/84/477224084.db2.gz MQJDXRGQQSPFBS-MISYRCLQSA-N 2 0 343.471 2.511 20 30 EFEDRP C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411474209 477247847 /nfs/dbraw/zinc/24/78/47/477247847.db2.gz QKLHVUZIZILNAU-LJQANCHMSA-N 2 0 329.488 2.884 20 30 EFEDRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424134329 477302401 /nfs/dbraw/zinc/30/24/01/477302401.db2.gz NJHCDSCAURDTHJ-LJQANCHMSA-N 2 0 342.487 2.556 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000417535784 477455732 /nfs/dbraw/zinc/45/57/32/477455732.db2.gz JOQLCDYHDONSRD-LJQANCHMSA-N 2 0 344.503 2.589 20 30 EFEDRP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000420298141 477672091 /nfs/dbraw/zinc/67/20/91/477672091.db2.gz GVBWOMKEVCEHBL-IRXDYDNUSA-N 2 0 340.475 2.601 20 30 EFEDRP C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000372420007 477795194 /nfs/dbraw/zinc/79/51/94/477795194.db2.gz FRJGXOYTHUFOHW-QUCCMNQESA-N 2 0 341.499 2.631 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821063 477890141 /nfs/dbraw/zinc/89/01/41/477890141.db2.gz RDJDSSXRWSQCBM-YJBOKZPZSA-N 2 0 328.460 2.691 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)CCC[NH+](CC)CC)CC1 ZINC000472103977 478012986 /nfs/dbraw/zinc/01/29/86/478012986.db2.gz LWVQGJZWUUCJOF-UHFFFAOYSA-N 2 0 338.540 2.790 20 30 EFEDRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421332524 478040635 /nfs/dbraw/zinc/04/06/35/478040635.db2.gz MDOSXKTYNPWTFX-UHFFFAOYSA-N 2 0 327.403 2.928 20 30 EFEDRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000459794329 478097080 /nfs/dbraw/zinc/09/70/80/478097080.db2.gz UJVXTXYTSHTISN-GOSISDBHSA-N 2 0 326.488 2.849 20 30 EFEDRP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000488447724 478150245 /nfs/dbraw/zinc/15/02/45/478150245.db2.gz XHRVGWDZZUZGLN-UHFFFAOYSA-N 2 0 327.472 2.944 20 30 EFEDRP CC[N@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1)C(C)C ZINC000518817318 478193862 /nfs/dbraw/zinc/19/38/62/478193862.db2.gz PXGFRAZTESLYON-UHFFFAOYSA-N 2 0 342.487 2.635 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000579826590 478348779 /nfs/dbraw/zinc/34/87/79/478348779.db2.gz HBLOFZGPKQZSBY-IRXDYDNUSA-N 2 0 348.878 2.614 20 30 EFEDRP N#CCC[C@@H](C#N)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000580828591 478369566 /nfs/dbraw/zinc/36/95/66/478369566.db2.gz CTQZZRJOPHGLAX-IBGZPJMESA-N 2 0 339.487 2.622 20 30 EFEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539860756 478447330 /nfs/dbraw/zinc/44/73/30/478447330.db2.gz XAUHAPVZPBBHAL-HXUWFJFHSA-N 2 0 343.515 2.852 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCCC[C@@H]3[NH3+])C2)c(F)c1 ZINC000582175606 478530362 /nfs/dbraw/zinc/53/03/62/478530362.db2.gz LZDIXCLONSVJCG-SZMVWBNQSA-N 2 0 330.451 2.916 20 30 EFEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570793 478583195 /nfs/dbraw/zinc/58/31/95/478583195.db2.gz OHEWISPXKMEPJU-VQIMIIECSA-N 2 0 341.503 2.822 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)C(C)C ZINC000502950057 478833263 /nfs/dbraw/zinc/83/32/63/478833263.db2.gz PAUWCSLDNMNXLJ-IBGZPJMESA-N 2 0 348.535 2.565 20 30 EFEDRP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000598595903 478919181 /nfs/dbraw/zinc/91/91/81/478919181.db2.gz PFWWEYDPKDYUKD-MOPGFXCFSA-N 2 0 329.488 2.741 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000598718466 478989682 /nfs/dbraw/zinc/98/96/82/478989682.db2.gz BLOBGMTZPVWREA-MOPGFXCFSA-N 2 0 329.488 2.789 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316033 479038556 /nfs/dbraw/zinc/03/85/56/479038556.db2.gz XSRJYWZDJPBPOJ-KYJSFNMBSA-N 2 0 330.451 2.644 20 30 EFEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000603112336 479255733 /nfs/dbraw/zinc/25/57/33/479255733.db2.gz WXHRVBUOUUONSB-UHFFFAOYSA-N 2 0 334.508 2.527 20 30 EFEDRP C[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000593323103 479295036 /nfs/dbraw/zinc/29/50/36/479295036.db2.gz PRXFFHWWGDOVOE-JXFKEZNVSA-N 2 0 326.488 2.643 20 30 EFEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392433 479365266 /nfs/dbraw/zinc/36/52/66/479365266.db2.gz VKHANIXLEPABFY-UWJYYQICSA-N 2 0 340.515 2.799 20 30 EFEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392431 479366149 /nfs/dbraw/zinc/36/61/49/479366149.db2.gz VKHANIXLEPABFY-LAUBAEHRSA-N 2 0 340.515 2.799 20 30 EFEDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390611 479366181 /nfs/dbraw/zinc/36/61/81/479366181.db2.gz KWGPMMMORWQMTI-HXUWFJFHSA-N 2 0 326.488 2.553 20 30 EFEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592005 479413691 /nfs/dbraw/zinc/41/36/91/479413691.db2.gz GHVJVJZOZSNXFI-MOPGFXCFSA-N 2 0 342.487 2.569 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691888 479425252 /nfs/dbraw/zinc/42/52/52/479425252.db2.gz TUYDMHZESSTDQM-NHCUHLMSSA-N 2 0 338.499 2.739 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000593691887 479425561 /nfs/dbraw/zinc/42/55/61/479425561.db2.gz TUYDMHZESSTDQM-LEWJYISDSA-N 2 0 338.499 2.739 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000578880769 479625484 /nfs/dbraw/zinc/62/54/84/479625484.db2.gz KJWRMYTUCWRXBT-LYBXBRPPSA-N 2 0 346.515 2.865 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532013 480421652 /nfs/dbraw/zinc/42/16/52/480421652.db2.gz QQYJHAPOZKBXSZ-QUCCMNQESA-N 2 0 346.515 2.865 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641783565 481071920 /nfs/dbraw/zinc/07/19/20/481071920.db2.gz OJDCIWAQOBMUAS-UHFFFAOYSA-N 2 0 336.524 2.544 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668369371 482102366 /nfs/dbraw/zinc/10/23/66/482102366.db2.gz WEPSEZUYUHXBRX-HXUWFJFHSA-N 2 0 341.499 2.633 20 30 EFEDRP C=CCc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782692 534412324 /nfs/dbraw/zinc/41/23/24/534412324.db2.gz ORAZMYFPEBHMFY-ZWKOTPCHSA-N 2 0 330.472 2.951 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171408382 526415061 /nfs/dbraw/zinc/41/50/61/526415061.db2.gz ZQLICIJHLZWPRF-GOSISDBHSA-N 2 0 340.471 2.509 20 30 EFEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557785 528262694 /nfs/dbraw/zinc/26/26/94/528262694.db2.gz GUPVJUSAYTWZAZ-HXUWFJFHSA-N 2 0 340.515 2.844 20 30 EFEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000657337987 547117516 /nfs/dbraw/zinc/11/75/16/547117516.db2.gz FILAYWZNQZWGQQ-UHFFFAOYSA-N 2 0 345.516 2.918 20 30 EFEDRP C=CCCn1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389235 547141001 /nfs/dbraw/zinc/14/10/01/547141001.db2.gz TWLSJFOTZSXBSV-PKOBYXMFSA-N 2 0 339.487 2.997 20 30 EFEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000762480823 576306294 /nfs/dbraw/zinc/30/62/94/576306294.db2.gz CRLPEPUXDHLVMA-DLBZAZTESA-N 2 0 331.460 2.568 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000763959836 576414909 /nfs/dbraw/zinc/41/49/09/576414909.db2.gz CDQCKJRVYSPBHS-UHFFFAOYSA-N 2 0 335.879 2.538 20 30 EFEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769515472 577369225 /nfs/dbraw/zinc/36/92/25/577369225.db2.gz QYMKHGPUNJKCCZ-FXAWDEMLSA-N 2 0 345.487 2.910 20 30 EFEDRP COc1ccc(CN[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000771564120 581223067 /nfs/dbraw/zinc/22/30/67/581223067.db2.gz RGLVAHHYLJTEGZ-UHFFFAOYSA-N 2 0 338.455 2.571 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001752508315 1249750556 /nfs/dbraw/zinc/75/05/56/1249750556.db2.gz QRDGZHKJNJGIHP-ROUUACIJSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001752828010 1251585463 /nfs/dbraw/zinc/58/54/63/1251585463.db2.gz WWENFZZIHNPPDA-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689118 1252201306 /nfs/dbraw/zinc/20/13/06/1252201306.db2.gz AQZWLDKSDKPDIJ-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733769 1252327918 /nfs/dbraw/zinc/32/79/18/1252327918.db2.gz BDMFTIBZFCZTPD-SFHVURJKSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC=C)CC1 ZINC001089735903 1252342199 /nfs/dbraw/zinc/34/21/99/1252342199.db2.gz QMQPLNUCPMJTEF-IBGZPJMESA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574991 1253152621 /nfs/dbraw/zinc/15/26/21/1253152621.db2.gz NNIKBVLCWSLNHR-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1(C)C ZINC000995895042 1254818981 /nfs/dbraw/zinc/81/89/81/1254818981.db2.gz LQVYDUFWYHVFOO-HOTGVXAUSA-N 2 0 341.927 2.543 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995903119 1254826038 /nfs/dbraw/zinc/82/60/38/1254826038.db2.gz JVCRZVSTAUPJMW-HOTGVXAUSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996379745 1255261488 /nfs/dbraw/zinc/26/14/88/1255261488.db2.gz OIVHOVOZJRUKEG-JKSUJKDBSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996662028 1255673276 /nfs/dbraw/zinc/67/32/76/1255673276.db2.gz LRKLHKGDZOIIBX-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996662025 1255673655 /nfs/dbraw/zinc/67/36/55/1255673655.db2.gz LRKLHKGDZOIIBX-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107412208 1255775328 /nfs/dbraw/zinc/77/53/28/1255775328.db2.gz NPTZKOZKHZSQMZ-SOAMZJECSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107436291 1255813512 /nfs/dbraw/zinc/81/35/12/1255813512.db2.gz UGCLZNIGIQQJQJ-NLWGTHIKSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442916 1255831086 /nfs/dbraw/zinc/83/10/86/1255831086.db2.gz RJHNHIJFSHSYJO-QWFCFKBJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444601 1255834665 /nfs/dbraw/zinc/83/46/65/1255834665.db2.gz QVSSYCFWAUNOHV-WSTZPKSXSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CCC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821572 1256000427 /nfs/dbraw/zinc/00/04/27/1256000427.db2.gz PPIVSLXVXLHJFR-UYAOXDASSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521112 1256044167 /nfs/dbraw/zinc/04/41/67/1256044167.db2.gz MPAJXWTWSRUSCK-IEBWSBKVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521009 1256044866 /nfs/dbraw/zinc/04/48/66/1256044866.db2.gz GZNMCVQXAQBRNC-IEBWSBKVSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609243 1256288280 /nfs/dbraw/zinc/28/82/80/1256288280.db2.gz KMVMFTLBUCDYKC-NLWGTHIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997001741 1256658824 /nfs/dbraw/zinc/65/88/24/1256658824.db2.gz MYEBMPIMWCYOHR-UHFFFAOYSA-N 2 0 349.906 2.737 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000997119486 1256973631 /nfs/dbraw/zinc/97/36/31/1256973631.db2.gz KFYKBVOGADHDAW-CQSZACIVSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997190940 1257249650 /nfs/dbraw/zinc/24/96/50/1257249650.db2.gz OFSKLZIMQUJQSP-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997299799 1257370948 /nfs/dbraw/zinc/37/09/48/1257370948.db2.gz FOFRGISLNHBCPU-QGZVFWFLSA-N 2 0 343.515 2.807 20 30 EFEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997344507 1257404080 /nfs/dbraw/zinc/40/40/80/1257404080.db2.gz FKYRBXSRVUIBSQ-QGZVFWFLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CN(C)C ZINC001032430971 1257433361 /nfs/dbraw/zinc/43/33/61/1257433361.db2.gz LALIEQUIMCXHQO-HOTGVXAUSA-N 2 0 333.501 2.675 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC000997435536 1257580372 /nfs/dbraw/zinc/58/03/72/1257580372.db2.gz VBFYJBJXJAPBDO-ZWKOTPCHSA-N 2 0 347.547 2.594 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997431133 1257596014 /nfs/dbraw/zinc/59/60/14/1257596014.db2.gz KOKIHTKHLOHPTK-QGZVFWFLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006223 1258935885 /nfs/dbraw/zinc/93/58/85/1258935885.db2.gz JHNIEBVEHWMENG-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000998006319 1258936609 /nfs/dbraw/zinc/93/66/09/1258936609.db2.gz RRDVMSRUJDLPTE-RTBURBONSA-N 2 0 333.520 2.586 20 30 EFEDRP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020329 1258971175 /nfs/dbraw/zinc/97/11/75/1258971175.db2.gz CIWXFKILEWTSLI-WOJBJXKFSA-N 2 0 347.547 2.691 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020314 1258971729 /nfs/dbraw/zinc/97/17/29/1258971729.db2.gz CIWXFKILEWTSLI-PMACEKPBSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC000998051900 1259034759 /nfs/dbraw/zinc/03/47/59/1259034759.db2.gz NQVDBOOYOHFKHV-QZTJIDSGSA-N 2 0 344.503 2.725 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000998064346 1259056899 /nfs/dbraw/zinc/05/68/99/1259056899.db2.gz RQXISLCDJPWMRB-GOSISDBHSA-N 2 0 338.455 2.674 20 30 EFEDRP C=C(C)CN1CC2(CCC1=O)CC[NH+](CC1CC[NH+](CC)CC1)CC2 ZINC001273144568 1260182847 /nfs/dbraw/zinc/18/28/47/1260182847.db2.gz RBKCFTNXUASSNE-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001112540236 1260408865 /nfs/dbraw/zinc/40/88/65/1260408865.db2.gz MQUNYHDSRJXFIP-ICSRJNTNSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000999504318 1260694220 /nfs/dbraw/zinc/69/42/20/1260694220.db2.gz ZCGFBLJHSLXFFW-FHERZECASA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000999899144 1260954215 /nfs/dbraw/zinc/95/42/15/1260954215.db2.gz AXSUALQHAWFONJ-UHFFFAOYSA-N 2 0 333.476 2.890 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999984219 1261025038 /nfs/dbraw/zinc/02/50/38/1261025038.db2.gz OHTYTUJWHZXZMH-PKOBYXMFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000999984215 1261025439 /nfs/dbraw/zinc/02/54/39/1261025439.db2.gz OHTYTUJWHZXZMH-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(c1ccccc1)N(C)C ZINC001032725521 1261080682 /nfs/dbraw/zinc/08/06/82/1261080682.db2.gz OMHUGACUNWIZSS-IRFCIJBXSA-N 2 0 341.499 2.715 20 30 EFEDRP C=CCN1c2ccccc2[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870462 1261196653 /nfs/dbraw/zinc/19/66/53/1261196653.db2.gz PQDWXAJENHLUQL-OAQYLSRUSA-N 2 0 341.499 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902718 1261691931 /nfs/dbraw/zinc/69/19/31/1261691931.db2.gz WOTLAQKCNXBPIF-CADBVGFASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001355540 1262131439 /nfs/dbraw/zinc/13/14/39/1262131439.db2.gz YDCDALGLSHEQKJ-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C12CCC2 ZINC001078687799 1262207673 /nfs/dbraw/zinc/20/76/73/1262207673.db2.gz FSYOQRVDDUZQPY-OALUTQOASA-N 2 0 341.499 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C12CCC2 ZINC001078726913 1262231491 /nfs/dbraw/zinc/23/14/91/1262231491.db2.gz ZUVMQWBYWZNTQM-MOPGFXCFSA-N 2 0 341.499 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078748841 1262269020 /nfs/dbraw/zinc/26/90/20/1262269020.db2.gz GFAAHTNQVKWLMD-QZTJIDSGSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001078747658 1262296271 /nfs/dbraw/zinc/29/62/71/1262296271.db2.gz SWLXRRGBNSUSPH-RBUKOAKNSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819415 1262362344 /nfs/dbraw/zinc/36/23/44/1262362344.db2.gz NAZFDFODXPQTNX-RBUKOAKNSA-N 2 0 341.499 2.955 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C12CCC2 ZINC001078819062 1262362584 /nfs/dbraw/zinc/36/25/84/1262362584.db2.gz IDHZTMXBJKVNEL-QZTJIDSGSA-N 2 0 327.472 2.565 20 30 EFEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C12CCC2 ZINC001078823545 1262410982 /nfs/dbraw/zinc/41/09/82/1262410982.db2.gz QDJOZSLRBCCSLB-MSOLQXFVSA-N 2 0 345.487 2.938 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001082852067 1263368808 /nfs/dbraw/zinc/36/88/08/1263368808.db2.gz RCSBGMVKTPTAST-DJIMGWMZSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545425 1264013167 /nfs/dbraw/zinc/01/31/67/1264013167.db2.gz JSPNDGSLOWTQEY-UYAOXDASSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084604073 1264068472 /nfs/dbraw/zinc/06/84/72/1264068472.db2.gz YUTVBXGZAMTJNZ-MISYRCLQSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001003016009 1264469019 /nfs/dbraw/zinc/46/90/19/1264469019.db2.gz HRQFANDRTHTMFM-IBGZPJMESA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944252 1264716073 /nfs/dbraw/zinc/71/60/73/1264716073.db2.gz BZCMZWISCGQHDJ-KURKYZTESA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978189 1264806145 /nfs/dbraw/zinc/80/61/45/1264806145.db2.gz BFRBJAQZBOPPNA-QRVBRYPASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCN1CC[C@@]2(CCC[N@@H+](CCC3CC[NH+](C)CC3)CC2)C1=O ZINC001273039718 1266552429 /nfs/dbraw/zinc/55/24/29/1266552429.db2.gz TZFLKPPJFWXABB-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCN1CC2(CCC1=O)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001273039809 1266555550 /nfs/dbraw/zinc/55/55/50/1266555550.db2.gz WGYXPASTZZLMEX-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001171069350 1278295341 /nfs/dbraw/zinc/29/53/41/1278295341.db2.gz QFECVOBKTADJCO-SJORKVTESA-N 2 0 329.504 2.897 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001085275064 1266999568 /nfs/dbraw/zinc/99/95/68/1266999568.db2.gz MTQQPOFAKMZZDQ-HZPDHXFCSA-N 2 0 332.835 2.717 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004438979 1267000664 /nfs/dbraw/zinc/00/06/64/1267000664.db2.gz XTWGSJQBVQHFNC-RBUKOAKNSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001085284647 1267017399 /nfs/dbraw/zinc/01/73/99/1267017399.db2.gz FSZJQKLASDWELG-ZACQAIPSSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004445890 1267019785 /nfs/dbraw/zinc/01/97/85/1267019785.db2.gz JJSATOMJPNCZGS-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004453919 1267050566 /nfs/dbraw/zinc/05/05/66/1267050566.db2.gz XUAUZVHXXCDVLI-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004456321 1267083289 /nfs/dbraw/zinc/08/32/89/1267083289.db2.gz DLUMMOMSMFJEKK-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001004456731 1267085760 /nfs/dbraw/zinc/08/57/60/1267085760.db2.gz HDUFZNHIXOTYQD-VQTJNVASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004457970 1267093724 /nfs/dbraw/zinc/09/37/24/1267093724.db2.gz MULUAOZGCMTARM-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001004473172 1267120293 /nfs/dbraw/zinc/12/02/93/1267120293.db2.gz LDPCKNPSWLAJSY-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621474 1267195224 /nfs/dbraw/zinc/19/52/24/1267195224.db2.gz ZQNLZKSMXLCEOC-ZCNNSNEGSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001004522489 1267213857 /nfs/dbraw/zinc/21/38/57/1267213857.db2.gz NWAOWGCVOFMRMB-YSIASYRMSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004545618 1267266747 /nfs/dbraw/zinc/26/67/47/1267266747.db2.gz FCGQKPGNASDMHA-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004539545 1267280710 /nfs/dbraw/zinc/28/07/10/1267280710.db2.gz KCTWHRCAWFELPB-RBUKOAKNSA-N 2 0 335.536 2.852 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001004567023 1267301522 /nfs/dbraw/zinc/30/15/22/1267301522.db2.gz GOUXLXBELCNZNE-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001004570384 1267305757 /nfs/dbraw/zinc/30/57/57/1267305757.db2.gz RWSKJOCIALVXTL-ICSRJNTNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001085380464 1267317631 /nfs/dbraw/zinc/31/76/31/1267317631.db2.gz ZVQCMSRIHYVMKV-IAGOWNOFSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004594617 1267359508 /nfs/dbraw/zinc/35/95/08/1267359508.db2.gz BAZRJNDHJDJARV-GOSISDBHSA-N 2 0 342.487 2.650 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001004619002 1267412674 /nfs/dbraw/zinc/41/26/74/1267412674.db2.gz JBTJXJMBDMFSDQ-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004619010 1267413444 /nfs/dbraw/zinc/41/34/44/1267413444.db2.gz ZEFQKASEAGJYGV-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004620850 1267416803 /nfs/dbraw/zinc/41/68/03/1267416803.db2.gz RLLIDYKSTHRAFH-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697492 1267730495 /nfs/dbraw/zinc/73/04/95/1267730495.db2.gz UQWNRPQSEKXJMG-HSALFYBXSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697493 1267730768 /nfs/dbraw/zinc/73/07/68/1267730768.db2.gz UQWNRPQSEKXJMG-ZCNNSNEGSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598102 1267962220 /nfs/dbraw/zinc/96/22/20/1267962220.db2.gz MYRMGIHPDIUOFA-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946743380 1267975802 /nfs/dbraw/zinc/97/58/02/1267975802.db2.gz ROLLKWLIGHFJEE-CALCHBBNSA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639971 1268095244 /nfs/dbraw/zinc/09/52/44/1268095244.db2.gz ZOLKHCRUOMBRFC-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213175 1268221270 /nfs/dbraw/zinc/22/12/70/1268221270.db2.gz HVFPJCWTFCIGNU-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)CC[C@@H]2C1 ZINC000946803806 1268740596 /nfs/dbraw/zinc/74/05/96/1268740596.db2.gz WPBCRXHIVWFNFL-QRVBRYPASA-N 2 0 344.503 2.971 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366660 1268948745 /nfs/dbraw/zinc/94/87/45/1268948745.db2.gz YACBTTNCXZWWJR-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422670 1269127092 /nfs/dbraw/zinc/12/70/92/1269127092.db2.gz KDLBEAQFMKAOMZ-HXUWFJFHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033424490 1269130774 /nfs/dbraw/zinc/13/07/74/1269130774.db2.gz ZWLRWQPHYQXXML-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001006273293 1269150984 /nfs/dbraw/zinc/15/09/84/1269150984.db2.gz AZXIYHOBVQZYOS-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683919 1269791201 /nfs/dbraw/zinc/79/12/01/1269791201.db2.gz JPOKLUYENWKDNK-IBGZPJMESA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086106966 1269997226 /nfs/dbraw/zinc/99/72/26/1269997226.db2.gz GAZFDHMUWWDXRM-UXLLHSPISA-N 2 0 339.911 2.630 20 30 EFEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835650 1270308254 /nfs/dbraw/zinc/30/82/54/1270308254.db2.gz KHIQXSKNCRGTSY-UYAOXDASSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@@H]2C1 ZINC000946821471 1270478563 /nfs/dbraw/zinc/47/85/63/1270478563.db2.gz OEGLNBKSPXMOIE-BGYRXZFFSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033954207 1270684131 /nfs/dbraw/zinc/68/41/31/1270684131.db2.gz QPNYQAFTKMWTFG-HXUWFJFHSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034004747 1270860233 /nfs/dbraw/zinc/86/02/33/1270860233.db2.gz QNDCZIXODLDXDC-LJQANCHMSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2=CCCCC2)C1 ZINC001034249605 1271424428 /nfs/dbraw/zinc/42/44/28/1271424428.db2.gz LSPCUTGCUPPEHY-UXHICEINSA-N 2 0 343.515 2.555 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249619 1271424462 /nfs/dbraw/zinc/42/44/62/1271424462.db2.gz LZTBIWQXNIZWEN-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285160 1271534315 /nfs/dbraw/zinc/53/43/15/1271534315.db2.gz QEPRSFQCOKSNBX-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086455838 1271568717 /nfs/dbraw/zinc/56/87/17/1271568717.db2.gz GBOZXDOJHNHMJK-ZHALLVOQSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034366650 1271786956 /nfs/dbraw/zinc/78/69/56/1271786956.db2.gz BZMZLGQBEOUSCP-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034366146 1271787738 /nfs/dbraw/zinc/78/77/38/1271787738.db2.gz XEOCVVIFIFWHLX-ZWKOTPCHSA-N 2 0 344.503 2.691 20 30 EFEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034544172 1272258992 /nfs/dbraw/zinc/25/89/92/1272258992.db2.gz GETWCKIHGRMOEA-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001034698576 1272652048 /nfs/dbraw/zinc/65/20/48/1272652048.db2.gz PFSSMMCAIZCGAB-IYARVYRRSA-N 2 0 329.488 2.607 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169125928 1272680184 /nfs/dbraw/zinc/68/01/84/1272680184.db2.gz NXIPIUMYHFEOTJ-DMUMMCEESA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169133001 1272692354 /nfs/dbraw/zinc/69/23/54/1272692354.db2.gz BDMZKVOBGSISLG-XFKSJGNHSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001034712164 1272706364 /nfs/dbraw/zinc/70/63/64/1272706364.db2.gz RYRCILVMDGJMLY-ULQDDVLXSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001034732464 1272755444 /nfs/dbraw/zinc/75/54/44/1272755444.db2.gz BIFQKJCVQGVTAJ-GPMSIDNRSA-N 2 0 339.499 2.792 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001108687695 1273362251 /nfs/dbraw/zinc/36/22/51/1273362251.db2.gz IAOIFZCTCTWRDT-BZSNNMDCSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001108697317 1273385784 /nfs/dbraw/zinc/38/57/84/1273385784.db2.gz XLJUDNOPWGHHED-UAGQMJEPSA-N 2 0 347.528 2.969 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001108715092 1273395269 /nfs/dbraw/zinc/39/52/69/1273395269.db2.gz SKLIZJNYZVTDNO-LNLFQRSKSA-N 2 0 345.531 2.632 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001108734707 1273424385 /nfs/dbraw/zinc/42/43/85/1273424385.db2.gz XHCIFQOSNZODPF-BZSNNMDCSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738812 1273429615 /nfs/dbraw/zinc/42/96/15/1273429615.db2.gz IRJXEOGVIXQVLG-BZSNNMDCSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108764028 1273466902 /nfs/dbraw/zinc/46/69/02/1273466902.db2.gz BSYRQCAKEIADOM-KSZLIROESA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001108785449 1273472045 /nfs/dbraw/zinc/47/20/45/1273472045.db2.gz FNDIFABRSZXPDK-OTWHNJEPSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001108830831 1273522145 /nfs/dbraw/zinc/52/21/45/1273522145.db2.gz YLJSANCUXHBQEH-SXLOBPIMSA-N 2 0 341.499 2.907 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001108823812 1273532973 /nfs/dbraw/zinc/53/29/73/1273532973.db2.gz QZUYFZLIERDUMN-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197412 1273761615 /nfs/dbraw/zinc/76/16/15/1273761615.db2.gz MNMZYVAJDPSZIY-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[NH+]31)CC2 ZINC001035197134 1273762804 /nfs/dbraw/zinc/76/28/04/1273762804.db2.gz ISVLIWBBSSBXFJ-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193645 1273815492 /nfs/dbraw/zinc/81/54/92/1273815492.db2.gz KEMKLPLUFWGGTK-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193646 1273815791 /nfs/dbraw/zinc/81/57/91/1273815791.db2.gz KEMKLPLUFWGGTK-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035227072 1273846147 /nfs/dbraw/zinc/84/61/47/1273846147.db2.gz NMYNELBQXPZJDG-INIZCTEOSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035226990 1273847954 /nfs/dbraw/zinc/84/79/54/1273847954.db2.gz MDLQGHAIJYLDQS-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035213186 1273868849 /nfs/dbraw/zinc/86/88/49/1273868849.db2.gz RIGMUIVAWBDBSS-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035215608 1273874367 /nfs/dbraw/zinc/87/43/67/1273874367.db2.gz JHZVPVCLLMNKTM-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035244512 1273915750 /nfs/dbraw/zinc/91/57/50/1273915750.db2.gz PTVLCSBKBWCTBS-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248648 1273927764 /nfs/dbraw/zinc/92/77/64/1273927764.db2.gz FGHBLISONJRLPJ-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035249309 1273929588 /nfs/dbraw/zinc/92/95/88/1273929588.db2.gz PVZLAFTZRBXMPI-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035248876 1273930715 /nfs/dbraw/zinc/93/07/15/1273930715.db2.gz LDGCTPCHLCUFTM-UHFFFAOYSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260153 1273955415 /nfs/dbraw/zinc/95/54/15/1273955415.db2.gz PRSNSGUEXWJEMU-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035260022 1273955908 /nfs/dbraw/zinc/95/59/08/1273955908.db2.gz NJFBEVVDNUPYQM-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C2 ZINC001109433305 1274269923 /nfs/dbraw/zinc/26/99/23/1274269923.db2.gz INYQYIPRPGUPDA-VSZNYVQBSA-N 2 0 330.476 2.768 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109562807 1274428448 /nfs/dbraw/zinc/42/84/48/1274428448.db2.gz BOBASXGOXMVJDF-QYZOEREBSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CC2 ZINC001035773036 1274498070 /nfs/dbraw/zinc/49/80/70/1274498070.db2.gz ONMROUUCBCACFD-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810439 1274540663 /nfs/dbraw/zinc/54/06/63/1274540663.db2.gz LHSJHFKUBDRNHF-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814985 1274548413 /nfs/dbraw/zinc/54/84/13/1274548413.db2.gz XCAVTEXRQGYIOY-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035815129 1274548899 /nfs/dbraw/zinc/54/88/99/1274548899.db2.gz YPWGGSUZMSCEQT-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836106 1274572963 /nfs/dbraw/zinc/57/29/63/1274572963.db2.gz GHXUOJUQTYEMEH-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836108 1274573229 /nfs/dbraw/zinc/57/32/29/1274573229.db2.gz GHXUOJUQTYEMEH-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798479 1274645465 /nfs/dbraw/zinc/64/54/65/1274645465.db2.gz HWZGKSQUQDNZJV-NQYYFHDYSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171118199 1278899740 /nfs/dbraw/zinc/89/97/40/1278899740.db2.gz DIAFUJDDAMIZIG-HZPDHXFCSA-N 2 0 329.916 2.878 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001036048716 1274968537 /nfs/dbraw/zinc/96/85/37/1274968537.db2.gz NMVCHKJEUMYHOL-GOEBONIOSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566319 1275202008 /nfs/dbraw/zinc/20/20/08/1275202008.db2.gz XDCRJISGEQXKEL-WMZOPIPTSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+](C)C)C2 ZINC001112566216 1275202451 /nfs/dbraw/zinc/20/24/51/1275202451.db2.gz QGHKWGOUJDBEQM-ICSRJNTNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001036196586 1275208396 /nfs/dbraw/zinc/20/83/96/1275208396.db2.gz UNYQYIOFNKSLKO-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001036302548 1275383970 /nfs/dbraw/zinc/38/39/70/1275383970.db2.gz JIJUAGIGOWBIFQ-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666877 1275738608 /nfs/dbraw/zinc/73/86/08/1275738608.db2.gz BGLGHYGBWIFAJE-LJQANCHMSA-N 2 0 327.472 2.991 20 30 EFEDRP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855128 1276111003 /nfs/dbraw/zinc/11/10/03/1276111003.db2.gz LJMIREVJXATSBT-RTBURBONSA-N 2 0 335.536 2.975 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135996037 1276287125 /nfs/dbraw/zinc/28/71/25/1276287125.db2.gz PRSFSPIXMJSYPQ-SJORKVTESA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001273146264 1276309102 /nfs/dbraw/zinc/30/91/02/1276309102.db2.gz IYWPERNXBXFIKX-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900460 1276506158 /nfs/dbraw/zinc/50/61/58/1276506158.db2.gz UCJVTORYMBUVOU-NSHDSACASA-N 2 0 342.205 2.988 20 30 EFEDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819138998 1276624276 /nfs/dbraw/zinc/62/42/76/1276624276.db2.gz AMRGUDXNEGYQCK-FQEVSTJZSA-N 2 0 329.488 2.939 20 30 EFEDRP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000819128593 1276643505 /nfs/dbraw/zinc/64/35/05/1276643505.db2.gz OKZNIAYOGLCLAD-FQEVSTJZSA-N 2 0 327.472 2.978 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005893846 1276677378 /nfs/dbraw/zinc/67/73/78/1276677378.db2.gz QVZNJQCAFCMUMO-UHFFFAOYSA-N 2 0 333.476 2.844 20 30 EFEDRP C=C(Cl)CN1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC001005894753 1276682456 /nfs/dbraw/zinc/68/24/56/1276682456.db2.gz ZUICGHYUSIKBJL-UHFFFAOYSA-N 2 0 339.867 2.630 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)CC[C@@H]2C1 ZINC000946856824 1276747674 /nfs/dbraw/zinc/74/76/74/1276747674.db2.gz PTIBJFGYMJKJND-HSALFYBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC[C@@H]2C1 ZINC000946859168 1276786187 /nfs/dbraw/zinc/78/61/87/1276786187.db2.gz MAOJQSTXZBIZFY-YSTOQKLRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001005990482 1277318298 /nfs/dbraw/zinc/31/82/98/1277318298.db2.gz HMWUHFSYCODJRH-UHFFFAOYSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113247841 1277372646 /nfs/dbraw/zinc/37/26/46/1277372646.db2.gz IKVQDNWVTQCSNL-LJQANCHMSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001113252316 1277405172 /nfs/dbraw/zinc/40/51/72/1277405172.db2.gz INIPPCAJRZVAGT-LJQANCHMSA-N 2 0 333.520 2.894 20 30 EFEDRP [NH2+]=C(Nc1ccc2c(c1)COC21C[NH2+]C1)c1ccc2cc(O)ccc2c1 ZINC001171185075 1279644456 /nfs/dbraw/zinc/64/44/56/1279644456.db2.gz DUYGINOJTFPXQW-UHFFFAOYSA-N 2 0 345.402 2.911 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175273848 1287369807 /nfs/dbraw/zinc/36/98/07/1287369807.db2.gz XTJPPAXJEIPJOK-OAHLLOKOSA-N 2 0 331.932 2.981 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C(C)(C)CCNCCC(C)(C)[NH3+] ZINC001171195780 1279752338 /nfs/dbraw/zinc/75/23/38/1279752338.db2.gz UKWNMVLKYWAOPA-INIZCTEOSA-N 2 0 330.520 2.965 20 30 EFEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001091199246 1280084562 /nfs/dbraw/zinc/08/45/62/1280084562.db2.gz GBOZXDOJHNHMJK-TVPLGVNVSA-N 2 0 333.520 2.844 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001114285732 1280120988 /nfs/dbraw/zinc/12/09/88/1280120988.db2.gz SJESVKQYTPPIQP-IJXRJRJASA-N 2 0 345.531 2.654 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248984 1280447803 /nfs/dbraw/zinc/44/78/03/1280447803.db2.gz ZRWZQIXDWJRCFW-PKOBYXMFSA-N 2 0 333.520 2.681 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001171248982 1280448281 /nfs/dbraw/zinc/44/82/81/1280448281.db2.gz ZRWZQIXDWJRCFW-IEBWSBKVSA-N 2 0 333.520 2.681 20 30 EFEDRP Cc1cc(C#N)ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000846747740 1280474239 /nfs/dbraw/zinc/47/42/39/1280474239.db2.gz VFKDBYDGCCGRBL-UHFFFAOYSA-N 2 0 335.455 2.886 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613695 1280952176 /nfs/dbraw/zinc/95/21/76/1280952176.db2.gz UPBNRSHUSXSBPB-QZTJIDSGSA-N 2 0 347.547 2.785 20 30 EFEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001146702648 1280982478 /nfs/dbraw/zinc/98/24/78/1280982478.db2.gz YQWMBLXPAOTHAL-HZPDHXFCSA-N 2 0 333.476 2.631 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742891 1281261394 /nfs/dbraw/zinc/26/13/94/1281261394.db2.gz SIWDKEYPHDLIFO-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001147842252 1281316828 /nfs/dbraw/zinc/31/68/28/1281316828.db2.gz ZDCBDYLLCUMRRN-RTBURBONSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965398 1281364515 /nfs/dbraw/zinc/36/45/15/1281364515.db2.gz GXBKOAYGICXTIN-HKUYNNGSSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001147965403 1281365463 /nfs/dbraw/zinc/36/54/63/1281365463.db2.gz GXBKOAYGICXTIN-IEBWSBKVSA-N 2 0 345.531 2.750 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148285090 1281495359 /nfs/dbraw/zinc/49/53/59/1281495359.db2.gz MEOOVSQSJBNTBL-GOSISDBHSA-N 2 0 335.536 2.833 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001148457925 1281557038 /nfs/dbraw/zinc/55/70/38/1281557038.db2.gz DSKONDFKHZURJC-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCOc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC001148466653 1281562428 /nfs/dbraw/zinc/56/24/28/1281562428.db2.gz WFCQXKPHWXXFHR-UHFFFAOYSA-N 2 0 347.503 2.597 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605746 1281648914 /nfs/dbraw/zinc/64/89/14/1281648914.db2.gz TZTTYPBGXNTMCN-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001148612243 1281652813 /nfs/dbraw/zinc/65/28/13/1281652813.db2.gz XUMQLXZVLKIREC-IBGZPJMESA-N 2 0 341.499 2.790 20 30 EFEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148591719 1281665428 /nfs/dbraw/zinc/66/54/28/1281665428.db2.gz WACXQAKJMGLMQM-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737113 1281680462 /nfs/dbraw/zinc/68/04/62/1281680462.db2.gz IXLRLRKDJLJNHX-DYXWJJEUSA-N 2 0 347.547 2.996 20 30 EFEDRP C[C@H](C#N)c1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001148616553 1281681050 /nfs/dbraw/zinc/68/10/50/1281681050.db2.gz YOWXSJIISQXSDY-QGZVFWFLSA-N 2 0 344.503 2.659 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737115 1281681370 /nfs/dbraw/zinc/68/13/70/1281681370.db2.gz IXLRLRKDJLJNHX-SBHAEUEKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001148838580 1281779415 /nfs/dbraw/zinc/77/94/15/1281779415.db2.gz AVCWKSUXJFUYQM-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839249 1281779687 /nfs/dbraw/zinc/77/96/87/1281779687.db2.gz ODWPWDHDZCGQAS-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754229 1281798793 /nfs/dbraw/zinc/79/87/93/1281798793.db2.gz KCRZEIDYJVFSTQ-HBFSDRIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924301 1281938728 /nfs/dbraw/zinc/93/87/28/1281938728.db2.gz OUCTYDNRRDGCHS-KZNAEPCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939624 1281967027 /nfs/dbraw/zinc/96/70/27/1281967027.db2.gz VYLYISFFCJDCEA-OTWHNJEPSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086942106 1281972591 /nfs/dbraw/zinc/97/25/91/1281972591.db2.gz JBDXLBAVVYKYJG-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946975 1281985321 /nfs/dbraw/zinc/98/53/21/1281985321.db2.gz NJZPEWSHSCXURF-QGZVFWFLSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086946974 1281985331 /nfs/dbraw/zinc/98/53/31/1281985331.db2.gz NJZPEWSHSCXURF-KRWDZBQOSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947061 1281986933 /nfs/dbraw/zinc/98/69/33/1281986933.db2.gz OUPWLOYZTOYIHT-SFHVURJKSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947231 1281986974 /nfs/dbraw/zinc/98/69/74/1281986974.db2.gz SCRXQJIQEBFRKY-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958264 1282032263 /nfs/dbraw/zinc/03/22/63/1282032263.db2.gz KXRBAWOOEARXOO-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943735 1282271920 /nfs/dbraw/zinc/27/19/20/1282271920.db2.gz FARHZLQMLLYLDG-ZVDOUQERSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071234 1282367013 /nfs/dbraw/zinc/36/70/13/1282367013.db2.gz MLTOAUOBLKBHSX-GGPKGHCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480456 1282478451 /nfs/dbraw/zinc/47/84/51/1282478451.db2.gz MPLNLCMARQGUHZ-GOSISDBHSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175874788 1287597575 /nfs/dbraw/zinc/59/75/75/1287597575.db2.gz WFMWVUDXJFJTLQ-MRXNPFEDSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC001092608101 1282844587 /nfs/dbraw/zinc/84/45/87/1282844587.db2.gz ILNOOSKWJCIXPK-GUDVDZBRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092756915 1283007014 /nfs/dbraw/zinc/00/70/14/1283007014.db2.gz LUCGFWUAWMLJKA-GDBMZVCRSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132129097 1283013698 /nfs/dbraw/zinc/01/36/98/1283013698.db2.gz SAJDLJAXGAKFBT-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](C)C1 ZINC001092906735 1283112692 /nfs/dbraw/zinc/11/26/92/1283112692.db2.gz DZSKBTHWZPNSLC-HYVNUMGLSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056831 1283191290 /nfs/dbraw/zinc/19/12/90/1283191290.db2.gz RLIUFSXXZMXBAK-VQIMIIECSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@H]21 ZINC001036731403 1283291897 /nfs/dbraw/zinc/29/18/97/1283291897.db2.gz SSBZVZZFRYISHU-DOTOQJQBSA-N 2 0 347.528 2.922 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754431 1283421741 /nfs/dbraw/zinc/42/17/41/1283421741.db2.gz FYTSHCFOLVUDGS-APWZRJJASA-N 2 0 338.455 2.755 20 30 EFEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755580 1283428744 /nfs/dbraw/zinc/42/87/44/1283428744.db2.gz ZFIXLOZTEQGNNJ-IEBWSBKVSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093223903 1283513402 /nfs/dbraw/zinc/51/34/02/1283513402.db2.gz JDYIBWXWDMTUAZ-SJLPKXTDSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773782 1283555139 /nfs/dbraw/zinc/55/51/39/1283555139.db2.gz SVIGVVUCPGVWQI-VQIMIIECSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773719 1283556163 /nfs/dbraw/zinc/55/61/63/1283556163.db2.gz RWGNJLXYOSQGHU-PBHICJAKSA-N 2 0 344.846 2.623 20 30 EFEDRP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025195 1287660347 /nfs/dbraw/zinc/66/03/47/1287660347.db2.gz YXTROZZMBXRMPW-AWEZNQCLSA-N 2 0 348.329 2.501 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793722 1283723292 /nfs/dbraw/zinc/72/32/92/1283723292.db2.gz KKYNRRVTLHWVAR-JKSUJKDBSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793597 1283724190 /nfs/dbraw/zinc/72/41/90/1283724190.db2.gz HYXQXUGQVJKVJW-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801286 1283767540 /nfs/dbraw/zinc/76/75/40/1283767540.db2.gz JDZNCVJMGJADFE-WMZOPIPTSA-N 2 0 345.487 2.844 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518632 1283779505 /nfs/dbraw/zinc/77/95/05/1283779505.db2.gz LZVJSNCXMUFHNJ-AZUAARDMSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC/C=C\CC)C2)CC1 ZINC001132518642 1283779825 /nfs/dbraw/zinc/77/98/25/1283779825.db2.gz MBUNGTBRALHSIV-DDRDIHNTSA-N 2 0 345.531 2.657 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093371650 1283809400 /nfs/dbraw/zinc/80/94/00/1283809400.db2.gz AMFANZCPEAUADU-MOPGFXCFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093372611 1283812844 /nfs/dbraw/zinc/81/28/44/1283812844.db2.gz FYCLTMXLORKAEO-RTBURBONSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093382845 1283853712 /nfs/dbraw/zinc/85/37/12/1283853712.db2.gz FDAKAEYABFWGHR-OALUTQOASA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000815652596 1287671636 /nfs/dbraw/zinc/67/16/36/1287671636.db2.gz JMENJTBECYBPAP-FDFHNCONSA-N 2 0 339.527 2.832 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[C@@H]21 ZINC001036821331 1284061943 /nfs/dbraw/zinc/06/19/43/1284061943.db2.gz YIEFNQXLFZJQQD-PMACEKPBSA-N 2 0 341.499 2.513 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132832496 1284361737 /nfs/dbraw/zinc/36/17/37/1284361737.db2.gz XNZXUXANBXZSOI-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148170 1284382798 /nfs/dbraw/zinc/38/27/98/1284382798.db2.gz MHEGTPVDQGDVMB-YRXWBPOGSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036866921 1284440023 /nfs/dbraw/zinc/44/00/23/1284440023.db2.gz MKQRXRBULYLWAF-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC001036866920 1284440199 /nfs/dbraw/zinc/44/01/99/1284440199.db2.gz MKQRXRBULYLWAF-UXHICEINSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001176112603 1287713777 /nfs/dbraw/zinc/71/37/77/1287713777.db2.gz WTVFUCOMKCMENC-OALUTQOASA-N 2 0 335.536 2.929 20 30 EFEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001176112043 1287714046 /nfs/dbraw/zinc/71/40/46/1287714046.db2.gz MRZDKZIAPMRVCN-PXNSSMCTSA-N 2 0 331.504 2.914 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112575 1287714091 /nfs/dbraw/zinc/71/40/91/1287714091.db2.gz WDZDGSUBUAVSAE-QGZVFWFLSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132922808 1284470090 /nfs/dbraw/zinc/47/00/90/1284470090.db2.gz AEEONOVKQZBMHZ-ROUUACIJSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132922812 1284470282 /nfs/dbraw/zinc/47/02/82/1284470282.db2.gz AEOXUVYVGSCDFE-ROUUACIJSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132922807 1284470463 /nfs/dbraw/zinc/47/04/63/1284470463.db2.gz AEEONOVKQZBMHZ-QZTJIDSGSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001132923253 1284471548 /nfs/dbraw/zinc/47/15/48/1284471548.db2.gz FVFRYZFTOXQEGD-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001132925395 1284474513 /nfs/dbraw/zinc/47/45/13/1284474513.db2.gz XJPVMUSWKJSIRB-OALUTQOASA-N 2 0 347.547 2.903 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132942210 1284498898 /nfs/dbraw/zinc/49/88/98/1284498898.db2.gz YILKODKXYXJXFS-DLBZAZTESA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132942212 1284499197 /nfs/dbraw/zinc/49/91/97/1284499197.db2.gz YILKODKXYXJXFS-IRXDYDNUSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132953551 1284535620 /nfs/dbraw/zinc/53/56/20/1284535620.db2.gz GIAVDMMTXDVZLY-RDJZCZTQSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011372 1284653765 /nfs/dbraw/zinc/65/37/65/1284653765.db2.gz JAIRYHMTISVKMN-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011370 1284653860 /nfs/dbraw/zinc/65/38/60/1284653860.db2.gz IZGVMRHVXFCVGT-RTBURBONSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001133116914 1284822028 /nfs/dbraw/zinc/82/20/28/1284822028.db2.gz CWCIGTDNYQBVLP-FXAWDEMLSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001133165684 1284922608 /nfs/dbraw/zinc/92/26/08/1284922608.db2.gz LBYRWSZVCZEQMX-LPHOPBHVSA-N 2 0 329.488 2.622 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133194475 1284972335 /nfs/dbraw/zinc/97/23/35/1284972335.db2.gz GJYCGWDQKJVBDF-RBUKOAKNSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001133196176 1284973476 /nfs/dbraw/zinc/97/34/76/1284973476.db2.gz TXZYGVWGZREOBS-MOPGFXCFSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213427 1285001515 /nfs/dbraw/zinc/00/15/15/1285001515.db2.gz MXUAHVHSMAPEBP-MJGOQNOKSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001133213426 1285001558 /nfs/dbraw/zinc/00/15/58/1285001558.db2.gz MXUAHVHSMAPEBP-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133246281 1285047198 /nfs/dbraw/zinc/04/71/98/1285047198.db2.gz TUKIIMNRMURLDQ-RTBURBONSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133246418 1285047917 /nfs/dbraw/zinc/04/79/17/1285047917.db2.gz WNAKSZPJYVNCIK-MOPGFXCFSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133249487 1285053200 /nfs/dbraw/zinc/05/32/00/1285053200.db2.gz GCPBWUYUSJAVEB-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133237241 1285062122 /nfs/dbraw/zinc/06/21/22/1285062122.db2.gz AANZVFHTGKHXSC-PMACEKPBSA-N 2 0 349.563 2.986 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433103 1285076396 /nfs/dbraw/zinc/07/63/96/1285076396.db2.gz QOFOPUQWDVXCOY-NLWGTHIKSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434022 1285077779 /nfs/dbraw/zinc/07/77/79/1285077779.db2.gz NQKONOWQXNLFJL-QKNQBKEWSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094450285 1285120570 /nfs/dbraw/zinc/12/05/70/1285120570.db2.gz JREGXZLWQISSQM-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+](CCC)C3)CCC[C@@H]12 ZINC001094496568 1285159523 /nfs/dbraw/zinc/15/95/23/1285159523.db2.gz BFXWAAMZRCTMEN-NLWGTHIKSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001133334001 1285209880 /nfs/dbraw/zinc/20/98/80/1285209880.db2.gz PPGDHEOKRCQYJF-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001170989326 1289018443 /nfs/dbraw/zinc/01/84/43/1289018443.db2.gz OSWAFHUWGMVVPR-QGZVFWFLSA-N 2 0 337.423 2.977 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158233 1285242788 /nfs/dbraw/zinc/24/27/88/1285242788.db2.gz IKIPXHOFGZVMSK-YDZRNGNQSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094528921 1285255321 /nfs/dbraw/zinc/25/53/21/1285255321.db2.gz BRUHEWHQJPWNBY-QWFCFKBJSA-N 2 0 333.520 2.796 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529201 1285257920 /nfs/dbraw/zinc/25/79/20/1285257920.db2.gz LIGWEPSWRQNISB-QKNQBKEWSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001094529389 1285258424 /nfs/dbraw/zinc/25/84/24/1285258424.db2.gz QRNUEERHSPTBEY-QKNQBKEWSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001133398381 1285315897 /nfs/dbraw/zinc/31/58/97/1285315897.db2.gz SUSUVAVSYURRLS-UHFFFAOYSA-N 2 0 349.906 2.929 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)[NH+](C)C ZINC001133399363 1285323386 /nfs/dbraw/zinc/32/33/86/1285323386.db2.gz KUHMADDCRQHSEK-GOSISDBHSA-N 2 0 349.906 2.622 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001133403832 1285355927 /nfs/dbraw/zinc/35/59/27/1285355927.db2.gz LNJLMJNAOPLWEW-INIZCTEOSA-N 2 0 349.906 2.929 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[NH+](CC)CC ZINC001133407491 1285366481 /nfs/dbraw/zinc/36/64/81/1285366481.db2.gz IBQFTUNDISBJFU-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001133407315 1285366848 /nfs/dbraw/zinc/36/68/48/1285366848.db2.gz CFURRNRBQWDWNZ-UHFFFAOYSA-N 2 0 347.890 2.540 20 30 EFEDRP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)CCC ZINC001133410361 1285369849 /nfs/dbraw/zinc/36/98/49/1285369849.db2.gz AZSLTTZKADBHQC-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001133410400 1285370477 /nfs/dbraw/zinc/37/04/77/1285370477.db2.gz CXRPQVMUPXOYDJ-UHFFFAOYSA-N 2 0 349.906 2.623 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904107 1285391330 /nfs/dbraw/zinc/39/13/30/1285391330.db2.gz MQXHLORBNZFBRD-DLBZAZTESA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903972 1285391901 /nfs/dbraw/zinc/39/19/01/1285391901.db2.gz KEQJERDBWDYJKS-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001171811819 1285826174 /nfs/dbraw/zinc/82/61/74/1285826174.db2.gz IDSWFNAIEPRPKW-CQSZACIVSA-N 2 0 334.851 2.965 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924291 1285924605 /nfs/dbraw/zinc/92/46/05/1285924605.db2.gz NJQZTQLWJSXXBG-SFHVURJKSA-N 2 0 343.515 2.692 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171924290 1285924895 /nfs/dbraw/zinc/92/48/95/1285924895.db2.gz NJQZTQLWJSXXBG-GOSISDBHSA-N 2 0 343.515 2.692 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114735 1286025426 /nfs/dbraw/zinc/02/54/26/1286025426.db2.gz SRIOMXCIUKVFND-BCDXTJNWSA-N 2 0 347.503 2.722 20 30 EFEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001172499979 1286173219 /nfs/dbraw/zinc/17/32/19/1286173219.db2.gz VWANJPZTAMZJCD-MISYRCLQSA-N 2 0 342.487 2.687 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1sccc1C[NH+](C)C)C2 ZINC001094934187 1286225764 /nfs/dbraw/zinc/22/57/64/1286225764.db2.gz YSYNQZJVTOFNBU-UAGQMJEPSA-N 2 0 347.528 2.969 20 30 EFEDRP C[Si](C)(C)C#C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001170720277 1286254596 /nfs/dbraw/zinc/25/45/96/1286254596.db2.gz OFRQJIPMTNREEF-WGSAOQKQSA-N 2 0 333.596 2.753 20 30 EFEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C[NH3+])C[C@H]1C#N ZINC001172981708 1286364964 /nfs/dbraw/zinc/36/49/64/1286364964.db2.gz NTVLKADNFQYBRJ-IRXDYDNUSA-N 2 0 344.459 2.527 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001095035768 1286439138 /nfs/dbraw/zinc/43/91/38/1286439138.db2.gz OHKLSDSXUHRPGA-IHPCNDPISA-N 2 0 345.531 2.654 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170742346 1286524339 /nfs/dbraw/zinc/52/43/39/1286524339.db2.gz LEIMEVYKKGRYSE-JKSUJKDBSA-N 2 0 329.916 2.876 20 30 EFEDRP Cn1cc(CN2CC[C@@H]3C[N@@H+](C4CCC(CC#N)CC4)C[C@H]3C2)cn1 ZINC001173335355 1286530409 /nfs/dbraw/zinc/53/04/09/1286530409.db2.gz IVZZPTAQMIBHIQ-CGIJZDBUSA-N 2 0 341.503 2.646 20 30 EFEDRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179400809 1289122614 /nfs/dbraw/zinc/12/26/14/1289122614.db2.gz XQKLQDYVJLEWQV-UHFFFAOYSA-N 2 0 343.515 2.646 20 30 EFEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783669 1287184665 /nfs/dbraw/zinc/18/46/65/1287184665.db2.gz ODFMNMTWXUZHSZ-IAGOWNOFSA-N 2 0 332.492 2.747 20 30 EFEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001134783712 1287185856 /nfs/dbraw/zinc/18/58/56/1287185856.db2.gz OPSVEZNXZPQHRU-DLBZAZTESA-N 2 0 332.492 2.747 20 30 EFEDRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176279665 1287920781 /nfs/dbraw/zinc/92/07/81/1287920781.db2.gz PDYLHDMPQNBSAM-LJQANCHMSA-N 2 0 343.515 2.645 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC(=C)C)CC1 ZINC001176737665 1288089243 /nfs/dbraw/zinc/08/92/43/1288089243.db2.gz MJXWAWVIWCJBMY-GOSISDBHSA-N 2 0 333.520 2.562 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176752930 1288119158 /nfs/dbraw/zinc/11/91/58/1288119158.db2.gz BFOJHGXUCUXSAZ-MOPGFXCFSA-N 2 0 335.536 2.785 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176752932 1288119472 /nfs/dbraw/zinc/11/94/72/1288119472.db2.gz BFOJHGXUCUXSAZ-RBUKOAKNSA-N 2 0 335.536 2.785 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176754828 1288120381 /nfs/dbraw/zinc/12/03/81/1288120381.db2.gz ZDFDWFZCZYINHT-RBUKOAKNSA-N 2 0 335.536 2.785 20 30 EFEDRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176754639 1288120914 /nfs/dbraw/zinc/12/09/14/1288120914.db2.gz XEARDHIBIVSAAD-LJQANCHMSA-N 2 0 343.515 2.643 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086767612 1288369294 /nfs/dbraw/zinc/36/92/94/1288369294.db2.gz SXJWCZCANBJDHB-PKOBYXMFSA-N 2 0 343.515 2.855 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001177317424 1288385701 /nfs/dbraw/zinc/38/57/01/1288385701.db2.gz WIBYGQYINDCZHK-FQEVSTJZSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001177328505 1288393278 /nfs/dbraw/zinc/39/32/78/1288393278.db2.gz LVYAIPAOHLMBSS-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001177340027 1288398840 /nfs/dbraw/zinc/39/88/40/1288398840.db2.gz XRONCNTVVMMGEH-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177342540 1288400045 /nfs/dbraw/zinc/40/00/45/1288400045.db2.gz OWSLJXSONIUCCB-HXUWFJFHSA-N 2 0 347.547 2.883 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001177348161 1288413174 /nfs/dbraw/zinc/41/31/74/1288413174.db2.gz AVAYUGUFZITVED-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CCC ZINC001177467190 1288431730 /nfs/dbraw/zinc/43/17/30/1288431730.db2.gz UZUMBVAEAZARTK-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135824781 1288436119 /nfs/dbraw/zinc/43/61/19/1288436119.db2.gz XNWQJCWJPYMQJE-HUUCEWRRSA-N 2 0 329.916 2.732 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001177433358 1288438448 /nfs/dbraw/zinc/43/84/48/1288438448.db2.gz DHTXOFZYMUIRQY-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001177437686 1288441271 /nfs/dbraw/zinc/44/12/71/1288441271.db2.gz XGPCZMQPRLASSR-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477625 1288464157 /nfs/dbraw/zinc/46/41/57/1288464157.db2.gz JREKKJWIOQGJLX-QGZVFWFLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902456 1288570309 /nfs/dbraw/zinc/57/03/09/1288570309.db2.gz SMCQFPPAEGSSCZ-IRXDYDNUSA-N 2 0 335.536 2.948 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000817411091 1288590576 /nfs/dbraw/zinc/59/05/76/1288590576.db2.gz MVELBOMKKMTFMS-UHFFFAOYSA-N 2 0 326.469 2.661 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cn1 ZINC001135915845 1288594686 /nfs/dbraw/zinc/59/46/86/1288594686.db2.gz CTXAKQLPHNMBAR-UONOGXRCSA-N 2 0 347.850 2.506 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)c1sccc1C[NH+](C)C ZINC001178617924 1288840260 /nfs/dbraw/zinc/84/02/60/1288840260.db2.gz PBTQDOWYKCGWTM-UHFFFAOYSA-N 2 0 335.517 2.713 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178722934 1288868108 /nfs/dbraw/zinc/86/81/08/1288868108.db2.gz WMTWNSIHLAOUOG-IBGZPJMESA-N 2 0 333.520 2.540 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001178693562 1288873541 /nfs/dbraw/zinc/87/35/41/1288873541.db2.gz WFGZLUSIEFOVAN-LJQANCHMSA-N 2 0 333.520 2.683 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178816184 1288946082 /nfs/dbraw/zinc/94/60/82/1288946082.db2.gz VWQKNGUXLCHBHD-CQSZACIVSA-N 2 0 348.329 2.501 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554174 1289188628 /nfs/dbraw/zinc/18/86/28/1289188628.db2.gz SQRCTSMRTUVKAQ-ICSRJNTNSA-N 2 0 343.515 2.706 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001165912932 1312703420 /nfs/dbraw/zinc/70/34/20/1312703420.db2.gz YTVUWHKLQKVFLX-UHFFFAOYSA-N 2 0 326.444 2.709 20 30 EFEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001180039685 1289392019 /nfs/dbraw/zinc/39/20/19/1289392019.db2.gz HCUNZPORQAYHMV-IBGZPJMESA-N 2 0 329.488 2.579 20 30 EFEDRP C=CCCC[NH2+]CCCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001180077067 1289408118 /nfs/dbraw/zinc/40/81/18/1289408118.db2.gz OCYWBLHXRRCBSK-UHFFFAOYSA-N 2 0 332.492 2.994 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC=C)[C@@H]2C)CC1 ZINC001180203943 1289442705 /nfs/dbraw/zinc/44/27/05/1289442705.db2.gz DFSGINYOTVSYPJ-ICSRJNTNSA-N 2 0 345.531 2.657 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001180204165 1289442746 /nfs/dbraw/zinc/44/27/46/1289442746.db2.gz JQDCOMCAQPVICL-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000719925773 1289932280 /nfs/dbraw/zinc/93/22/80/1289932280.db2.gz PWVDWGJCFDYRDX-MOPGFXCFSA-N 2 0 342.487 2.521 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC/C=C/CC)C1 ZINC001181763352 1289932800 /nfs/dbraw/zinc/93/28/00/1289932800.db2.gz GFWDVMVZIDDBSU-VWICVCDTSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001181951723 1290012373 /nfs/dbraw/zinc/01/23/73/1290012373.db2.gz GECJUTRRLAEXBU-YLJYHZDGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182963517 1290280777 /nfs/dbraw/zinc/28/07/77/1290280777.db2.gz CXFUWAISQJGRSS-SJORKVTESA-N 2 0 327.488 2.603 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517127 1290354034 /nfs/dbraw/zinc/35/40/34/1290354034.db2.gz QGOMUZXEMCXFTK-UWWQBHOKSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001183563653 1290363794 /nfs/dbraw/zinc/36/37/94/1290363794.db2.gz VSMVCJHENQEEHF-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001184497648 1290462410 /nfs/dbraw/zinc/46/24/10/1290462410.db2.gz MFZUNJVOZJNOLW-HOTGVXAUSA-N 2 0 347.528 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1C ZINC001184714360 1290498338 /nfs/dbraw/zinc/49/83/38/1290498338.db2.gz XYJZRZTWRYNSTM-DZGCQCFKSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001184821206 1290531197 /nfs/dbraw/zinc/53/11/97/1290531197.db2.gz JJJPTLWPXOGUJY-IAGOWNOFSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892116 1290539344 /nfs/dbraw/zinc/53/93/44/1290539344.db2.gz NCFZECPDRPXKCX-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168536 1290606956 /nfs/dbraw/zinc/60/69/56/1290606956.db2.gz HIHWAMXJFJFCTK-ZBFHGGJFSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261914 1290627738 /nfs/dbraw/zinc/62/77/38/1290627738.db2.gz YXIYRLYMJBUNMY-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001185410556 1290681268 /nfs/dbraw/zinc/68/12/68/1290681268.db2.gz DAYMATVSDDSDJB-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185676243 1290748121 /nfs/dbraw/zinc/74/81/21/1290748121.db2.gz QIBQGLMUSIILKN-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001185727766 1290753223 /nfs/dbraw/zinc/75/32/23/1290753223.db2.gz BZTQALCOWSTYPX-RDJZCZTQSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001185727761 1290753241 /nfs/dbraw/zinc/75/32/41/1290753241.db2.gz BZTQALCOWSTYPX-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185741108 1290753763 /nfs/dbraw/zinc/75/37/63/1290753763.db2.gz HMLBPCVERIAJCT-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001185741111 1290754182 /nfs/dbraw/zinc/75/41/82/1290754182.db2.gz HMLBPCVERIAJCT-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001185749735 1290762966 /nfs/dbraw/zinc/76/29/66/1290762966.db2.gz DYFIBBJBERLMBS-SJORKVTESA-N 2 0 329.488 2.622 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001232925131 1312810807 /nfs/dbraw/zinc/81/08/07/1312810807.db2.gz NHLPCPUSMJLCOH-UHFFFAOYSA-N 2 0 347.466 2.836 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001203169018 1291112152 /nfs/dbraw/zinc/11/21/52/1291112152.db2.gz NUNYMAJOLUABRA-QZTJIDSGSA-N 2 0 338.455 2.931 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188213586 1291343604 /nfs/dbraw/zinc/34/36/04/1291343604.db2.gz YJCSKMLBXSCMST-PKOBYXMFSA-N 2 0 335.536 2.974 20 30 EFEDRP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000957422053 1291532767 /nfs/dbraw/zinc/53/27/67/1291532767.db2.gz GVRXKESSLHPCCQ-UHFFFAOYSA-N 2 0 329.488 2.861 20 30 EFEDRP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001114728655 1291584841 /nfs/dbraw/zinc/58/48/41/1291584841.db2.gz HXQDKPQBGUJVGA-WCIQWLHISA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001189312565 1291668290 /nfs/dbraw/zinc/66/82/90/1291668290.db2.gz VQMMAHIMAZMKJA-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH+]1CCC2(C[C@H]2C(=O)N(C)CC[NH+](CC)CC)CC1 ZINC001277779792 1312874881 /nfs/dbraw/zinc/87/48/81/1312874881.db2.gz RHVKTVWATDRBCI-SFHVURJKSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC2(C(=O)OC)CC[NH2+]CC2)cc1 ZINC001166981723 1312875162 /nfs/dbraw/zinc/87/51/62/1312875162.db2.gz NEDVNBUQAVEERU-GOSISDBHSA-N 2 0 343.471 2.717 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000957550126 1291747388 /nfs/dbraw/zinc/74/73/88/1291747388.db2.gz KNYBCADEXGYJHT-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552210 1291751431 /nfs/dbraw/zinc/75/14/31/1291751431.db2.gz IZLJBASQTFOLBP-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)CC1 ZINC000957559136 1291764521 /nfs/dbraw/zinc/76/45/21/1291764521.db2.gz CVXULDXCMUEXDE-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC000957560384 1291766792 /nfs/dbraw/zinc/76/67/92/1291766792.db2.gz XTPSUGJEOZDZGH-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957561062 1291768260 /nfs/dbraw/zinc/76/82/60/1291768260.db2.gz FLOZUQHRLXLPQV-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561175 1291768704 /nfs/dbraw/zinc/76/87/04/1291768704.db2.gz IEQVHNDYWHQHIO-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000957563208 1291771996 /nfs/dbraw/zinc/77/19/96/1291771996.db2.gz BEYWTSXCIQNDTQ-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)CC1 ZINC000957574823 1291788268 /nfs/dbraw/zinc/78/82/68/1291788268.db2.gz LMQPJOLFKCEPEM-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC000957605867 1291860781 /nfs/dbraw/zinc/86/07/81/1291860781.db2.gz NFXQZFQZEVOENV-SFHVURJKSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001189786594 1291861781 /nfs/dbraw/zinc/86/17/81/1291861781.db2.gz FYMIGXJZFROGSG-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)CC1 ZINC000957620906 1291900638 /nfs/dbraw/zinc/90/06/38/1291900638.db2.gz ONJSSONJZCKBET-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049466108 1312890721 /nfs/dbraw/zinc/89/07/21/1312890721.db2.gz ZJIGYAJHNNDEJJ-OTWHNJEPSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000957644725 1291953005 /nfs/dbraw/zinc/95/30/05/1291953005.db2.gz FSVZYSOWMNISML-UHFFFAOYSA-N 2 0 339.911 2.539 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647504 1291959219 /nfs/dbraw/zinc/95/92/19/1291959219.db2.gz KMPSKLVYKGIJEJ-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647433 1291959907 /nfs/dbraw/zinc/95/99/07/1291959907.db2.gz HZIXVLHHVLHXMS-KDURUIRLSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)CC1 ZINC000957647736 1291959934 /nfs/dbraw/zinc/95/99/34/1291959934.db2.gz UINVNJIMKGIBMJ-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016642804 1312897021 /nfs/dbraw/zinc/89/70/21/1312897021.db2.gz JGCDZVZICHDQBW-INIZCTEOSA-N 2 0 347.528 2.970 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001016643215 1312897622 /nfs/dbraw/zinc/89/76/22/1312897622.db2.gz OBNMGCVFSMTUEN-INIZCTEOSA-N 2 0 347.528 2.970 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213068 1292069131 /nfs/dbraw/zinc/06/91/31/1292069131.db2.gz UUIVVDKEAFOVDY-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203310960 1312905064 /nfs/dbraw/zinc/90/50/64/1312905064.db2.gz KJJQDLJUBIHDQA-IAGOWNOFSA-N 2 0 345.487 2.938 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478504 1312906919 /nfs/dbraw/zinc/90/69/19/1312906919.db2.gz PBIIZTWSGNABFU-ZWKOTPCHSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663986 1312912343 /nfs/dbraw/zinc/91/23/43/1312912343.db2.gz WSCUJZWVWUEPHZ-RBUKOAKNSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417867 1312920370 /nfs/dbraw/zinc/92/03/70/1312920370.db2.gz DGEQJIXMJZEZMK-DLBZAZTESA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417868 1312920675 /nfs/dbraw/zinc/92/06/75/1312920675.db2.gz DGEQJIXMJZEZMK-IAGOWNOFSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082058 1292457034 /nfs/dbraw/zinc/45/70/34/1292457034.db2.gz TWFXXAKWLCOANW-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001203461705 1312929512 /nfs/dbraw/zinc/92/95/12/1312929512.db2.gz HMZMWCUIFDHPSU-QZTJIDSGSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001016701923 1312934746 /nfs/dbraw/zinc/93/47/46/1312934746.db2.gz GLYAUBMWEHIZDM-ZWKOTPCHSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001191515732 1292557676 /nfs/dbraw/zinc/55/76/76/1292557676.db2.gz VTIMOZNICSLMKY-LJQANCHMSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001049509454 1312942406 /nfs/dbraw/zinc/94/24/06/1312942406.db2.gz USRBHFZCERUZCY-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514523 1312949965 /nfs/dbraw/zinc/94/99/65/1312949965.db2.gz GRVAGJZQJMYKBS-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191967490 1292740461 /nfs/dbraw/zinc/74/04/61/1292740461.db2.gz ISZYYJDCJMNEDL-GBESFXJTSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001203540985 1312951020 /nfs/dbraw/zinc/95/10/20/1312951020.db2.gz ZGNYWTLWZPOQCM-MSOLQXFVSA-N 2 0 333.520 2.702 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114839721 1292817175 /nfs/dbraw/zinc/81/71/75/1292817175.db2.gz FKKQNAPXCJTRDZ-DZFIZOCASA-N 2 0 335.536 2.735 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001049519708 1312959077 /nfs/dbraw/zinc/95/90/77/1312959077.db2.gz AQIVFLGILBCQOJ-IPMKNSEASA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049525823 1312967102 /nfs/dbraw/zinc/96/71/02/1312967102.db2.gz RFXYAEWJIBWANI-GUDVDZBRSA-N 2 0 331.504 2.645 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203606754 1312969893 /nfs/dbraw/zinc/96/98/93/1312969893.db2.gz QOYLXNNCEAAROW-OALUTQOASA-N 2 0 347.547 2.929 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616320 1312971785 /nfs/dbraw/zinc/97/17/85/1312971785.db2.gz YLXYHSBLMBNMMS-MSOLQXFVSA-N 2 0 342.487 2.744 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788500 1312980213 /nfs/dbraw/zinc/98/02/13/1312980213.db2.gz ZGVGROGULYQXJH-RTBURBONSA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544608 1312991668 /nfs/dbraw/zinc/99/16/68/1312991668.db2.gz DRJVDHYRPDQVGA-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546219 1312993621 /nfs/dbraw/zinc/99/36/21/1312993621.db2.gz PNNXJGZRKIYTNV-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203729449 1313000305 /nfs/dbraw/zinc/00/03/05/1313000305.db2.gz GQUQAINJELLBCH-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C12CCC2 ZINC001203743569 1313003907 /nfs/dbraw/zinc/00/39/07/1313003907.db2.gz SUORFUUAIZFDNT-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC001194226871 1293561116 /nfs/dbraw/zinc/56/11/16/1293561116.db2.gz HFPFCOMCKQMAFV-QGZVFWFLSA-N 2 0 347.528 2.605 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773328 1313011393 /nfs/dbraw/zinc/01/13/93/1313011393.db2.gz VPZXYKJDLIWZHP-MOPGFXCFSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568775 1313030924 /nfs/dbraw/zinc/03/09/24/1313030924.db2.gz WKFKKJMFFYSJNM-IPMKNSEASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569544 1313031573 /nfs/dbraw/zinc/03/15/73/1313031573.db2.gz ZDSLRQVFZXDQJF-QZTJIDSGSA-N 2 0 331.504 2.646 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016904753 1313035807 /nfs/dbraw/zinc/03/58/07/1313035807.db2.gz CVYSBPWWILBLIK-GOSISDBHSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC/C=C\CCC)CC2)CC1 ZINC001203869397 1313037558 /nfs/dbraw/zinc/03/75/58/1313037558.db2.gz FQVBNJVQAIITNC-SREVYHEPSA-N 2 0 345.531 2.659 20 30 EFEDRP N#Cc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203901316 1313043991 /nfs/dbraw/zinc/04/39/91/1313043991.db2.gz LKATVKWNYVPFIF-RTWAWAEBSA-N 2 0 332.451 2.907 20 30 EFEDRP C=C(C)CC[NH2+]C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001203904016 1313044814 /nfs/dbraw/zinc/04/48/14/1313044814.db2.gz QFCSCFFOPNFKFY-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195899771 1294062878 /nfs/dbraw/zinc/06/28/78/1294062878.db2.gz DVALOEGOJWLKEA-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC(C)(C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000884344029 1294106916 /nfs/dbraw/zinc/10/69/16/1294106916.db2.gz USEDZWAUFZQTQB-UHFFFAOYSA-N 2 0 329.488 2.698 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196026115 1294110808 /nfs/dbraw/zinc/11/08/08/1294110808.db2.gz ZKTXPBOWCSXNRZ-IAGOWNOFSA-N 2 0 327.488 2.555 20 30 EFEDRP C=C(Cl)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589694 1313058528 /nfs/dbraw/zinc/05/85/28/1313058528.db2.gz AWCPEWUGSPXKSJ-IRXDYDNUSA-N 2 0 344.846 2.766 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196642068 1294302157 /nfs/dbraw/zinc/30/21/57/1294302157.db2.gz YUVDBNCWXPJETB-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596458 1313066638 /nfs/dbraw/zinc/06/66/38/1313066638.db2.gz WQPWMZLPUKXPOZ-RTBURBONSA-N 2 0 338.455 2.979 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049596452 1313066848 /nfs/dbraw/zinc/06/68/48/1313066848.db2.gz WQPWMZLPUKXPOZ-MOPGFXCFSA-N 2 0 338.455 2.979 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001016982310 1313070689 /nfs/dbraw/zinc/07/06/89/1313070689.db2.gz FZHSECBHXYPTJR-GOSISDBHSA-N 2 0 327.472 2.519 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000303722490 1294569978 /nfs/dbraw/zinc/56/99/78/1294569978.db2.gz YHOJAMIHSGFBRY-AWEZNQCLSA-N 2 0 328.382 2.594 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303771725 1294577907 /nfs/dbraw/zinc/57/79/07/1294577907.db2.gz CWGMXMQGFQEXPH-HXUWFJFHSA-N 2 0 336.483 2.971 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSc1ccc(F)cc1 ZINC000303774837 1294578258 /nfs/dbraw/zinc/57/82/58/1294578258.db2.gz GEYINKOFWJWNEP-OAHLLOKOSA-N 2 0 338.496 2.697 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1C(F)(F)F ZINC000303772138 1294578707 /nfs/dbraw/zinc/57/87/07/1294578707.db2.gz DGTGPOFELFTMBZ-ZDUSSCGKSA-N 2 0 346.372 2.733 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000303775806 1294580555 /nfs/dbraw/zinc/58/05/55/1294580555.db2.gz HDOWHSPFYQFOPF-SJLPKXTDSA-N 2 0 332.492 2.543 20 30 EFEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C[C@@H](C)O1 ZINC000303871398 1294593215 /nfs/dbraw/zinc/59/32/15/1294593215.db2.gz BQDMUWAVDVNITB-HZPDHXFCSA-N 2 0 344.503 2.500 20 30 EFEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000303872660 1294593690 /nfs/dbraw/zinc/59/36/90/1294593690.db2.gz CEARARPECPOHSD-MRXNPFEDSA-N 2 0 331.508 2.563 20 30 EFEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000303879979 1294594282 /nfs/dbraw/zinc/59/42/82/1294594282.db2.gz GVIQWDZTCIFENW-IAGOWNOFSA-N 2 0 344.503 2.596 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000303881123 1294596110 /nfs/dbraw/zinc/59/61/10/1294596110.db2.gz KQSIBAOXMKCHDD-SJORKVTESA-N 2 0 345.535 2.810 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000303881121 1294596889 /nfs/dbraw/zinc/59/68/89/1294596889.db2.gz KQSIBAOXMKCHDD-IRXDYDNUSA-N 2 0 345.535 2.810 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303890788 1294597851 /nfs/dbraw/zinc/59/78/51/1294597851.db2.gz MQCHBNWERIDURH-IXDOHACOSA-N 2 0 346.519 2.604 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303890787 1294597930 /nfs/dbraw/zinc/59/79/30/1294597930.db2.gz MQCHBNWERIDURH-BBWFWOEESA-N 2 0 346.519 2.604 20 30 EFEDRP CCCCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000303882402 1294598622 /nfs/dbraw/zinc/59/86/22/1294598622.db2.gz IAJQPQNALXCRPW-KRWDZBQOSA-N 2 0 332.492 2.754 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303887388 1294598647 /nfs/dbraw/zinc/59/86/47/1294598647.db2.gz KVEZBKQDCUTKGE-UHFFFAOYSA-N 2 0 345.535 2.539 20 30 EFEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000303895730 1294599787 /nfs/dbraw/zinc/59/97/87/1294599787.db2.gz PNRUQONYDWZHBW-UHFFFAOYSA-N 2 0 345.535 2.602 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303895357 1294599839 /nfs/dbraw/zinc/59/98/39/1294599839.db2.gz PJPUZWRJQDIRMG-GASCZTMLSA-N 2 0 348.491 2.798 20 30 EFEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCSCC2)c2ccccc2)CC1 ZINC000303899897 1294601656 /nfs/dbraw/zinc/60/16/56/1294601656.db2.gz WIWFDHICLWDMOI-GOSISDBHSA-N 2 0 346.544 2.823 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615350 1313089705 /nfs/dbraw/zinc/08/97/05/1313089705.db2.gz JEFBECOAAQJPAU-QRVBRYPASA-N 2 0 331.504 2.502 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313511 1294835861 /nfs/dbraw/zinc/83/58/61/1294835861.db2.gz SALMEOZXTXUADM-IBGZPJMESA-N 2 0 329.488 2.836 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC/C=C/CCC)CC2)CC1 ZINC001198236551 1294949062 /nfs/dbraw/zinc/94/90/62/1294949062.db2.gz OGHXBNVEUHPTRL-VOTSOKGWSA-N 2 0 345.531 2.612 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049640241 1313122290 /nfs/dbraw/zinc/12/22/90/1313122290.db2.gz UMRUXALXXLIOPL-ROUUACIJSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198767223 1295242121 /nfs/dbraw/zinc/24/21/21/1295242121.db2.gz MXROTOYZWWTZOH-MJGOQNOKSA-N 2 0 347.503 2.604 20 30 EFEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198894936 1295296669 /nfs/dbraw/zinc/29/66/69/1295296669.db2.gz MHVBCLJJNJSWLV-QZTJIDSGSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198894937 1295297352 /nfs/dbraw/zinc/29/73/52/1295297352.db2.gz MHVBCLJJNJSWLV-ROUUACIJSA-N 2 0 347.503 2.749 20 30 EFEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198903222 1295306473 /nfs/dbraw/zinc/30/64/73/1295306473.db2.gz XMCPRTBDMDYWQO-WMZOPIPTSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885629 1295318395 /nfs/dbraw/zinc/31/83/95/1295318395.db2.gz MXROTOYZWWTZOH-IEBWSBKVSA-N 2 0 347.503 2.604 20 30 EFEDRP C=CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1OC ZINC001198993348 1295389726 /nfs/dbraw/zinc/38/97/26/1295389726.db2.gz OCURTZPOWAYPBF-SFHVURJKSA-N 2 0 345.487 2.504 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049664673 1313156551 /nfs/dbraw/zinc/15/65/51/1313156551.db2.gz RDYAHSGYHRFECJ-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049664676 1313156733 /nfs/dbraw/zinc/15/67/33/1313156733.db2.gz RDYAHSGYHRFECJ-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304740510 1295746681 /nfs/dbraw/zinc/74/66/81/1295746681.db2.gz BRAWGNRIACZOJK-HXUWFJFHSA-N 2 0 336.483 2.798 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000304751870 1295748068 /nfs/dbraw/zinc/74/80/68/1295748068.db2.gz JRIPJIIXLMDISY-HOTGVXAUSA-N 2 0 332.492 2.589 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000304751868 1295749134 /nfs/dbraw/zinc/74/91/34/1295749134.db2.gz JRIPJIIXLMDISY-CVEARBPZSA-N 2 0 332.492 2.589 20 30 EFEDRP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)Oc1cccc(C)c1 ZINC000304759200 1295749849 /nfs/dbraw/zinc/74/98/49/1295749849.db2.gz QXYRMOLYPOXVEY-DLBZAZTESA-N 2 0 332.492 2.541 20 30 EFEDRP C=CC[NH2+]CCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205026753 1313223150 /nfs/dbraw/zinc/22/31/50/1313223150.db2.gz XWZQDNVOCFTFEN-UHFFFAOYSA-N 2 0 327.394 2.599 20 30 EFEDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)c(F)c3)(C1)CCC2 ZINC001275327077 1296258804 /nfs/dbraw/zinc/25/88/04/1296258804.db2.gz HYELWFKRLKRGES-VQTJNVASSA-N 2 0 344.478 2.784 20 30 EFEDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001275588327 1296316044 /nfs/dbraw/zinc/31/60/44/1296316044.db2.gz AGZGCVUIFGXFRC-LJQANCHMSA-N 2 0 346.544 2.859 20 30 EFEDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205219394 1313253318 /nfs/dbraw/zinc/25/33/18/1313253318.db2.gz BWUOQGBWLNIGIN-QFIPXVFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=CCCCCCC[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205587 1313263117 /nfs/dbraw/zinc/26/31/17/1313263117.db2.gz NYEXVNHFWQNDKZ-UHFFFAOYSA-N 2 0 334.508 2.597 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283522 1313264518 /nfs/dbraw/zinc/26/45/18/1313264518.db2.gz DNPHDKFSPGFSBP-OALUTQOASA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205306852 1313267520 /nfs/dbraw/zinc/26/75/20/1313267520.db2.gz ATKZVDFRLDXXCB-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001205415968 1313284867 /nfs/dbraw/zinc/28/48/67/1313284867.db2.gz RWSLBPJJSCJDCN-WMZOPIPTSA-N 2 0 341.515 2.849 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000960280047 1296695628 /nfs/dbraw/zinc/69/56/28/1296695628.db2.gz GOGGEWIOHHYENU-RTBURBONSA-N 2 0 339.483 2.563 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452363 1313291774 /nfs/dbraw/zinc/29/17/74/1313291774.db2.gz BTCKJAPJDCKIKG-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001205461312 1313293484 /nfs/dbraw/zinc/29/34/84/1313293484.db2.gz HBXAHEGPSHTSJS-LJQANCHMSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001205518785 1313303456 /nfs/dbraw/zinc/30/34/56/1313303456.db2.gz KQLOIKQVDRHFRY-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001211233375 1314461059 /nfs/dbraw/zinc/46/10/59/1314461059.db2.gz CVCOBQDNWCNZRZ-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590938 1313319343 /nfs/dbraw/zinc/31/93/43/1313319343.db2.gz YMRQRYDRDBLEQU-UHFFFAOYSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668633 1313334589 /nfs/dbraw/zinc/33/45/89/1313334589.db2.gz JHGLWYCPESHLQN-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686100 1313337313 /nfs/dbraw/zinc/33/73/13/1313337313.db2.gz SQTRLLZJUHKYTR-PKOBYXMFSA-N 2 0 347.478 2.626 20 30 EFEDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001205687905 1313338951 /nfs/dbraw/zinc/33/89/51/1313338951.db2.gz BSKBCDMZHJDVHK-QFIPXVFZSA-N 2 0 334.463 2.762 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049818800 1313339350 /nfs/dbraw/zinc/33/93/50/1313339350.db2.gz AMKGNGUTHGDESF-RTBURBONSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001205696001 1313340197 /nfs/dbraw/zinc/34/01/97/1313340197.db2.gz UQZONJPSAYGNRR-UHFFFAOYSA-N 2 0 332.835 2.529 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001201793775 1297082071 /nfs/dbraw/zinc/08/20/71/1297082071.db2.gz LNHZCTNSLCIJRH-VQIMIIECSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001201801302 1297090163 /nfs/dbraw/zinc/09/01/63/1297090163.db2.gz ISFPVJLHYAMWLB-UHFFFAOYSA-N 2 0 343.515 2.951 20 30 EFEDRP C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136934 1297237270 /nfs/dbraw/zinc/23/72/70/1297237270.db2.gz PKXNPLXSPRMXLS-RBUKOAKNSA-N 2 0 332.536 2.808 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837257 1313368866 /nfs/dbraw/zinc/36/88/66/1313368866.db2.gz AMGYVRYMKXOCMW-WOJBJXKFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837251 1313368981 /nfs/dbraw/zinc/36/89/81/1313368981.db2.gz AMGYVRYMKXOCMW-PMACEKPBSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722540 1313383333 /nfs/dbraw/zinc/38/33/33/1313383333.db2.gz LJTTXLGXRFTTQC-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206005927 1313389843 /nfs/dbraw/zinc/38/98/43/1313389843.db2.gz FIPLMRAKVPCNBI-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCCCC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206126136 1313408447 /nfs/dbraw/zinc/40/84/47/1313408447.db2.gz OMCNCMBIVCEHAP-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001017555651 1313411932 /nfs/dbraw/zinc/41/19/32/1313411932.db2.gz RZSRTXIDPHHMDC-RLLQIKCJSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001206273897 1313429181 /nfs/dbraw/zinc/42/91/81/1313429181.db2.gz CTDMPEOLLMIJRR-LJQANCHMSA-N 2 0 339.499 2.603 20 30 EFEDRP CC1(C)[NH2+][C@@H](CCN2CCC[C@H](Oc3cccc(C#N)c3)C2)CO1 ZINC001235967749 1313424412 /nfs/dbraw/zinc/42/44/12/1313424412.db2.gz AEGSPXPRNSATIH-WMZOPIPTSA-N 2 0 329.444 2.516 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659698 1313460081 /nfs/dbraw/zinc/46/00/81/1313460081.db2.gz ZLTVHUXOQXNFNM-INDMIFKZSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659697 1313460357 /nfs/dbraw/zinc/46/03/57/1313460357.db2.gz ZLTVHUXOQXNFNM-AKHDSKFASA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001206548490 1313474235 /nfs/dbraw/zinc/47/42/35/1313474235.db2.gz PXYXBUBGURWEMC-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001017689944 1313476137 /nfs/dbraw/zinc/47/61/37/1313476137.db2.gz UOKOPPSXNVPPBG-HDICACEKSA-N 2 0 338.455 2.898 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914905 1313477789 /nfs/dbraw/zinc/47/77/89/1313477789.db2.gz SCIDXUPNNZZGEL-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049915167 1313478482 /nfs/dbraw/zinc/47/84/82/1313478482.db2.gz TXOWJUUPLXXXRT-ZCNNSNEGSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001236434250 1313480851 /nfs/dbraw/zinc/48/08/51/1313480851.db2.gz OLUITUJZGQGNCU-UHFFFAOYSA-N 2 0 348.579 2.590 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199453 1298302832 /nfs/dbraw/zinc/30/28/32/1298302832.db2.gz KJTIRDQKMQSPHZ-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCN(CC[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236552386 1313491251 /nfs/dbraw/zinc/49/12/51/1313491251.db2.gz VMTJVQANYNDQEA-QAQDUYKDSA-N 2 0 325.497 2.859 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000961214011 1298340133 /nfs/dbraw/zinc/34/01/33/1298340133.db2.gz RKORFEOHEYLJJQ-SJORKVTESA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222657 1298355229 /nfs/dbraw/zinc/35/52/29/1298355229.db2.gz SHNZJZYIHHHARF-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961222660 1298356917 /nfs/dbraw/zinc/35/69/17/1298356917.db2.gz SHNZJZYIHHHARF-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000961234796 1298383067 /nfs/dbraw/zinc/38/30/67/1298383067.db2.gz XOYUEUVMZXMZNG-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242732 1298403322 /nfs/dbraw/zinc/40/33/22/1298403322.db2.gz VQZOAYKOVPKVPQ-SJORKVTESA-N 2 0 345.487 2.701 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259597 1298431362 /nfs/dbraw/zinc/43/13/62/1298431362.db2.gz ISFUWHYTDIBVRU-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268212 1298456529 /nfs/dbraw/zinc/45/65/29/1298456529.db2.gz FTJCWXQOQSLULY-RBUKOAKNSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289382 1298499837 /nfs/dbraw/zinc/49/98/37/1298499837.db2.gz YRFUFMZEHJYDGF-MOPGFXCFSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961289384 1298500201 /nfs/dbraw/zinc/50/02/01/1298500201.db2.gz YRFUFMZEHJYDGF-OALUTQOASA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605146 1313509741 /nfs/dbraw/zinc/50/97/41/1313509741.db2.gz CMYHVEXXNHOXQI-NEWSRXKRSA-N 2 0 327.472 2.659 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292979 1298510131 /nfs/dbraw/zinc/51/01/31/1298510131.db2.gz LLJMWWGZDLAFFF-OALUTQOASA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000961349470 1298594163 /nfs/dbraw/zinc/59/41/63/1298594163.db2.gz SQCFHAFQFNFIMZ-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001206865423 1313528413 /nfs/dbraw/zinc/52/84/13/1313528413.db2.gz OSEBTGXIHMVING-NRFANRHFSA-N 2 0 343.515 2.868 20 30 EFEDRP C#CCC[NH2+]CC1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001206869243 1313530386 /nfs/dbraw/zinc/53/03/86/1313530386.db2.gz ZEHSRLDOPBESMK-UHFFFAOYSA-N 2 0 335.536 2.740 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961402982 1298695699 /nfs/dbraw/zinc/69/56/99/1298695699.db2.gz STGQXICLOKJEDI-RTBURBONSA-N 2 0 335.536 2.709 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000961410062 1298705820 /nfs/dbraw/zinc/70/58/20/1298705820.db2.gz FDFKALPDNAFSLR-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000961430975 1298735943 /nfs/dbraw/zinc/73/59/43/1298735943.db2.gz HANNXBFKOKFSQO-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961431282 1298739579 /nfs/dbraw/zinc/73/95/79/1298739579.db2.gz JQNXXCHGKXKEEM-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961442459 1298754004 /nfs/dbraw/zinc/75/40/04/1298754004.db2.gz SWAGDEVFBUZFDJ-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961442503 1298755046 /nfs/dbraw/zinc/75/50/46/1298755046.db2.gz TWQQHWVZWIZCSA-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961444064 1298756135 /nfs/dbraw/zinc/75/61/35/1298756135.db2.gz ZACFYQNJRSYBFX-FQEVSTJZSA-N 2 0 347.547 2.999 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C#N)CC3)c(F)c2)CC1 ZINC001236938163 1313557138 /nfs/dbraw/zinc/55/71/38/1313557138.db2.gz KNKQUFWWYYQXRW-MRXNPFEDSA-N 2 0 330.451 2.703 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961563365 1298885279 /nfs/dbraw/zinc/88/52/79/1298885279.db2.gz CFJFGSPZOXQCBH-ZGXWSNOMSA-N 2 0 345.531 2.796 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1N1CCCCC1 ZINC000305810532 1299036988 /nfs/dbraw/zinc/03/69/88/1299036988.db2.gz LXYHFNVFGZJXRY-GOSISDBHSA-N 2 0 343.519 2.566 20 30 EFEDRP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101777 1299547497 /nfs/dbraw/zinc/54/74/97/1299547497.db2.gz SQWLHDSZOOIDGP-DYESRHJHSA-N 2 0 341.499 2.547 20 30 EFEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC2CC2)CC3)cc1C#N ZINC001276513089 1313630111 /nfs/dbraw/zinc/63/01/11/1313630111.db2.gz HTLNCNWDGLUILH-UHFFFAOYSA-N 2 0 326.488 2.985 20 30 EFEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CCC4CC4)C[C@H]3CC2)cc1C#N ZINC001276513112 1313630608 /nfs/dbraw/zinc/63/06/08/1313630608.db2.gz IXHPJQVSJJTVFM-KDURUIRLSA-N 2 0 326.488 2.841 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315244 1300579699 /nfs/dbraw/zinc/57/96/99/1300579699.db2.gz SBYVUVJSLRISCY-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327498 1300611059 /nfs/dbraw/zinc/61/10/59/1300611059.db2.gz CRBSDPPOWRAHKB-HKUYNNGSSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328043 1300611450 /nfs/dbraw/zinc/61/14/50/1300611450.db2.gz KZLDCJUZMBKDAU-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329494 1300616398 /nfs/dbraw/zinc/61/63/98/1300616398.db2.gz ZMUARLDFDQSAOS-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207536681 1313710276 /nfs/dbraw/zinc/71/02/76/1313710276.db2.gz NIRAUYPHVPGKKG-UHFFFAOYSA-N 2 0 327.516 2.829 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963413253 1300795779 /nfs/dbraw/zinc/79/57/79/1300795779.db2.gz CXVOHAUYKXUQLD-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429138 1300835893 /nfs/dbraw/zinc/83/58/93/1300835893.db2.gz OOINNFYIRYFHQA-PMACEKPBSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000963519838 1300986412 /nfs/dbraw/zinc/98/64/12/1300986412.db2.gz NGUUPRRAODNXCA-UHFFFAOYSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+]C1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000963729071 1301259504 /nfs/dbraw/zinc/25/95/04/1301259504.db2.gz VCDIPSNAQHOVFF-UHFFFAOYSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018306914 1313803845 /nfs/dbraw/zinc/80/38/45/1313803845.db2.gz URGMXIYFMHVPDR-HDICACEKSA-N 2 0 327.472 2.613 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018309975 1313805336 /nfs/dbraw/zinc/80/53/36/1313805336.db2.gz CLMLEHFNEKDCJH-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001018333387 1313817519 /nfs/dbraw/zinc/81/75/19/1313817519.db2.gz FLIJTLFNYLFYGW-CALCHBBNSA-N 2 0 345.487 2.986 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063520 1313838480 /nfs/dbraw/zinc/83/84/80/1313838480.db2.gz PIDAWMSUAPPTRZ-MOPGFXCFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)C1 ZINC001208107016 1313848166 /nfs/dbraw/zinc/84/81/66/1313848166.db2.gz IUGYSTVSHYLFAM-FQEVSTJZSA-N 2 0 349.519 2.829 20 30 EFEDRP C[NH+]1CCC(C)(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001208109029 1313849128 /nfs/dbraw/zinc/84/91/28/1313849128.db2.gz KAGHQWTXRADSLJ-UHFFFAOYSA-N 2 0 330.451 2.551 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192326 1313866245 /nfs/dbraw/zinc/86/62/45/1313866245.db2.gz ULYKYDMABHFRLE-AZUAARDMSA-N 2 0 336.520 2.935 20 30 EFEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192328 1313866288 /nfs/dbraw/zinc/86/62/88/1313866288.db2.gz ULYKYDMABHFRLE-QUCCMNQESA-N 2 0 336.520 2.935 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208261892 1313884097 /nfs/dbraw/zinc/88/40/97/1313884097.db2.gz UKSAWJHPFTVHPI-MSOLQXFVSA-N 2 0 341.515 2.993 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000965424073 1303179733 /nfs/dbraw/zinc/17/97/33/1303179733.db2.gz GTKSSEOBBIESEE-BMTWLGCMSA-N 2 0 331.504 2.596 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001208334075 1313902389 /nfs/dbraw/zinc/90/23/89/1313902389.db2.gz FCTKKRYQHLLCLY-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097218967 1313914784 /nfs/dbraw/zinc/91/47/84/1313914784.db2.gz NUNSUKANIWESRA-YRXWBPOGSA-N 2 0 331.504 2.691 20 30 EFEDRP CCCCCCCCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239364210 1313929589 /nfs/dbraw/zinc/92/95/89/1313929589.db2.gz YFMDEWXINFVJSD-INIZCTEOSA-N 2 0 340.581 2.685 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001208463171 1313935715 /nfs/dbraw/zinc/93/57/15/1313935715.db2.gz LPAAMGNXAVCNDJ-ZWKOTPCHSA-N 2 0 344.503 2.843 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515044 1313950179 /nfs/dbraw/zinc/95/01/79/1313950179.db2.gz CDFMWPPKONTCDI-KZNAEPCWSA-N 2 0 325.541 2.980 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1CC ZINC001037887453 1304254542 /nfs/dbraw/zinc/25/45/42/1304254542.db2.gz FAFMKPZSOMTEMF-WMLDXEAASA-N 2 0 346.862 2.917 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1CC ZINC001037887451 1304255100 /nfs/dbraw/zinc/25/51/00/1304255100.db2.gz FAFMKPZSOMTEMF-PBHICJAKSA-N 2 0 346.862 2.917 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967093066 1304657496 /nfs/dbraw/zinc/65/74/96/1304657496.db2.gz YGZOEAXSNJGKAF-KBXCAEBGSA-N 2 0 326.444 2.659 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208716046 1314001083 /nfs/dbraw/zinc/00/10/83/1314001083.db2.gz BOJOPTATZOCOHY-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718792 1314001582 /nfs/dbraw/zinc/00/15/82/1314001582.db2.gz REPLQMJPKZXUMZ-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748818 1314007558 /nfs/dbraw/zinc/00/75/58/1314007558.db2.gz MVPPXMSPZJJXJO-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC ZINC001037923969 1304763566 /nfs/dbraw/zinc/76/35/66/1304763566.db2.gz HFRUSSHVBNEUHK-UYAOXDASSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208748817 1314007801 /nfs/dbraw/zinc/00/78/01/1314007801.db2.gz MVPPXMSPZJJXJO-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208747868 1314007919 /nfs/dbraw/zinc/00/79/19/1314007919.db2.gz DUKWEPAKFVXTSG-OAHLLOKOSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001037928671 1304832129 /nfs/dbraw/zinc/83/21/29/1304832129.db2.gz DTSHGYTWIXTUGI-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423705 1304975127 /nfs/dbraw/zinc/97/51/27/1304975127.db2.gz IOJGVIGLURGRBD-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425221 1304978669 /nfs/dbraw/zinc/97/86/69/1304978669.db2.gz YOPMAZXWBFWMCE-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C[NH+](C)Cc1c[nH]c2nccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c12 ZINC001240356567 1314024670 /nfs/dbraw/zinc/02/46/70/1314024670.db2.gz UVLZIAWMLOBKMH-UHFFFAOYSA-N 2 0 331.423 2.850 20 30 EFEDRP N#Cc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240361040 1314025217 /nfs/dbraw/zinc/02/52/17/1314025217.db2.gz RGFOSUAXTGEOCA-UHFFFAOYSA-N 3 0 346.478 2.835 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001037949289 1305202831 /nfs/dbraw/zinc/20/28/31/1305202831.db2.gz LZBZAXHSVAGPTJ-IAGOWNOFSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001037955460 1305304720 /nfs/dbraw/zinc/30/47/20/1305304720.db2.gz BOHYOMZCKWLXQR-PKOBYXMFSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC ZINC001037960281 1305349154 /nfs/dbraw/zinc/34/91/54/1305349154.db2.gz OWSVHSGBQIWFIZ-WBVHZDCISA-N 2 0 330.476 2.554 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001037977902 1305523369 /nfs/dbraw/zinc/52/33/69/1305523369.db2.gz VLPYLZFXPLSAEF-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018851227 1314068469 /nfs/dbraw/zinc/06/84/69/1314068469.db2.gz OIVRGSINFHNGMR-HOTGVXAUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCN(CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C)C(=O)OCC ZINC001209020288 1314071984 /nfs/dbraw/zinc/07/19/84/1314071984.db2.gz FXYCUHWZCAICCC-ROUUACIJSA-N 2 0 337.508 2.970 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]CCN1CCC([NH3+])CC1 ZINC001246010091 1314565896 /nfs/dbraw/zinc/56/58/96/1314565896.db2.gz WRACDQYPDRUYSA-LJQANCHMSA-N 2 0 327.557 2.891 20 30 EFEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052858193 1314426081 /nfs/dbraw/zinc/42/60/81/1314426081.db2.gz AAKQLBFTFSBWMH-OALUTQOASA-N 2 0 333.520 2.635 20 30 EFEDRP CCCCCCC[C@@H](CC)[NH2+]CCOCCOCCOCC[NH3+] ZINC001246282644 1314605915 /nfs/dbraw/zinc/60/59/15/1314605915.db2.gz BYVQYBFUBVNTOL-GOSISDBHSA-N 2 0 332.529 2.724 20 30 EFEDRP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209203602 1314115380 /nfs/dbraw/zinc/11/53/80/1314115380.db2.gz QDZLNTWPZRRPOZ-WOJBJXKFSA-N 2 0 329.488 2.961 20 30 EFEDRP C=CCCCC[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001209208774 1314116480 /nfs/dbraw/zinc/11/64/80/1314116480.db2.gz ZCJIPDJAPPZHNB-UHFFFAOYSA-N 2 0 348.579 2.519 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001209277739 1314130028 /nfs/dbraw/zinc/13/00/28/1314130028.db2.gz KKXXFKRKRKKEHP-RDJZCZTQSA-N 2 0 333.476 2.890 20 30 EFEDRP C#CCCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001209263058 1314128353 /nfs/dbraw/zinc/12/83/53/1314128353.db2.gz GNAMJDSJOQURNL-HXUWFJFHSA-N 2 0 348.531 2.629 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672414 1306555303 /nfs/dbraw/zinc/55/53/03/1306555303.db2.gz CGRYDEKLAWNGQR-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968673211 1306556471 /nfs/dbraw/zinc/55/64/71/1306556471.db2.gz JBIRCOYYJODGHV-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)CC[C@@H]2C)CC1 ZINC000968681889 1306564208 /nfs/dbraw/zinc/56/42/08/1306564208.db2.gz MIDFBNBDVXUIJP-FXAWDEMLSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968690894 1306571308 /nfs/dbraw/zinc/57/13/08/1306571308.db2.gz BKGDHHLZWVREMA-DOTOQJQBSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000968882308 1306753575 /nfs/dbraw/zinc/75/35/75/1306753575.db2.gz LJBGKCRBCPIQAJ-DLBZAZTESA-N 2 0 341.927 2.974 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968887355 1306760651 /nfs/dbraw/zinc/76/06/51/1306760651.db2.gz BRGSMCSTHOWAFG-UXHICEINSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888641 1306761744 /nfs/dbraw/zinc/76/17/44/1306761744.db2.gz XMNVSSOUKXRMDC-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968888638 1306762555 /nfs/dbraw/zinc/76/25/55/1306762555.db2.gz XMNVSSOUKXRMDC-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001044745273 1306768242 /nfs/dbraw/zinc/76/82/42/1306768242.db2.gz STHOHMBPJWLNRE-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913209 1306787735 /nfs/dbraw/zinc/78/77/35/1306787735.db2.gz CUYFCRGGTZUJRJ-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926050 1306804306 /nfs/dbraw/zinc/80/43/06/1306804306.db2.gz SYDJQMLWKKUQSW-QGZVFWFLSA-N 2 0 338.455 2.640 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025296 1306904554 /nfs/dbraw/zinc/90/45/54/1306904554.db2.gz MZTYFJNZLUIWOU-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058814 1306931530 /nfs/dbraw/zinc/93/15/30/1306931530.db2.gz AHIXHADOOGRINL-RBUKOAKNSA-N 2 0 333.520 2.633 20 30 EFEDRP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969059389 1306933408 /nfs/dbraw/zinc/93/34/08/1306933408.db2.gz LQOWQXMCEXHXAR-RTBURBONSA-N 2 0 333.520 2.633 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073091 1306947437 /nfs/dbraw/zinc/94/74/37/1306947437.db2.gz WNWSXKQATGLNLG-HXUWFJFHSA-N 2 0 341.499 2.746 20 30 EFEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441437 1307340768 /nfs/dbraw/zinc/34/07/68/1307340768.db2.gz FXQNNGMMZCPKPO-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045492626 1307379055 /nfs/dbraw/zinc/37/90/55/1307379055.db2.gz KSSRJVFFJQJZFQ-UHFFFAOYSA-N 2 0 326.444 2.885 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007345493 1307381874 /nfs/dbraw/zinc/38/18/74/1307381874.db2.gz RHLAACIBGDFQMS-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH+]1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045557174 1307428478 /nfs/dbraw/zinc/42/84/78/1307428478.db2.gz XDZBDPDNEJCWCP-UHFFFAOYSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498187 1307472126 /nfs/dbraw/zinc/47/21/26/1307472126.db2.gz ISUVXRXRKJFELU-HKUYNNGSSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705474 1314203656 /nfs/dbraw/zinc/20/36/56/1314203656.db2.gz NRCLJXGCIVSOCF-ZRNYENFQSA-N 2 0 343.515 2.528 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209651584 1314210575 /nfs/dbraw/zinc/21/05/75/1314210575.db2.gz UCVPYPFFFMMRPU-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001209652170 1314210724 /nfs/dbraw/zinc/21/07/24/1314210724.db2.gz XVADZPSYKFYAPA-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921971 1307900136 /nfs/dbraw/zinc/90/01/36/1307900136.db2.gz WMAXWZYIPCIGAA-SJLPKXTDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045921972 1307900188 /nfs/dbraw/zinc/90/01/88/1307900188.db2.gz WMAXWZYIPCIGAA-WMZOPIPTSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938278 1307940895 /nfs/dbraw/zinc/94/08/95/1307940895.db2.gz WKENKYWGPDVBHW-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938629 1307941321 /nfs/dbraw/zinc/94/13/21/1307941321.db2.gz HCHMRCXRISMXGP-ZVDOUQERSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001045939128 1307942655 /nfs/dbraw/zinc/94/26/55/1307942655.db2.gz WDWBIVBDRJJGEJ-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273788 1307951385 /nfs/dbraw/zinc/95/13/85/1307951385.db2.gz AJOKHYFCYJHKHE-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045941898 1307951559 /nfs/dbraw/zinc/95/15/59/1307951559.db2.gz OMNYTJSUGPCDDM-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273786 1307951654 /nfs/dbraw/zinc/95/16/54/1307951654.db2.gz AJOKHYFCYJHKHE-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942567 1307954201 /nfs/dbraw/zinc/95/42/01/1307954201.db2.gz UQCHSQUAIMKCPA-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947484 1307970153 /nfs/dbraw/zinc/97/01/53/1307970153.db2.gz LZNQKCVLFRXNJA-AEFFLSMTSA-N 2 0 341.927 2.784 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045960317 1308004499 /nfs/dbraw/zinc/00/44/99/1308004499.db2.gz CLTAUNIHWRWIQD-BJLQDIEVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965954 1308021009 /nfs/dbraw/zinc/02/10/09/1308021009.db2.gz NMBLZEHAPQCCHA-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001045976121 1308050731 /nfs/dbraw/zinc/05/07/31/1308050731.db2.gz RCINDEDDGZMPLF-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985760 1308085671 /nfs/dbraw/zinc/08/56/71/1308085671.db2.gz BRODTHCDYKBJMG-OAQYLSRUSA-N 2 0 345.531 2.590 20 30 EFEDRP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986537 1308088439 /nfs/dbraw/zinc/08/84/39/1308088439.db2.gz TXPRVDAGQOUYDE-CTNGQTDRSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319510 1308536683 /nfs/dbraw/zinc/53/66/83/1308536683.db2.gz SZKRGCFDNMSOAB-PXNSSMCTSA-N 2 0 333.520 2.798 20 30 EFEDRP N#Cc1nc2ccc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2s1 ZINC001210269582 1314306048 /nfs/dbraw/zinc/30/60/48/1314306048.db2.gz XHKZCWLMKSVCDA-UHFFFAOYSA-N 2 0 336.424 2.716 20 30 EFEDRP N#Cc1c(F)c(Cl)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210270344 1314306485 /nfs/dbraw/zinc/30/64/85/1314306485.db2.gz AHCADLJHYMKUBX-UHFFFAOYSA-N 2 0 331.782 2.899 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052708922 1314315415 /nfs/dbraw/zinc/31/54/15/1314315415.db2.gz HSWXBOOGAJHNRS-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046934280 1309711391 /nfs/dbraw/zinc/71/13/91/1309711391.db2.gz AAPKGUNOCGKUCY-CVEARBPZSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046938102 1309718292 /nfs/dbraw/zinc/71/82/92/1309718292.db2.gz OKYXADSFBCYTSE-HZPDHXFCSA-N 2 0 343.462 2.509 20 30 EFEDRP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046953909 1309758061 /nfs/dbraw/zinc/75/80/61/1309758061.db2.gz MEHTXAORONBLBO-HNNXBMFYSA-N 2 0 348.397 2.597 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047242062 1310393264 /nfs/dbraw/zinc/39/32/64/1310393264.db2.gz QVHZACLSQVXXAR-YZGWKJHDSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047244678 1310401787 /nfs/dbraw/zinc/40/17/87/1310401787.db2.gz UMTJUFJXUHGOHS-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001047246727 1310406515 /nfs/dbraw/zinc/40/65/15/1310406515.db2.gz WRQGMGAPGCBUEE-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001047249137 1310413561 /nfs/dbraw/zinc/41/35/61/1310413561.db2.gz RYGFYSSUGFVPFY-YSIASYRMSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001047253634 1310424905 /nfs/dbraw/zinc/42/49/05/1310424905.db2.gz FCWJCCMBPKKZHC-RTBURBONSA-N 2 0 335.536 2.709 20 30 EFEDRP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001276689436 1314385771 /nfs/dbraw/zinc/38/57/71/1314385771.db2.gz CZMYPHDJWBZTHY-OKYOBFRVSA-N 2 0 335.536 2.735 20 30 EFEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176499 1310494959 /nfs/dbraw/zinc/49/49/59/1310494959.db2.gz YVUBJYKSRQVXKT-QYZOEREBSA-N 2 0 327.472 2.659 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712715 1311017408 /nfs/dbraw/zinc/01/74/08/1311017408.db2.gz MQVLSGGPRIPNMF-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848755 1311042452 /nfs/dbraw/zinc/04/24/52/1311042452.db2.gz FKYRPEQXSJXUJK-BHIYHBOVSA-N 2 0 333.520 2.606 20 30 EFEDRP C(#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1)c1ccccc1 ZINC001222090974 1311082664 /nfs/dbraw/zinc/08/26/64/1311082664.db2.gz LLHDMQHATPJDKV-UHFFFAOYSA-N 2 0 345.490 2.614 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099526663 1311100645 /nfs/dbraw/zinc/10/06/45/1311100645.db2.gz AAFBRQIPCHMZDN-YRPNKDGESA-N 2 0 347.547 2.853 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443091 1311132649 /nfs/dbraw/zinc/13/26/49/1311132649.db2.gz QXSAKJZUBKCJTR-QRVBRYPASA-N 2 0 335.536 2.974 20 30 EFEDRP C=CC[NH2+]CCN1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573730 1311154545 /nfs/dbraw/zinc/15/45/45/1311154545.db2.gz CJVJESLFQAIYKZ-HXUWFJFHSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001222877641 1311193882 /nfs/dbraw/zinc/19/38/82/1311193882.db2.gz YPOJOKOKDPYWFI-AABGKKOBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312669 1311232187 /nfs/dbraw/zinc/23/21/87/1311232187.db2.gz FKQDGRTZUBUHCQ-NQIIRXRSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001101568215 1311250479 /nfs/dbraw/zinc/25/04/79/1311250479.db2.gz SQCRJDNLERCRQX-UHFFFAOYSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001101590489 1311252305 /nfs/dbraw/zinc/25/23/05/1311252305.db2.gz UOJZTKPAWDJYEB-UHFFFAOYSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC001223464718 1311263497 /nfs/dbraw/zinc/26/34/97/1311263497.db2.gz ASDLPXGRJJSCKA-FUHWJXTLSA-N 2 0 344.503 2.943 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001223464707 1311263678 /nfs/dbraw/zinc/26/36/78/1311263678.db2.gz ASDLPXGRJJSCKA-AEFFLSMTSA-N 2 0 344.503 2.943 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505503 1311270036 /nfs/dbraw/zinc/27/00/36/1311270036.db2.gz FWLQAHFEQXFCLS-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976159 1311271268 /nfs/dbraw/zinc/27/12/68/1311271268.db2.gz LVMILRQFQLBQHQ-RLLQIKCJSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079187 1311278583 /nfs/dbraw/zinc/27/85/83/1311278583.db2.gz YZLKAASWVYTMEF-GUDVDZBRSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102152089 1311288014 /nfs/dbraw/zinc/28/80/14/1311288014.db2.gz RCYZYXAWTOYDSX-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001223661194 1311288371 /nfs/dbraw/zinc/28/83/71/1311288371.db2.gz MOCNYKFJSBTGPD-KRWDZBQOSA-N 2 0 344.503 2.617 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190181 1311293530 /nfs/dbraw/zinc/29/35/30/1311293530.db2.gz VNVBWYIEZGELII-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnccc3N(C)C)C[C@@H]21 ZINC001223923153 1311322038 /nfs/dbraw/zinc/32/20/38/1311322038.db2.gz SBDARBMZWHXDMX-APWZRJJASA-N 2 0 342.487 2.650 20 30 EFEDRP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546288 1311405613 /nfs/dbraw/zinc/40/56/13/1311405613.db2.gz JCIMQHZYXFKHHQ-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)C[C@@H](C)CC)CC1 ZINC001158914686 1311415775 /nfs/dbraw/zinc/41/57/75/1311415775.db2.gz RZUBEZVVLMKBLW-AZUAARDMSA-N 2 0 347.547 2.691 20 30 EFEDRP CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(C#N)c1F)C2 ZINC001277006827 1311450525 /nfs/dbraw/zinc/45/05/25/1311450525.db2.gz GAKZOTDAKALMSH-HXUWFJFHSA-N 2 0 344.478 2.547 20 30 EFEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225143324 1311482146 /nfs/dbraw/zinc/48/21/46/1311482146.db2.gz XHKAEWWUMPYNQQ-LJQANCHMSA-N 2 0 329.488 2.694 20 30 EFEDRP C[NH+]1CCN(c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2C#N)CC1 ZINC001159527185 1311533928 /nfs/dbraw/zinc/53/39/28/1311533928.db2.gz DPNVZMAHISRMIO-UHFFFAOYSA-N 2 0 347.466 2.699 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225570991 1311545632 /nfs/dbraw/zinc/54/56/32/1311545632.db2.gz GDTLWSZMPGXPQO-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225570992 1311545796 /nfs/dbraw/zinc/54/57/96/1311545796.db2.gz GDTLWSZMPGXPQO-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP Cc1[nH]c2ccc(Nc3ccc(N4CC[NH2+]CC4)c(C#N)c3)cc2[nH+]1 ZINC001159749217 1311577891 /nfs/dbraw/zinc/57/78/91/1311577891.db2.gz ZHUXNKBJZOPTTB-UHFFFAOYSA-N 2 0 332.411 2.896 20 30 EFEDRP N#CC1(Nc2ccc3c(n2)CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001160099984 1311643847 /nfs/dbraw/zinc/64/38/47/1311643847.db2.gz KYAYQUVQSFUGNU-UHFFFAOYSA-N 2 0 347.466 2.698 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126073 1311648641 /nfs/dbraw/zinc/64/86/41/1311648641.db2.gz SPBNYRBTDGQEIO-UHFFFAOYSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131019 1311650374 /nfs/dbraw/zinc/65/03/74/1311650374.db2.gz CYCPGXBQSYDKGN-PMACEKPBSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131323 1311650745 /nfs/dbraw/zinc/65/07/45/1311650745.db2.gz LKRGGRWZUFFKKY-RTBURBONSA-N 2 0 331.504 2.575 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131020 1311650929 /nfs/dbraw/zinc/65/09/29/1311650929.db2.gz CYCPGXBQSYDKGN-UXHICEINSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142713 1311653708 /nfs/dbraw/zinc/65/37/08/1311653708.db2.gz UHSACFFXKAHBAE-IBGZPJMESA-N 2 0 345.531 2.965 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360347 1311697342 /nfs/dbraw/zinc/69/73/42/1311697342.db2.gz PKBZFIIOAVKHJW-HXUWFJFHSA-N 2 0 343.515 2.555 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277152018 1311715925 /nfs/dbraw/zinc/71/59/25/1311715925.db2.gz OVPXWOOAOIQWSE-AZUAARDMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466071 1311716001 /nfs/dbraw/zinc/71/60/01/1311716001.db2.gz AHXCISOIPXHZSL-RBUKOAKNSA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277152513 1311716786 /nfs/dbraw/zinc/71/67/86/1311716786.db2.gz RHKFLJUAELHNOO-UYAOXDASSA-N 2 0 335.536 2.855 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001226766751 1311720233 /nfs/dbraw/zinc/72/02/33/1311720233.db2.gz PBPXYXFEMNPPDS-IPMKNSEASA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567893 1311739445 /nfs/dbraw/zinc/73/94/45/1311739445.db2.gz OYTPWYWZVSBHFM-IBGZPJMESA-N 2 0 333.520 2.821 20 30 EFEDRP C#C[C@@H](CC)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227160304 1311770295 /nfs/dbraw/zinc/77/02/95/1311770295.db2.gz FRTMEODODBTHDJ-IBGZPJMESA-N 3 0 331.504 2.662 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778422 1311779439 /nfs/dbraw/zinc/77/94/39/1311779439.db2.gz MPTOZNVKMCMAAK-UHFFFAOYSA-N 2 0 345.531 2.803 20 30 EFEDRP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787437 1311781405 /nfs/dbraw/zinc/78/14/05/1311781405.db2.gz NUUJUAMCRGDYMD-HXUWFJFHSA-N 2 0 345.531 2.965 20 30 EFEDRP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408861 1311804230 /nfs/dbraw/zinc/80/42/30/1311804230.db2.gz ZIXAKGGQZCBXNA-IBGZPJMESA-N 2 0 335.536 2.879 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001160957660 1311821347 /nfs/dbraw/zinc/82/13/47/1311821347.db2.gz OGIOHFRRRDQITR-KRWDZBQOSA-N 2 0 330.476 2.522 20 30 EFEDRP CCCCCCC[NH+]1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277225106 1311829984 /nfs/dbraw/zinc/82/99/84/1311829984.db2.gz GMIAWXAWWIQKIO-GOSISDBHSA-N 2 0 335.536 2.831 20 30 EFEDRP CCCCCCC[NH+]1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277225107 1311830160 /nfs/dbraw/zinc/83/01/60/1311830160.db2.gz GMIAWXAWWIQKIO-SFHVURJKSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227618717 1311831343 /nfs/dbraw/zinc/83/13/43/1311831343.db2.gz IJQXRBNBHCWRRQ-RDJZCZTQSA-N 2 0 327.488 2.602 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001227703098 1311842290 /nfs/dbraw/zinc/84/22/90/1311842290.db2.gz BKCGJAJKZVUQGE-GUDVDZBRSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525172 1311861238 /nfs/dbraw/zinc/86/12/38/1311861238.db2.gz NYNGTUIXYXCSMN-LTFPLMDUSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048532248 1311870982 /nfs/dbraw/zinc/87/09/82/1311870982.db2.gz WYJWAQAPIIIGRG-OKYOBFRVSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001227953185 1311878947 /nfs/dbraw/zinc/87/89/47/1311878947.db2.gz CTFIDFCDWKVIHC-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538258 1311878987 /nfs/dbraw/zinc/87/89/87/1311878987.db2.gz NQSJWLYELITCBF-FQBWVUSXSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N(Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001161401910 1311879654 /nfs/dbraw/zinc/87/96/54/1311879654.db2.gz XIQSIAUHUHFOIK-ZJOUEHCJSA-N 2 0 341.499 2.902 20 30 EFEDRP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543332 1311885443 /nfs/dbraw/zinc/88/54/43/1311885443.db2.gz TWYJPJDECLRGDT-REPLKXPHSA-N 2 0 345.531 2.940 20 30 EFEDRP 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 ZINC001048556863 1311901561 /nfs/dbraw/zinc/90/15/61/1311901561.db2.gz WTHKALBIEACTQA-FKSLSLAPSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1occc1C[NH+](C)C ZINC001228207481 1311914911 /nfs/dbraw/zinc/91/49/11/1311914911.db2.gz UUVPRCDYVRKDOY-IAGOWNOFSA-N 2 0 333.476 2.938 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001161689162 1311952297 /nfs/dbraw/zinc/95/22/97/1311952297.db2.gz XRMDDFAQGOSKQO-NRFANRHFSA-N 2 0 341.499 2.788 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228558928 1311964768 /nfs/dbraw/zinc/96/47/68/1311964768.db2.gz IGRAQIUWORBVLK-OAGGEKHMSA-N 2 0 329.916 2.876 20 30 EFEDRP CC#CC[N@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930770 1312006003 /nfs/dbraw/zinc/00/60/03/1312006003.db2.gz ISBORGOJLVLGPS-UHFFFAOYSA-N 2 0 339.483 2.524 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932102 1312006602 /nfs/dbraw/zinc/00/66/02/1312006602.db2.gz RDTFDSMWCSYSDR-UHFFFAOYSA-N 2 0 333.520 2.967 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161932014 1312006639 /nfs/dbraw/zinc/00/66/39/1312006639.db2.gz PGCWQQPZNZMOCW-UHFFFAOYSA-N 2 0 327.472 2.686 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCC(C)C)CC2)CC1 ZINC001161946799 1312011048 /nfs/dbraw/zinc/01/10/48/1312011048.db2.gz DXPRKUJPKHXALE-UHFFFAOYSA-N 2 0 345.531 2.516 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952369 1312012309 /nfs/dbraw/zinc/01/23/09/1312012309.db2.gz HHLIGHHAULLJKE-LJQANCHMSA-N 2 0 333.520 2.821 20 30 EFEDRP C#CC[N@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001161986285 1312021795 /nfs/dbraw/zinc/02/17/95/1312021795.db2.gz AAGCHSWOWMYEEO-UHFFFAOYSA-N 2 0 343.471 2.507 20 30 EFEDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000902737363 1312063998 /nfs/dbraw/zinc/06/39/98/1312063998.db2.gz WADBOJHAEXNGDC-FQEVSTJZSA-N 2 0 349.482 2.946 20 30 EFEDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902790830 1312110485 /nfs/dbraw/zinc/11/04/85/1312110485.db2.gz RKDJHOTZBDYSDP-XLIONFOSSA-N 2 0 328.504 2.873 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001229615874 1312119812 /nfs/dbraw/zinc/11/98/12/1312119812.db2.gz WCRBQYZTMKDJKQ-RTBURBONSA-N 2 0 333.520 2.702 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001229632578 1312122021 /nfs/dbraw/zinc/12/20/21/1312122021.db2.gz DTRIFPCTFNJQDA-GGPKGHCWSA-N 2 0 329.488 2.666 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717703 1312127511 /nfs/dbraw/zinc/12/75/11/1312127511.db2.gz VVFRUNZZIDYUOC-QZTJIDSGSA-N 2 0 341.540 2.552 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001230000332 1312168658 /nfs/dbraw/zinc/16/86/58/1312168658.db2.gz VJEOSDYZMCYWPX-FQEVSTJZSA-N 2 0 329.488 2.620 20 30 EFEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001230017542 1312172105 /nfs/dbraw/zinc/17/21/05/1312172105.db2.gz ZXXYLQNASJIHOI-LJQANCHMSA-N 2 0 329.488 2.836 20 30 EFEDRP C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CC[NH+](C)C ZINC001162919324 1312204065 /nfs/dbraw/zinc/20/40/65/1312204065.db2.gz PWQOBCVJSBHJNH-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982564 1312218328 /nfs/dbraw/zinc/21/83/28/1312218328.db2.gz IFUWVZNOJYEDSS-UHFFFAOYSA-N 2 0 345.531 2.955 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@@H+](C)CCC ZINC001162987070 1312219638 /nfs/dbraw/zinc/21/96/38/1312219638.db2.gz IGORPJMYXDHRHP-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC/C=C\CCC)CC2)CC1 ZINC001230344880 1312226653 /nfs/dbraw/zinc/22/66/53/1312226653.db2.gz OOTAQARHVMCFCI-SREVYHEPSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001230537376 1312259841 /nfs/dbraw/zinc/25/98/41/1312259841.db2.gz FYWWRYJTNTXQSY-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230537379 1312260119 /nfs/dbraw/zinc/26/01/19/1312260119.db2.gz FYWWRYJTNTXQSY-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001230572856 1312268997 /nfs/dbraw/zinc/26/89/97/1312268997.db2.gz UWKSATVBSYMHGU-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001230575899 1312271147 /nfs/dbraw/zinc/27/11/47/1312271147.db2.gz SIBWYQHQPZQOTA-MOPGFXCFSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598733 1312279075 /nfs/dbraw/zinc/27/90/75/1312279075.db2.gz XTLGMMQWVLQLIO-WOJBJXKFSA-N 2 0 347.547 2.833 20 30 EFEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001230611623 1312282810 /nfs/dbraw/zinc/28/28/10/1312282810.db2.gz WDLGLTQWZFQNCW-HXUWFJFHSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611357 1312283391 /nfs/dbraw/zinc/28/33/91/1312283391.db2.gz RBLWGLCWWPVGGW-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230617500 1312284937 /nfs/dbraw/zinc/28/49/37/1312284937.db2.gz BHQJHVIBSXFXFB-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230617497 1312284955 /nfs/dbraw/zinc/28/49/55/1312284955.db2.gz BHQJHVIBSXFXFB-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230628128 1312289837 /nfs/dbraw/zinc/28/98/37/1312289837.db2.gz HHAHTYSRDCGDHJ-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCCC1(CCNc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)N=N1 ZINC001163385426 1312301411 /nfs/dbraw/zinc/30/14/11/1312301411.db2.gz MGXZQOMHHLIGAS-UHFFFAOYSA-N 2 0 327.432 2.932 20 30 EFEDRP C=CCCC[NH+](CCCNC(=O)CC[N@@H+](C)CC)Cc1cccnc1 ZINC001230890821 1312382809 /nfs/dbraw/zinc/38/28/09/1312382809.db2.gz KBLCRCBRZQGJFM-UHFFFAOYSA-N 2 0 346.519 2.698 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094082 1312448845 /nfs/dbraw/zinc/44/88/45/1312448845.db2.gz DJHAFLUKAVSVEK-QRVBRYPASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554818 1312538420 /nfs/dbraw/zinc/53/84/20/1312538420.db2.gz HRXYUYPPRJGHBG-SJLPKXTDSA-N 2 0 333.520 2.559 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582059 1312543379 /nfs/dbraw/zinc/54/33/79/1312543379.db2.gz FLELCTBATPTWFB-QZTJIDSGSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485036 1312636159 /nfs/dbraw/zinc/63/61/59/1312636159.db2.gz KGVQUQNTRUTXIH-SFHVURJKSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165484700 1312636491 /nfs/dbraw/zinc/63/64/91/1312636491.db2.gz GZBPUZABDZUMBA-GOSISDBHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165492331 1312637943 /nfs/dbraw/zinc/63/79/43/1312637943.db2.gz QNEBRZNWQGJRAX-MRXNPFEDSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857738 1314425794 /nfs/dbraw/zinc/42/57/94/1314425794.db2.gz SOTFRMSPODRGKW-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126983 1314437673 /nfs/dbraw/zinc/43/76/73/1314437673.db2.gz XNNWUZHFWUFMSR-MRXNPFEDSA-N 2 0 327.900 2.586 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001211233578 1314460774 /nfs/dbraw/zinc/46/07/74/1314460774.db2.gz IXBVMUISUUDNJT-ROUKRRSUSA-N 2 0 345.531 2.659 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052959001 1314518290 /nfs/dbraw/zinc/51/82/90/1314518290.db2.gz QCCIYJGNKFFCOZ-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@]1(O)CCCC[NH2+]C1 ZINC001245976345 1314558004 /nfs/dbraw/zinc/55/80/04/1314558004.db2.gz SAZJZFZACHNMAD-RBUKOAKNSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001245983573 1314558964 /nfs/dbraw/zinc/55/89/64/1314558964.db2.gz LKGXDZLPFVZCFS-YRXWBPOGSA-N 2 0 326.525 2.845 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245991951 1314561205 /nfs/dbraw/zinc/56/12/05/1314561205.db2.gz WQPHMEDXAZJMNN-HXUWFJFHSA-N 2 0 339.568 2.904 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H](O)C1CC[NH2+]CC1 ZINC001246005607 1314564927 /nfs/dbraw/zinc/56/49/27/1314564927.db2.gz VVXQDVLWQPMUTN-RTBURBONSA-N 2 0 328.541 2.828 20 30 EFEDRP CCCCCCCCCCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246006608 1314565021 /nfs/dbraw/zinc/56/50/21/1314565021.db2.gz XUHBIACLNQDDCZ-SFHVURJKSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H](O)C1CC[NH2+]CC1 ZINC001246005599 1314565278 /nfs/dbraw/zinc/56/52/78/1314565278.db2.gz VVXQDVLWQPMUTN-MOPGFXCFSA-N 2 0 328.541 2.828 20 30 EFEDRP CCCCCCCCCC[N@H+](C)C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246062667 1314577042 /nfs/dbraw/zinc/57/70/42/1314577042.db2.gz NBSWGRJNJBXINJ-GOSISDBHSA-N 2 0 328.541 2.924 20 30 EFEDRP CCCCCCCC[C@@H](O)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246061133 1314577150 /nfs/dbraw/zinc/57/71/50/1314577150.db2.gz WYHZQOMJQNMRMG-RBUKOAKNSA-N 2 0 327.557 2.714 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246066003 1314578318 /nfs/dbraw/zinc/57/83/18/1314578318.db2.gz XUXMMJQIVWKXOL-SQNIBIBYSA-N 2 0 342.524 2.700 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028342 1314600009 /nfs/dbraw/zinc/60/00/09/1314600009.db2.gz LEVFQFPPFZEBMQ-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029934 1314602784 /nfs/dbraw/zinc/60/27/84/1314602784.db2.gz YLTOQVQBOVIGAO-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029931 1314603403 /nfs/dbraw/zinc/60/34/03/1314603403.db2.gz YLTOQVQBOVIGAO-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246306096 1314608335 /nfs/dbraw/zinc/60/83/35/1314608335.db2.gz SRQZLTLVVZLUAO-INIZCTEOSA-N 2 0 329.444 2.633 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001053043755 1314626478 /nfs/dbraw/zinc/62/64/78/1314626478.db2.gz YYRKJTGSVWDELT-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045184 1314628678 /nfs/dbraw/zinc/62/86/78/1314628678.db2.gz XQULGEUSTLDNLJ-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[C@@H](N)C(=O)OCc2ccccc2)C1 ZINC001246485852 1314634934 /nfs/dbraw/zinc/63/49/34/1314634934.db2.gz ORNWZGZMLJIJDM-KZNAEPCWSA-N 2 0 329.444 2.509 20 30 EFEDRP N#C[C@H]1CC[C@H]([NH2+]CCCC[C@@H](N)C(=O)OCc2ccccc2)C1 ZINC001246485854 1314634945 /nfs/dbraw/zinc/63/49/45/1314634945.db2.gz ORNWZGZMLJIJDM-OKZBNKHCSA-N 2 0 329.444 2.509 20 30 EFEDRP N#Cc1ccccc1N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246531535 1314642807 /nfs/dbraw/zinc/64/28/07/1314642807.db2.gz UVHRLPWXXWFUHE-UHFFFAOYSA-N 2 0 338.499 2.993 20 30 EFEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246545113 1314645509 /nfs/dbraw/zinc/64/55/09/1314645509.db2.gz SZWXRNVLFQBICD-MHJFOBGBSA-N 2 0 345.462 2.705 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)C1 ZINC001246551993 1314646751 /nfs/dbraw/zinc/64/67/51/1314646751.db2.gz UBUVYUZRMXIQDN-CMKODMSKSA-N 2 0 349.519 2.874 20 30 EFEDRP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561629 1314648931 /nfs/dbraw/zinc/64/89/31/1314648931.db2.gz RJKBQPGUQFRXEF-SOAGJPPSSA-N 2 0 345.462 2.705 20 30 EFEDRP CCCCCCC[C@H](CCC)[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246626736 1314660071 /nfs/dbraw/zinc/66/00/71/1314660071.db2.gz KOCGXKFJFNRLPU-PXNSSMCTSA-N 2 0 335.536 2.927 20 30 EFEDRP N#Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)c(F)c1 ZINC001246863868 1314698933 /nfs/dbraw/zinc/69/89/33/1314698933.db2.gz LZFVANDICAPLKG-XLIONFOSSA-N 2 0 342.462 2.742 20 30 EFEDRP N#Cc1cccc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC001246892976 1314704740 /nfs/dbraw/zinc/70/47/40/1314704740.db2.gz PNLKMZLKCJHLSV-UHFFFAOYSA-N 2 0 338.499 2.993 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001053099214 1314714563 /nfs/dbraw/zinc/71/45/63/1314714563.db2.gz BIIJHRWSEXGLJC-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103963 1314724081 /nfs/dbraw/zinc/72/40/81/1314724081.db2.gz BEBKUOXNBRXBHX-VQTJNVASSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105413 1314727924 /nfs/dbraw/zinc/72/79/24/1314727924.db2.gz OIIZDTXZBJZVRE-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855975 1314748249 /nfs/dbraw/zinc/74/82/49/1314748249.db2.gz SXCWSQQVJDVUGH-QRQLOZEOSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001215069558 1314776796 /nfs/dbraw/zinc/77/67/96/1314776796.db2.gz VANKCBWUHHCKFC-IIDMSEBBSA-N 2 0 326.444 2.739 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153507 1314790178 /nfs/dbraw/zinc/79/01/78/1314790178.db2.gz UQAWFNAEOHTSOT-RVKKMQEKSA-N 2 0 326.444 2.739 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228590 1314803072 /nfs/dbraw/zinc/80/30/72/1314803072.db2.gz WKRYQYWNCWPDIW-RHSMWYFYSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539952 1314847767 /nfs/dbraw/zinc/84/77/67/1314847767.db2.gz FFIKMWQFXOISNB-GPMSIDNRSA-N 2 0 339.499 2.602 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215541376 1314847781 /nfs/dbraw/zinc/84/77/81/1314847781.db2.gz ZWNHQMARQSVLNI-MDZRGWNJSA-N 2 0 339.499 2.602 20 30 EFEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310370 1315299207 /nfs/dbraw/zinc/29/92/07/1315299207.db2.gz AKYLAJQQNAOOHU-SFHVURJKSA-N 2 0 345.563 2.913 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054128909 1315336932 /nfs/dbraw/zinc/33/69/32/1315336932.db2.gz GMWKEPKWLSDQBV-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129239 1315336973 /nfs/dbraw/zinc/33/69/73/1315336973.db2.gz MYRODSLPEVPJRV-UYAOXDASSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142460 1315359568 /nfs/dbraw/zinc/35/95/68/1315359568.db2.gz CGKSBAUABKMOGS-TZIWHRDSSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054144334 1315362993 /nfs/dbraw/zinc/36/29/93/1315362993.db2.gz TWUGMYZRUAOBGR-QGZVFWFLSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145671 1315365114 /nfs/dbraw/zinc/36/51/14/1315365114.db2.gz VSZGBLODGUWIMJ-GOSISDBHSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054145518 1315366044 /nfs/dbraw/zinc/36/60/44/1315366044.db2.gz RDIJOIFXWZAJMH-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001054158372 1315385682 /nfs/dbraw/zinc/38/56/82/1315385682.db2.gz KDNRJPYJEOGZEZ-HXUWFJFHSA-N 2 0 338.455 2.757 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159152 1315387114 /nfs/dbraw/zinc/38/71/14/1315387114.db2.gz TUHUFAVYGPLLJX-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054159156 1315387510 /nfs/dbraw/zinc/38/75/10/1315387510.db2.gz TUHUFAVYGPLLJX-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252130718 1315417204 /nfs/dbraw/zinc/41/72/04/1315417204.db2.gz XFPDFSHEWSXYSI-LJQANCHMSA-N 2 0 327.557 2.667 20 30 EFEDRP CCCCCCCC[C@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252128150 1315416872 /nfs/dbraw/zinc/41/68/72/1315416872.db2.gz JEBIABSWSCKAJV-SFHVURJKSA-N 2 0 344.540 2.915 20 30 EFEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252128163 1315417060 /nfs/dbraw/zinc/41/70/60/1315417060.db2.gz JODHZKCFSYFLAZ-HSALFYBXSA-N 2 0 339.568 2.808 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1occc1C[NH+](C)C)C2 ZINC001054186588 1315428113 /nfs/dbraw/zinc/42/81/13/1315428113.db2.gz WMKVPBKFEUKPAY-FQEVSTJZSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190475 1315430952 /nfs/dbraw/zinc/43/09/52/1315430952.db2.gz KINQAPUNHDAPLU-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039075021 1315449474 /nfs/dbraw/zinc/44/94/74/1315449474.db2.gz XCPMRVLTRQXYBG-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCOC[C@H](O)C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001252460527 1315451985 /nfs/dbraw/zinc/45/19/85/1315451985.db2.gz CPCNZBKGKKOOPE-MJGOQNOKSA-N 2 0 348.487 2.520 20 30 EFEDRP C=CCOC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001252467433 1315453109 /nfs/dbraw/zinc/45/31/09/1315453109.db2.gz YNBKOLROBPMBLB-FQEVSTJZSA-N 2 0 344.499 2.538 20 30 EFEDRP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252474223 1315453920 /nfs/dbraw/zinc/45/39/20/1315453920.db2.gz WTIUPJRDXZAUDC-SFTDATJTSA-N 2 0 344.499 2.538 20 30 EFEDRP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209474 1315459913 /nfs/dbraw/zinc/45/99/13/1315459913.db2.gz QYQMCYOGXQDSSY-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209785 1315461347 /nfs/dbraw/zinc/46/13/47/1315461347.db2.gz XSVZMCKNVULOTM-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001252553239 1315467995 /nfs/dbraw/zinc/46/79/95/1315467995.db2.gz UYBXMAASWLRXBZ-LJQANCHMSA-N 2 0 329.488 2.695 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219822 1315475744 /nfs/dbraw/zinc/47/57/44/1315475744.db2.gz XKFRZAZQEWJVMG-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226795 1315484873 /nfs/dbraw/zinc/48/48/73/1315484873.db2.gz ZRCYQXSANACRQU-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227254 1315486316 /nfs/dbraw/zinc/48/63/16/1315486316.db2.gz FZLDUEVDVFAOTO-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244508 1315515277 /nfs/dbraw/zinc/51/52/77/1315515277.db2.gz FYEDBZRJZRSBAP-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245082 1315516214 /nfs/dbraw/zinc/51/62/14/1315516214.db2.gz OLXSBASZNPZJQA-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245476 1315516589 /nfs/dbraw/zinc/51/65/89/1315516589.db2.gz TURIUNOXCWDUIW-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001039134471 1315518646 /nfs/dbraw/zinc/51/86/46/1315518646.db2.gz QKNZPFVOEMOHEP-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039134494 1315518852 /nfs/dbraw/zinc/51/88/52/1315518852.db2.gz QPTUGYPOEDVBOA-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134706 1315519223 /nfs/dbraw/zinc/51/92/23/1315519223.db2.gz UNPKJGUQIBOGGU-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134708 1315519808 /nfs/dbraw/zinc/51/98/08/1315519808.db2.gz UNPKJGUQIBOGGU-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039138361 1315525472 /nfs/dbraw/zinc/52/54/72/1315525472.db2.gz OVOZLQVCDSLDEC-VQTJNVASSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039140909 1315530185 /nfs/dbraw/zinc/53/01/85/1315530185.db2.gz KOECVJLVUVPEFD-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001039159280 1315555571 /nfs/dbraw/zinc/55/55/71/1315555571.db2.gz IVYRIHSVJXNICV-IBGZPJMESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631304 1315566882 /nfs/dbraw/zinc/56/68/82/1315566882.db2.gz KHSYTRKIARWQBK-QRVBRYPASA-N 2 0 335.536 2.852 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167183 1315568464 /nfs/dbraw/zinc/56/84/64/1315568464.db2.gz NTKNFUOACGMEFU-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646475 1315569758 /nfs/dbraw/zinc/56/97/58/1315569758.db2.gz CGFOYQAJZRBZAZ-GUDVDZBRSA-N 2 0 335.536 2.974 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182496 1315589827 /nfs/dbraw/zinc/58/98/27/1315589827.db2.gz PBURGQDMGQHXBE-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204692 1315617291 /nfs/dbraw/zinc/61/72/91/1315617291.db2.gz AAJZIUOIENYCGV-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205256 1315618184 /nfs/dbraw/zinc/61/81/84/1315618184.db2.gz NXZYFEIWPOSYEY-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208315 1315621624 /nfs/dbraw/zinc/62/16/24/1315621624.db2.gz CENNCFZXPGMGQT-AEFFLSMTSA-N 2 0 330.476 2.621 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001039213461 1315629760 /nfs/dbraw/zinc/62/97/60/1315629760.db2.gz KDGBGCDMLCTJKN-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224093 1315643629 /nfs/dbraw/zinc/64/36/29/1315643629.db2.gz CQDTWGBGLASYFZ-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001039228550 1315650715 /nfs/dbraw/zinc/65/07/15/1315650715.db2.gz JFYFUJLXNHRWSG-VQIMIIECSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236350 1315660641 /nfs/dbraw/zinc/66/06/41/1315660641.db2.gz ZHUKSVDNPOBZNE-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039236864 1315661191 /nfs/dbraw/zinc/66/11/91/1315661191.db2.gz FVVJWAXJRJOLBO-WMZOPIPTSA-N 2 0 330.476 2.621 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039237341 1315663460 /nfs/dbraw/zinc/66/34/60/1315663460.db2.gz HLIKIJYYUPREJI-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241556 1315669437 /nfs/dbraw/zinc/66/94/37/1315669437.db2.gz CLOPBCZJWMWFFD-VQTJNVASSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247382 1315677353 /nfs/dbraw/zinc/67/73/53/1315677353.db2.gz VYTKISGCQJBVQP-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250169 1315681225 /nfs/dbraw/zinc/68/12/25/1315681225.db2.gz JGPOILWHRMDXFW-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001039256921 1315688134 /nfs/dbraw/zinc/68/81/34/1315688134.db2.gz OSVNPVJZBQHRNL-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001039288646 1315703093 /nfs/dbraw/zinc/70/30/93/1315703093.db2.gz DOMPGLPBLSJUGO-ZXFUBFMLSA-N 2 0 339.911 2.725 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001039305030 1315710243 /nfs/dbraw/zinc/71/02/43/1315710243.db2.gz PGVUEROSAURGTM-YQQQUEKLSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039307619 1315711486 /nfs/dbraw/zinc/71/14/86/1315711486.db2.gz PWCPHBHTYCCKNL-MGNMYUMUSA-N 2 0 339.911 2.582 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001039308776 1315712348 /nfs/dbraw/zinc/71/23/48/1315712348.db2.gz NENIZEACEUTTJZ-NXEWRWPSSA-N 2 0 345.531 2.776 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)C1 ZINC001254517255 1315713774 /nfs/dbraw/zinc/71/37/74/1315713774.db2.gz SQCCTHDDOBNMJJ-MJGOQNOKSA-N 2 0 335.492 2.581 20 30 EFEDRP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039313776 1315714841 /nfs/dbraw/zinc/71/48/41/1315714841.db2.gz PCVWMHQMSCBDOZ-RAFMOHDBSA-N 2 0 345.531 2.632 20 30 EFEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC001254645997 1315734925 /nfs/dbraw/zinc/73/49/25/1315734925.db2.gz IOAQZBJWQRKXSH-YSTOQKLRSA-N 2 0 330.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001001522411 1315735321 /nfs/dbraw/zinc/73/53/21/1315735321.db2.gz MTUYUZMMXMQTEI-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375797 1315748552 /nfs/dbraw/zinc/74/85/52/1315748552.db2.gz XSVVTLRJQQNEJQ-MSOLQXFVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001050207368 1315749633 /nfs/dbraw/zinc/74/96/33/1315749633.db2.gz NJEROFWFTXOXSF-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001039380557 1315751402 /nfs/dbraw/zinc/75/14/02/1315751402.db2.gz VESPQVVAQKZNGE-YDZRNGNQSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384669 1315754408 /nfs/dbraw/zinc/75/44/08/1315754408.db2.gz ICQTYSPJGIFCTK-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384943 1315754570 /nfs/dbraw/zinc/75/45/70/1315754570.db2.gz SFEDVEMNLVOOIT-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399643 1315764942 /nfs/dbraw/zinc/76/49/42/1315764942.db2.gz MFDXSXPJSJCMGW-MSOLQXFVSA-N 2 0 331.504 2.646 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410962 1315773443 /nfs/dbraw/zinc/77/34/43/1315773443.db2.gz FMPGQIVHTAUNSD-QYZOEREBSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050563463 1315782910 /nfs/dbraw/zinc/78/29/10/1315782910.db2.gz KWWDWVFLKGDDNH-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050635686 1315788319 /nfs/dbraw/zinc/78/83/19/1315788319.db2.gz PDYTVOYHQSCSQY-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447811 1315797772 /nfs/dbraw/zinc/79/77/72/1315797772.db2.gz KYXUEVYUNHLWJG-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718219 1315805137 /nfs/dbraw/zinc/80/51/37/1315805137.db2.gz QQZNEZHVWUTDKL-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039473840 1315817062 /nfs/dbraw/zinc/81/70/62/1315817062.db2.gz FGMODSYVOUDNRP-QYZOEREBSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255678453 1315857007 /nfs/dbraw/zinc/85/70/07/1315857007.db2.gz GPTOQUIKQLTZEF-MJIXASBWSA-N 2 0 334.504 2.828 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256558638 1315959095 /nfs/dbraw/zinc/95/90/95/1315959095.db2.gz UVJACLVBNBOZKA-GOSISDBHSA-N 2 0 343.515 2.744 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513616 1315961414 /nfs/dbraw/zinc/96/14/14/1315961414.db2.gz HEPVCGUKRKOSJZ-MRXNPFEDSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@H]1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256622966 1315970845 /nfs/dbraw/zinc/97/08/45/1315970845.db2.gz MLYALJTXBLKTDA-VYFYYAICSA-N 2 0 334.504 2.685 20 30 EFEDRP N#Cc1cccc(N2CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256861995 1316001130 /nfs/dbraw/zinc/00/11/30/1316001130.db2.gz FDKYYTNNFXLLNB-UHFFFAOYSA-N 2 0 347.466 2.744 20 30 EFEDRP C=C1C[C@@H]2CC([NH+]3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257892255 1316101297 /nfs/dbraw/zinc/10/12/97/1316101297.db2.gz WQUAEZXSCCRKOU-OSRHQDSCSA-N 2 0 348.531 2.790 20 30 EFEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C2 ZINC001258002430 1316108423 /nfs/dbraw/zinc/10/84/23/1316108423.db2.gz KDGDZJXDBOYDHP-LJQANCHMSA-N 2 0 343.515 2.602 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040209626 1316145061 /nfs/dbraw/zinc/14/50/61/1316145061.db2.gz LLYDSOOPBJPGEY-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040211387 1316146152 /nfs/dbraw/zinc/14/61/52/1316146152.db2.gz ZIKKAJUYOASZNB-NRFANRHFSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258725640 1316173622 /nfs/dbraw/zinc/17/36/22/1316173622.db2.gz AIYUBNMSGBODOX-LMCOJAPRSA-N 2 0 343.519 2.808 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](CCC)CC1)CC2 ZINC001258773311 1316176750 /nfs/dbraw/zinc/17/67/50/1316176750.db2.gz GQEFTHOSIYNRKJ-HXUWFJFHSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040275250 1316178868 /nfs/dbraw/zinc/17/88/68/1316178868.db2.gz JUZCXHJIMAMWOW-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040279902 1316180607 /nfs/dbraw/zinc/18/06/07/1316180607.db2.gz BBIBAGVXNRTXMN-FQEVSTJZSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040348876 1316214559 /nfs/dbraw/zinc/21/45/59/1316214559.db2.gz TURXELGRHANBIT-CTNGQTDRSA-N 2 0 347.547 2.999 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433566 1316263176 /nfs/dbraw/zinc/26/31/76/1316263176.db2.gz XJGWXDFMKMZJPX-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109771 1316359217 /nfs/dbraw/zinc/35/92/17/1316359217.db2.gz MNXGODAIPWZLHR-DLBZAZTESA-N 2 0 345.487 2.727 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726024 1316360937 /nfs/dbraw/zinc/36/09/37/1316360937.db2.gz IOAQDEUIQQWJPW-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001040729732 1316361882 /nfs/dbraw/zinc/36/18/82/1316361882.db2.gz OWLPULDLIGOGCR-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040735628 1316362961 /nfs/dbraw/zinc/36/29/61/1316362961.db2.gz VSFVFSMXWAVTCI-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040746735 1316365841 /nfs/dbraw/zinc/36/58/41/1316365841.db2.gz GUPFNYZLELVBLF-MRXNPFEDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040822880 1316382742 /nfs/dbraw/zinc/38/27/42/1316382742.db2.gz OPZLCWRCIOFUBH-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040836672 1316385779 /nfs/dbraw/zinc/38/57/79/1316385779.db2.gz VSFVFSMXWAVTCI-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001040874079 1316394020 /nfs/dbraw/zinc/39/40/20/1316394020.db2.gz BGLNUIMHYCGJCD-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040913100 1316403436 /nfs/dbraw/zinc/40/34/36/1316403436.db2.gz XFCPZWLKORBTMA-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC001040947227 1316409204 /nfs/dbraw/zinc/40/92/04/1316409204.db2.gz PVCGRNYZYHETQF-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001040953005 1316410602 /nfs/dbraw/zinc/41/06/02/1316410602.db2.gz IVDSQFBYROWUCE-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC001261436370 1316412032 /nfs/dbraw/zinc/41/20/32/1316412032.db2.gz ZWUXXKMXWIQXBD-MRXNPFEDSA-N 2 0 328.460 2.598 20 30 EFEDRP C[NH+](C)CC1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCC1 ZINC001261436374 1316412345 /nfs/dbraw/zinc/41/23/45/1316412345.db2.gz AEDYGBRBHIJBMR-UHFFFAOYSA-N 2 0 328.460 2.598 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432492 1316550364 /nfs/dbraw/zinc/55/03/64/1316550364.db2.gz QJUYVQPGJJPBSF-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440516 1316551954 /nfs/dbraw/zinc/55/19/54/1316551954.db2.gz OHMPJVLORRJKRN-LJQANCHMSA-N 2 0 331.504 2.505 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001041505428 1316569551 /nfs/dbraw/zinc/56/95/51/1316569551.db2.gz ICOGQBANSDEPOH-OAQYLSRUSA-N 2 0 341.499 2.515 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506292 1316570148 /nfs/dbraw/zinc/57/01/48/1316570148.db2.gz QKGQIEDKUOYZRT-TZIWHRDSSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537606 1316581249 /nfs/dbraw/zinc/58/12/49/1316581249.db2.gz ZOYAGZPOTROBRB-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C2)C1 ZINC001041591187 1316611600 /nfs/dbraw/zinc/61/16/00/1316611600.db2.gz XSFNKJSSFPRDHX-PZJWPPBQSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041603992 1316616766 /nfs/dbraw/zinc/61/67/66/1316616766.db2.gz ZTQFEYBVBYMROZ-BJLQDIEVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)C1 ZINC001041665525 1316640735 /nfs/dbraw/zinc/64/07/35/1316640735.db2.gz UDGPFNJRYNLUHZ-JXFKEZNVSA-N 2 0 342.487 2.720 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC001041778695 1316693901 /nfs/dbraw/zinc/69/39/01/1316693901.db2.gz DYXYDVDZZCHWFT-NHCUHLMSSA-N 2 0 341.499 2.574 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782185 1316696397 /nfs/dbraw/zinc/69/63/97/1316696397.db2.gz SMQFBSALZVWMRN-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001041845968 1316732056 /nfs/dbraw/zinc/73/20/56/1316732056.db2.gz UJCINGFWJOIURU-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845967 1316732317 /nfs/dbraw/zinc/73/23/17/1316732317.db2.gz UJCAUVGEVHIOHU-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042062890 1316852340 /nfs/dbraw/zinc/85/23/40/1316852340.db2.gz PCJJOGMYQNGHTN-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121052 1316893234 /nfs/dbraw/zinc/89/32/34/1316893234.db2.gz DFSBGTUGQYWZIU-QFBILLFUSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042136374 1316902811 /nfs/dbraw/zinc/90/28/11/1316902811.db2.gz UIXRRATUGDKPRV-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042158236 1316918861 /nfs/dbraw/zinc/91/88/61/1316918861.db2.gz VYBODAXVPLIIKE-QFBILLFUSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001042162162 1316922007 /nfs/dbraw/zinc/92/20/07/1316922007.db2.gz GRPLJAXHENWDBY-ICSRJNTNSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296977 1317108547 /nfs/dbraw/zinc/10/85/47/1317108547.db2.gz KDOQLPVWHOWPAV-IEBWSBKVSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042369232 1317225318 /nfs/dbraw/zinc/22/53/18/1317225318.db2.gz VALNDHDKUDGVAW-FXAWDEMLSA-N 2 0 341.499 2.861 20 30 EFEDRP Cc1ncccc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279571432 1317305291 /nfs/dbraw/zinc/30/52/91/1317305291.db2.gz PLOYNKYQJCQVHA-UHFFFAOYSA-N 2 0 349.482 2.698 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001323636274 1329556685 /nfs/dbraw/zinc/55/66/85/1329556685.db2.gz BWTBSVQJAMXFKB-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001341643251 1332273490 /nfs/dbraw/zinc/27/34/90/1332273490.db2.gz NGDYZHSLXXSMEK-SFHVURJKSA-N 2 0 333.451 2.544 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001343560971 1332357670 /nfs/dbraw/zinc/35/76/70/1332357670.db2.gz OWNOTBZQKXKUMJ-PKOBYXMFSA-N 2 0 329.488 2.793 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001768831 1333461258 /nfs/dbraw/zinc/46/12/58/1333461258.db2.gz FFQSRXGECDYPDU-UHFFFAOYSA-N 2 0 333.476 2.749 20 30 EFEDRP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606937 1334191930 /nfs/dbraw/zinc/19/19/30/1334191930.db2.gz ZHAODJGJWHEOOG-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536438 1334235324 /nfs/dbraw/zinc/23/53/24/1334235324.db2.gz ZTBGUZXOYDCZFR-UHFFFAOYSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100537192 1334237311 /nfs/dbraw/zinc/23/73/11/1334237311.db2.gz JVVIVYSSLAXHQI-UHFFFAOYSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001354538105 1334363466 /nfs/dbraw/zinc/36/34/66/1334363466.db2.gz XZBBJAVGSYJPRH-KRWDZBQOSA-N 2 0 348.466 2.590 20 30 EFEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001100675481 1334549063 /nfs/dbraw/zinc/54/90/63/1334549063.db2.gz HLJOKEFNWVRVAQ-UHFFFAOYSA-N 2 0 343.515 2.855 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200841361 1334651355 /nfs/dbraw/zinc/65/13/55/1334651355.db2.gz QLKYJILZPZWFJS-WBVHZDCISA-N 2 0 327.488 2.602 20 30 EFEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200841360 1334651507 /nfs/dbraw/zinc/65/15/07/1334651507.db2.gz QLKYJILZPZWFJS-RDJZCZTQSA-N 2 0 327.488 2.602 20 30 EFEDRP N#Cc1cccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000849061256 1335064562 /nfs/dbraw/zinc/06/45/62/1335064562.db2.gz FIIWEZIUZIHODB-UHFFFAOYSA-N 2 0 347.466 2.837 20 30 EFEDRP CC/[NH+]=C(\N(C)C)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000849366924 1335599864 /nfs/dbraw/zinc/59/98/64/1335599864.db2.gz SBAYHOUULVGOAT-YDJIHCHBSA-N 2 0 328.504 2.912 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001366421048 1337571415 /nfs/dbraw/zinc/57/14/15/1337571415.db2.gz BYPWLKKNXWALGV-JKSUJKDBSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001366790806 1338009333 /nfs/dbraw/zinc/00/93/33/1338009333.db2.gz IFJMPIGXABWDRT-HNNXBMFYSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001367435845 1338737949 /nfs/dbraw/zinc/73/79/49/1338737949.db2.gz AFZNZEMPZXDDAI-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001368133809 1339209507 /nfs/dbraw/zinc/20/95/07/1339209507.db2.gz DYNLIYCCRXFBMH-KRWDZBQOSA-N 2 0 341.927 2.735 20 30 EFEDRP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001371848730 1340720937 /nfs/dbraw/zinc/72/09/37/1340720937.db2.gz ZHQUDSNDXXZOQL-MRXNPFEDSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001373037012 1340880817 /nfs/dbraw/zinc/88/08/17/1340880817.db2.gz SVROFPIDTBSIQQ-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001373282940 1340975425 /nfs/dbraw/zinc/97/54/25/1340975425.db2.gz VXFWWQFXXPWEQA-INIZCTEOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001373924140 1341205233 /nfs/dbraw/zinc/20/52/33/1341205233.db2.gz WXVSCCCPDJYJNV-WKILWMFISA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001373951501 1341243909 /nfs/dbraw/zinc/24/39/09/1341243909.db2.gz VTYUQCIADRQDGD-UHFFFAOYSA-N 2 0 343.943 2.935 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCC1 ZINC001392011837 1355713419 /nfs/dbraw/zinc/71/34/19/1355713419.db2.gz ZDKRFRHNDLJAKC-OAHLLOKOSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001374424908 1341906779 /nfs/dbraw/zinc/90/67/79/1341906779.db2.gz FVEXWFRWTGCLNM-MRXNPFEDSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001375178739 1342494131 /nfs/dbraw/zinc/49/41/31/1342494131.db2.gz VVLFZNNRWPZJGC-IRXDYDNUSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928951 1345434455 /nfs/dbraw/zinc/43/44/55/1345434455.db2.gz SOOCDPHONYFBOD-DOTOQJQBSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001380269718 1347562687 /nfs/dbraw/zinc/56/26/87/1347562687.db2.gz OYVXBFQKSFDBJZ-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001380685585 1347812716 /nfs/dbraw/zinc/81/27/16/1347812716.db2.gz UGUWKSLUWLZZPF-YJBOKZPZSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001381262905 1348171515 /nfs/dbraw/zinc/17/15/15/1348171515.db2.gz SRZAOSDTTVOCHQ-OAHLLOKOSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001391303785 1355045534 /nfs/dbraw/zinc/04/55/34/1355045534.db2.gz BSHYFRJYMRIOIA-OAHLLOKOSA-N 2 0 346.862 2.837 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1sccc1C[NH+](C)C ZINC001391687886 1355435714 /nfs/dbraw/zinc/43/57/14/1355435714.db2.gz XCDSQFNEFWVDLE-ZDUSSCGKSA-N 2 0 329.897 2.660 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001392200681 1355857371 /nfs/dbraw/zinc/85/73/71/1355857371.db2.gz SDRCLAMVFFMIMK-UHFFFAOYSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001393155781 1356660967 /nfs/dbraw/zinc/66/09/67/1356660967.db2.gz FFSKSAGNSGCLPP-QGZVFWFLSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001394674140 1357991174 /nfs/dbraw/zinc/99/11/74/1357991174.db2.gz VJYTXIJFOBUEFC-HZPDHXFCSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001394705009 1358031085 /nfs/dbraw/zinc/03/10/85/1358031085.db2.gz YQOSJOCRWYRTOO-SJORKVTESA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001397168072 1359719924 /nfs/dbraw/zinc/71/99/24/1359719924.db2.gz GCNZTRKZJTWCKW-WBVHZDCISA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001398688724 1360718970 /nfs/dbraw/zinc/71/89/70/1360718970.db2.gz IHUYCZRMJSHZCQ-MRXNPFEDSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)CN(CCC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001399983729 1361636573 /nfs/dbraw/zinc/63/65/73/1361636573.db2.gz XTHVESVCLJIDRH-UHFFFAOYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001402052030 1363361453 /nfs/dbraw/zinc/36/14/53/1363361453.db2.gz JIXLEMRBEDVNFN-SFHVURJKSA-N 2 0 349.906 2.737 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001403503628 1364711588 /nfs/dbraw/zinc/71/15/88/1364711588.db2.gz GGZHFDPOPIIOLJ-QGZVFWFLSA-N 2 0 346.862 2.835 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001404512792 1365615067 /nfs/dbraw/zinc/61/50/67/1365615067.db2.gz SUCCBOCGCXPVTK-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CC ZINC001406799840 1368069953 /nfs/dbraw/zinc/06/99/53/1368069953.db2.gz ATXMMPZRPASOJN-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1CC ZINC001406799825 1368070359 /nfs/dbraw/zinc/07/03/59/1368070359.db2.gz ATXMMPZRPASOJN-DLBZAZTESA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001406999394 1368301566 /nfs/dbraw/zinc/30/15/66/1368301566.db2.gz JZIYVUGYNOQYBY-QGZVFWFLSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890805 1373378130 /nfs/dbraw/zinc/37/81/30/1373378130.db2.gz IBMCPPQGPGOJPG-IRXDYDNUSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001419228095 1374974574 /nfs/dbraw/zinc/97/45/74/1374974574.db2.gz WGTYUDHWBKBIGP-HNNXBMFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](CNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001419258135 1375004036 /nfs/dbraw/zinc/00/40/36/1375004036.db2.gz ZUXSCBYEASJNEU-AWEZNQCLSA-N 2 0 341.908 2.660 20 30 EFEDRP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001419845803 1375987360 /nfs/dbraw/zinc/98/73/60/1375987360.db2.gz VJODOJMVBYFQTB-UHFFFAOYSA-N 2 0 329.916 2.641 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001420893107 1377849852 /nfs/dbraw/zinc/84/98/52/1377849852.db2.gz OXDXSMMSLIRSES-MRXNPFEDSA-N 2 0 341.927 2.688 20 30 EFEDRP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438344436 1388522361 /nfs/dbraw/zinc/52/23/61/1388522361.db2.gz ZQNHDDINNRAJDE-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001420956345 1377937319 /nfs/dbraw/zinc/93/73/19/1377937319.db2.gz SYPOGQUFCMOGQE-KRWDZBQOSA-N 2 0 349.906 2.895 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001421721649 1379036433 /nfs/dbraw/zinc/03/64/33/1379036433.db2.gz OOGJRCACQIUXDW-MRXNPFEDSA-N 2 0 327.900 2.586 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001422247756 1379854158 /nfs/dbraw/zinc/85/41/58/1379854158.db2.gz WPPJUQKZNBNXHH-IRXDYDNUSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001422926621 1381071599 /nfs/dbraw/zinc/07/15/99/1381071599.db2.gz LNWNQLROAPGVJT-UHFFFAOYSA-N 2 0 329.916 2.640 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001423644072 1382214191 /nfs/dbraw/zinc/21/41/91/1382214191.db2.gz AQJQCJZTSDXXMG-IBGZPJMESA-N 2 0 349.906 2.943 20 30 EFEDRP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001424665377 1383240031 /nfs/dbraw/zinc/24/00/31/1383240031.db2.gz OUIDGENCJFNLJX-UHFFFAOYSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001425604527 1383710288 /nfs/dbraw/zinc/71/02/88/1383710288.db2.gz IIOGNZPBQRRLMN-OAHLLOKOSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001425875618 1383820951 /nfs/dbraw/zinc/82/09/51/1383820951.db2.gz JPLQOPIMEMUWRB-NVXWUHKLSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001440988353 1391006683 /nfs/dbraw/zinc/00/66/83/1391006683.db2.gz LISJRDGCYSWFDP-IAGOWNOFSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001441386914 1391276139 /nfs/dbraw/zinc/27/61/39/1391276139.db2.gz OAEDQUOCMFRSRF-MRXNPFEDSA-N 2 0 329.916 2.782 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001441523272 1391351053 /nfs/dbraw/zinc/35/10/53/1391351053.db2.gz NMGVFRWTFJVJBU-LBPRGKRZSA-N 2 0 329.897 2.612 20 30 EFEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001494204492 1399210626 /nfs/dbraw/zinc/21/06/26/1399210626.db2.gz AEIRBEMHGKHDAC-UHFFFAOYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001496885744 1401076415 /nfs/dbraw/zinc/07/64/15/1401076415.db2.gz DXNIKDOUKWHQHL-CVEARBPZSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001496885746 1401076668 /nfs/dbraw/zinc/07/66/68/1401076668.db2.gz DXNIKDOUKWHQHL-HOTGVXAUSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001496885751 1401077423 /nfs/dbraw/zinc/07/74/23/1401077423.db2.gz DXNIKDOUKWHQHL-JKSUJKDBSA-N 2 0 341.927 2.878 20 30 EFEDRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001497213693 1401222329 /nfs/dbraw/zinc/22/23/29/1401222329.db2.gz DOAUSKTWJGJBMX-CRAIPNDOSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505408688 1404566320 /nfs/dbraw/zinc/56/63/20/1404566320.db2.gz KTCWMWZVYWNZHB-QFBILLFUSA-N 2 0 339.499 2.746 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCCCC)CC1 ZINC001505411450 1404569103 /nfs/dbraw/zinc/56/91/03/1404569103.db2.gz DOOUOYLYWRBYKV-FQEVSTJZSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCCC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001717144102 1419235544 /nfs/dbraw/zinc/23/55/44/1419235544.db2.gz PVMQFBVADKXAEL-FQEVSTJZSA-N 2 0 343.515 2.967 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717358408 1419352936 /nfs/dbraw/zinc/35/29/36/1419352936.db2.gz XQKJDZWJOJGCPQ-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000969152443 712941975 /nfs/dbraw/zinc/94/19/75/712941975.db2.gz UAWHGSWHUCZTHB-CQSZACIVSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969834338 713275959 /nfs/dbraw/zinc/27/59/59/713275959.db2.gz XVBWMEFVNPDOJD-QFBILLFUSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039138251 713478494 /nfs/dbraw/zinc/47/84/94/713478494.db2.gz VBJKEXPGOHMMGN-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970214568 713559638 /nfs/dbraw/zinc/55/96/38/713559638.db2.gz SSPBWOPALTZVIA-QGZVFWFLSA-N 2 0 343.515 2.807 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001021089680 713562029 /nfs/dbraw/zinc/56/20/29/713562029.db2.gz HTDSXGBITYZPGR-MXVIHJGJSA-N 2 0 345.531 2.539 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC000980211772 717910500 /nfs/dbraw/zinc/91/05/00/717910500.db2.gz HORHQWBWOXCSQR-YESZJQIVSA-N 2 0 342.487 2.554 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947723519 717924027 /nfs/dbraw/zinc/92/40/27/717924027.db2.gz WGQZWVGEHGQBJD-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC000980224524 717924520 /nfs/dbraw/zinc/92/45/20/717924520.db2.gz ZYQCWJFLUPLOEB-XUVXKRRUSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622021 714191750 /nfs/dbraw/zinc/19/17/50/714191750.db2.gz GUKZNWKCCQHVBV-HKUYNNGSSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021634580 714212210 /nfs/dbraw/zinc/21/22/10/714212210.db2.gz CJZNTTXHSJIASA-VQIMIIECSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691662 714314973 /nfs/dbraw/zinc/31/49/73/714314973.db2.gz QMRMXVCTDVRCAD-PMACEKPBSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021691665 714316484 /nfs/dbraw/zinc/31/64/84/714316484.db2.gz QMRMXVCTDVRCAD-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021701246 714334768 /nfs/dbraw/zinc/33/47/68/714334768.db2.gz WORGIUBUYVCJPV-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021739996 714403819 /nfs/dbraw/zinc/40/38/19/714403819.db2.gz PXULICSVHINRQP-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000160682913 714415503 /nfs/dbraw/zinc/41/55/03/714415503.db2.gz VCJBFVDMYKFKKI-GFCCVEGCSA-N 2 0 330.354 2.652 20 30 EFEDRP C[NH+]1CCC(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160698043 714425605 /nfs/dbraw/zinc/42/56/05/714425605.db2.gz LVYOFCOIOYZZQE-UHFFFAOYSA-N 2 0 330.354 2.654 20 30 EFEDRP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134549940 714663674 /nfs/dbraw/zinc/66/36/74/714663674.db2.gz SWXDJNQLXWCTEZ-SWLSCSKDSA-N 2 0 326.847 2.785 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000104160953 715254346 /nfs/dbraw/zinc/25/43/46/715254346.db2.gz DQQKIJNLOVWTQX-INIZCTEOSA-N 2 0 334.464 2.551 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974947239 715369723 /nfs/dbraw/zinc/36/97/23/715369723.db2.gz NXWUDZYNEBJIQT-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCSCC1 ZINC000303984866 724441664 /nfs/dbraw/zinc/44/16/64/724441664.db2.gz SNUMWIMDQDASMG-UHFFFAOYSA-N 2 0 346.544 2.926 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023400325 716420917 /nfs/dbraw/zinc/42/09/17/716420917.db2.gz IHOQVSNNLCJFJY-HNNXBMFYSA-N 2 0 335.517 2.828 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568318 716634955 /nfs/dbraw/zinc/63/49/55/716634955.db2.gz KVBCZQLXZDRVTP-AEFFLSMTSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588840 716661432 /nfs/dbraw/zinc/66/14/32/716661432.db2.gz MYFDZYFIJMYCRB-IBGZPJMESA-N 2 0 343.515 2.809 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769962 716990443 /nfs/dbraw/zinc/99/04/43/716990443.db2.gz MLCNJXXDKNGPPB-KRWDZBQOSA-N 2 0 345.487 2.587 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704082 717129638 /nfs/dbraw/zinc/12/96/38/717129638.db2.gz NBSYGTGAIUXXPG-UYAOXDASSA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930351 717244707 /nfs/dbraw/zinc/24/47/07/717244707.db2.gz OAMRNNZNSVQWLI-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC000979781283 717426344 /nfs/dbraw/zinc/42/63/44/717426344.db2.gz YMCAJWYNQVJZDW-BHYGNILZSA-N 2 0 347.528 2.826 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000979975555 717629991 /nfs/dbraw/zinc/62/99/91/717629991.db2.gz BPTAQEJGAMFXLZ-OTWHNJEPSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC000980002401 717654721 /nfs/dbraw/zinc/65/47/21/717654721.db2.gz QPIDUQUIHOPJAJ-IPMKNSEASA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985480607 724462570 /nfs/dbraw/zinc/46/25/70/724462570.db2.gz JJYBXHQDAGTPJI-OAHLLOKOSA-N 2 0 327.900 2.536 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC000980083322 717728879 /nfs/dbraw/zinc/72/88/79/717728879.db2.gz IBPZLAIHCIDUTO-BBWFWOEESA-N 2 0 338.455 2.659 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440076 717738203 /nfs/dbraw/zinc/73/82/03/717738203.db2.gz KGGCKAMLXQADEK-ICSRJNTNSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC001024469110 717775433 /nfs/dbraw/zinc/77/54/33/717775433.db2.gz UXIAUSBGHOGLSV-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980141511 717786623 /nfs/dbraw/zinc/78/66/23/717786623.db2.gz BLQWXPBQLQKUGL-OKZBNKHCSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478112 717790533 /nfs/dbraw/zinc/79/05/33/717790533.db2.gz QUTUELUSOSLGCS-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001024488409 717811112 /nfs/dbraw/zinc/81/11/12/717811112.db2.gz YIDQOTUCUSKDBY-PMACEKPBSA-N 2 0 343.515 2.555 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980155188 717811755 /nfs/dbraw/zinc/81/17/55/717811755.db2.gz IAAYVOQKKUBYHX-JQHSSLGASA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502362 717830703 /nfs/dbraw/zinc/83/07/03/717830703.db2.gz MFXBTMYSHSXVPI-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980187966 717876843 /nfs/dbraw/zinc/87/68/43/717876843.db2.gz KWKZOGUOGWTGLL-IPMKNSEASA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC001027913909 718071645 /nfs/dbraw/zinc/07/16/45/718071645.db2.gz PPISMUUTAKEBRC-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000981181457 718171821 /nfs/dbraw/zinc/17/18/21/718171821.db2.gz LCHAKOUXAVISQS-JKSUJKDBSA-N 2 0 326.444 2.849 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814046 718174446 /nfs/dbraw/zinc/17/44/46/718174446.db2.gz NIRHLXIWNWJKOD-SFHVURJKSA-N 2 0 329.488 2.909 20 30 EFEDRP CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024817901 718178998 /nfs/dbraw/zinc/17/89/98/718178998.db2.gz ARXPWQINSOUEKW-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001025251855 718472796 /nfs/dbraw/zinc/47/27/96/718472796.db2.gz LKMWYBAXBQQECC-MOPGFXCFSA-N 2 0 338.455 2.979 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258822 718475199 /nfs/dbraw/zinc/47/51/99/718475199.db2.gz JIZLOWIBGGIYAO-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253547 718479297 /nfs/dbraw/zinc/47/92/97/718479297.db2.gz WABYMQVSFIUSMD-MSOLQXFVSA-N 2 0 344.503 2.774 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025267299 718487490 /nfs/dbraw/zinc/48/74/90/718487490.db2.gz OBMNWTHOQGXQIC-RTBURBONSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260580 718488024 /nfs/dbraw/zinc/48/80/24/718488024.db2.gz YNDCDUYOSJPVOX-MOPGFXCFSA-N 2 0 345.531 2.730 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260709 718488612 /nfs/dbraw/zinc/48/86/12/718488612.db2.gz YWJBBGAZVWISGM-OALUTQOASA-N 2 0 345.531 2.730 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279640 718517461 /nfs/dbraw/zinc/51/74/61/718517461.db2.gz FOYPBIXFQPYNOU-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300764 718546870 /nfs/dbraw/zinc/54/68/70/718546870.db2.gz FCYPRTKDOKOZGN-MOPGFXCFSA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000981296053 718601704 /nfs/dbraw/zinc/60/17/04/718601704.db2.gz DRVVZPAIGVNWMJ-CABCVRRESA-N 2 0 339.867 2.724 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001029917001 724522200 /nfs/dbraw/zinc/52/22/00/724522200.db2.gz GADMUDQCGVROON-UXHICEINSA-N 2 0 341.499 2.760 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000981381897 718670008 /nfs/dbraw/zinc/67/00/08/718670008.db2.gz KBGIHUYOJNEZMP-OALUTQOASA-N 2 0 329.488 2.955 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434621 718712113 /nfs/dbraw/zinc/71/21/13/718712113.db2.gz VYVVZIPLTMVEBJ-IAGOWNOFSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000981463293 718738049 /nfs/dbraw/zinc/73/80/49/718738049.db2.gz GCFZAXHHLIPXQJ-KBPBESRZSA-N 2 0 336.867 2.531 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000981546695 718814789 /nfs/dbraw/zinc/81/47/89/718814789.db2.gz WDORINYVBTZCRF-HZPDHXFCSA-N 2 0 333.476 2.938 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433290 718837048 /nfs/dbraw/zinc/83/70/48/718837048.db2.gz MFPFXTGAUMGVEU-HZPDHXFCSA-N 2 0 347.528 2.663 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469453 718952182 /nfs/dbraw/zinc/95/21/82/718952182.db2.gz PHIXOXIPONGTAM-HZPDHXFCSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025473210 718959468 /nfs/dbraw/zinc/95/94/68/718959468.db2.gz ARSGFRYAPXEJCZ-WBVHZDCISA-N 2 0 326.444 2.741 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492937 719021406 /nfs/dbraw/zinc/02/14/06/719021406.db2.gz HFWCNDFKDQDZJR-HKUYNNGSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000981778354 719027422 /nfs/dbraw/zinc/02/74/22/719027422.db2.gz IWMPMTGBAQGLII-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000981810676 719071016 /nfs/dbraw/zinc/07/10/16/719071016.db2.gz XDTWRZRLIVMHOD-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981842808 719120738 /nfs/dbraw/zinc/12/07/38/719120738.db2.gz MLDVHBSFWVCWTA-OALUTQOASA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842807 719120944 /nfs/dbraw/zinc/12/09/44/719120944.db2.gz MLDVHBSFWVCWTA-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557354 719124004 /nfs/dbraw/zinc/12/40/04/719124004.db2.gz GUCYBZOZDFNFNC-PXNSSMCTSA-N 2 0 341.499 2.602 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558337 719125196 /nfs/dbraw/zinc/12/51/96/719125196.db2.gz MIWOMPGDENZIJO-YLJYHZDGSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560041 719130882 /nfs/dbraw/zinc/13/08/82/719130882.db2.gz ZKBSQEKQVJLNBQ-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000981865182 719143347 /nfs/dbraw/zinc/14/33/47/719143347.db2.gz NRYOWYIWSWAHER-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583852 719165397 /nfs/dbraw/zinc/16/53/97/719165397.db2.gz CBGCYURIUPMXOX-HKUYNNGSSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)CN1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893809 719167259 /nfs/dbraw/zinc/16/72/59/719167259.db2.gz OCYCHFZIEPQYRC-UHFFFAOYSA-N 2 0 344.846 2.625 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628684 719251532 /nfs/dbraw/zinc/25/15/32/719251532.db2.gz TYYJOLZRVQMLLJ-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629680 719254319 /nfs/dbraw/zinc/25/43/19/719254319.db2.gz IQBRSLFRUBGVRA-QUCCMNQESA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062639 719516578 /nfs/dbraw/zinc/51/65/78/719516578.db2.gz APEHLYYSBUZCSE-MOPGFXCFSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982084739 719527505 /nfs/dbraw/zinc/52/75/05/719527505.db2.gz PCDCCEMZFDIAKO-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071192 719534866 /nfs/dbraw/zinc/53/48/66/719534866.db2.gz BORGAKUFXVEQME-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)C2)C1 ZINC000982114720 719572277 /nfs/dbraw/zinc/57/22/77/719572277.db2.gz FRCAMUVPZDQQQY-HXUWFJFHSA-N 2 0 341.499 2.574 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC000982159361 719618212 /nfs/dbraw/zinc/61/82/12/719618212.db2.gz FRUVZEHUTTUKAC-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985558991 724605838 /nfs/dbraw/zinc/60/58/38/724605838.db2.gz QAJATORXJBJLCN-QGZVFWFLSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000985559839 724606590 /nfs/dbraw/zinc/60/65/90/724606590.db2.gz YSTIWMHAIUFWGA-UHFFFAOYSA-N 2 0 343.515 2.903 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@@]2(C)C1 ZINC000982279895 719792286 /nfs/dbraw/zinc/79/22/86/719792286.db2.gz LWZYAQRWGHWRMX-JYAXBFRTSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295267 719835754 /nfs/dbraw/zinc/83/57/54/719835754.db2.gz PDTNAUUAJWPQGE-NRSPTQNISA-N 2 0 347.547 2.711 20 30 EFEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296381 719837466 /nfs/dbraw/zinc/83/74/66/719837466.db2.gz RLSDEFDZJMGYTN-SESVDKBCSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1 ZINC000982343934 719946820 /nfs/dbraw/zinc/94/68/20/719946820.db2.gz LYHWJZMIBHGFAU-BGYRXZFFSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947362248 719999612 /nfs/dbraw/zinc/99/96/12/719999612.db2.gz VNRWPBNTDFIIQP-HOCLYGCPSA-N 2 0 335.517 2.969 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]12 ZINC001026278237 720114602 /nfs/dbraw/zinc/11/46/02/720114602.db2.gz WDTOQQLNOXNGRN-HYVNUMGLSA-N 2 0 347.528 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001026391010 720468919 /nfs/dbraw/zinc/46/89/19/720468919.db2.gz AJYHEEBOTQXGOO-IPMKNSEASA-N 2 0 333.520 2.510 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001026397554 720485082 /nfs/dbraw/zinc/48/50/82/720485082.db2.gz FUYNBXYTCVJSCG-HSALFYBXSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986469040 724691979 /nfs/dbraw/zinc/69/19/79/724691979.db2.gz YMNXOZWMSJHXAH-CZUORRHYSA-N 2 0 332.835 2.588 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000985594472 724694279 /nfs/dbraw/zinc/69/42/79/724694279.db2.gz UWQIILSRTWJISB-LJQANCHMSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001026519758 720703067 /nfs/dbraw/zinc/70/30/67/720703067.db2.gz UEPWJGBFLSOGHW-JCYILVPMSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001026547604 720731483 /nfs/dbraw/zinc/73/14/83/720731483.db2.gz RYRCILVMDGJMLY-KLAILNCOSA-N 2 0 341.927 2.878 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000894146372 720915980 /nfs/dbraw/zinc/91/59/80/720915980.db2.gz VKCPCYZJTXLEAP-LJQANCHMSA-N 2 0 346.906 2.864 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541878 720983406 /nfs/dbraw/zinc/98/34/06/720983406.db2.gz GSGBEOIFUAJIFA-QZTJIDSGSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@]2(C)C1 ZINC000982724977 721131522 /nfs/dbraw/zinc/13/15/22/721131522.db2.gz HUSASABKNCQBOB-SESVDKBCSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974600070 721199320 /nfs/dbraw/zinc/19/93/20/721199320.db2.gz GECKAVXCYGYKDA-SJLPKXTDSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982833326 721307695 /nfs/dbraw/zinc/30/76/95/721307695.db2.gz IMKRZUUMOJUQAI-NRSPTQNISA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000985645675 724750060 /nfs/dbraw/zinc/75/00/60/724750060.db2.gz BNZCVZNVSLRGKB-UHFFFAOYSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974757321 721393018 /nfs/dbraw/zinc/39/30/18/721393018.db2.gz HQGZZDPHPYFDLO-MSOLQXFVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001028919447 722097082 /nfs/dbraw/zinc/09/70/82/722097082.db2.gz XJUQRWOPEITJPA-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000939148068 728772324 /nfs/dbraw/zinc/77/23/24/728772324.db2.gz RHEWQCANTLSVSO-KSSFIOAISA-N 2 0 349.906 2.593 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067476 728897945 /nfs/dbraw/zinc/89/79/45/728897945.db2.gz XGITUYJSZSCCCR-AEFFLSMTSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985745828 724850654 /nfs/dbraw/zinc/85/06/54/724850654.db2.gz IHMZKLAEIPBJFH-HXUWFJFHSA-N 2 0 329.488 2.572 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985752043 724857468 /nfs/dbraw/zinc/85/74/68/724857468.db2.gz QUSYAJRYWDCTNQ-RDJZCZTQSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948067688 728938414 /nfs/dbraw/zinc/93/84/14/728938414.db2.gz YWHMETGZULPFLV-AEFFLSMTSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948067689 728938956 /nfs/dbraw/zinc/93/89/56/728938956.db2.gz YWHMETGZULPFLV-FUHWJXTLSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992017335 725466105 /nfs/dbraw/zinc/46/61/05/725466105.db2.gz ZNEWJOWSSNCGCC-WSTZPKSXSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000987187322 725568916 /nfs/dbraw/zinc/56/89/16/725568916.db2.gz AZEHFPUSCLLHKS-PBHICJAKSA-N 2 0 335.879 2.693 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC000992292920 725684290 /nfs/dbraw/zinc/68/42/90/725684290.db2.gz DTGHQNUNHMOBKP-NLWGTHIKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@H]12 ZINC000992306973 725698176 /nfs/dbraw/zinc/69/81/76/725698176.db2.gz WFRILHNDYHZTQO-CMKODMSKSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992364473 725747421 /nfs/dbraw/zinc/74/74/21/725747421.db2.gz ARXOZBQOWKVVAM-ICSRJNTNSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987551437 725748192 /nfs/dbraw/zinc/74/81/92/725748192.db2.gz OCOALCAAWQXQGP-YOEHRIQHSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC000992860602 726309922 /nfs/dbraw/zinc/30/99/22/726309922.db2.gz OANKJQYPWHEJLG-GUDVDZBRSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001040756502 726411331 /nfs/dbraw/zinc/41/13/31/726411331.db2.gz CORBVHHKYWWDNC-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993498551 727284008 /nfs/dbraw/zinc/28/40/08/727284008.db2.gz FYBWOUUHEGIBCZ-YJBOKZPZSA-N 2 0 326.444 2.802 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993804545 727526698 /nfs/dbraw/zinc/52/66/98/727526698.db2.gz LCOZKFJLICEJMP-XLIONFOSSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994012638 727580172 /nfs/dbraw/zinc/58/01/72/727580172.db2.gz VWOMLYFCWICMIV-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994471553 727762592 /nfs/dbraw/zinc/76/25/92/727762592.db2.gz LGFOVAHEIDDLTM-WBVHZDCISA-N 2 0 333.476 2.890 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC000994469454 727762718 /nfs/dbraw/zinc/76/27/18/727762718.db2.gz JIKXNVRTZZXMKU-SJLPKXTDSA-N 2 0 345.487 2.727 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994503335 727772986 /nfs/dbraw/zinc/77/29/86/727772986.db2.gz VHXDRASYZLPVDV-APWZRJJASA-N 2 0 329.488 2.907 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098904 728300524 /nfs/dbraw/zinc/30/05/24/728300524.db2.gz CNPZIEKGXFQLCO-ZBFHGGJFSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765622 728364503 /nfs/dbraw/zinc/36/45/03/728364503.db2.gz ABEYDTXPJJBEID-QFBILLFUSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000948765625 728364520 /nfs/dbraw/zinc/36/45/20/728364520.db2.gz ABEYDTXPJJBEID-VQIMIIECSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205688 728366100 /nfs/dbraw/zinc/36/61/00/728366100.db2.gz VQLVWXJAVRFECW-KSSFIOAISA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205682 728366122 /nfs/dbraw/zinc/36/61/22/728366122.db2.gz VQKHLFUXMBQXIM-KBXCAEBGSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205683 728366206 /nfs/dbraw/zinc/36/62/06/728366206.db2.gz VQKHLFUXMBQXIM-KDOFPFPSSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000948435464 728417930 /nfs/dbraw/zinc/41/79/30/728417930.db2.gz LTUIDDHQLJNPPW-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001574867010 1088130951 /nfs/dbraw/zinc/13/09/51/1088130951.db2.gz NNOJBNSAPLWFMJ-SJORKVTESA-N 2 0 346.523 2.589 20 30 EFEDRP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001574867007 1088131176 /nfs/dbraw/zinc/13/11/76/1088131176.db2.gz NNOJBNSAPLWFMJ-IRXDYDNUSA-N 2 0 346.523 2.589 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC001574892411 1088140869 /nfs/dbraw/zinc/14/08/69/1088140869.db2.gz CSITVFMKWQUNLP-FBBABVLZSA-N 2 0 341.499 2.569 20 30 EFEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC001574892414 1088142704 /nfs/dbraw/zinc/14/27/04/1088142704.db2.gz CSITVFMKWQUNLP-YFVAEKQCSA-N 2 0 341.499 2.569 20 30 EFEDRP C=CC[C@]1(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCC[NH2+]1 ZINC001574897208 1088144038 /nfs/dbraw/zinc/14/40/38/1088144038.db2.gz IBAGXJNSQMXGLE-HXUWFJFHSA-N 2 0 327.472 2.960 20 30 EFEDRP CC(C)[C@@H]1[NH2+]CC12CC[NH+](Cc1cc(C#N)ccc1N(C)C)CC2 ZINC001575522170 1088532194 /nfs/dbraw/zinc/53/21/94/1088532194.db2.gz IPTBLMZWIIDHQF-IBGZPJMESA-N 2 0 326.488 2.834 20 30 EFEDRP COC(=O)c1cccc(C[NH+]2CCC3(CCC[C@@H]3C[NH3+])CC2)c1C#N ZINC001578874709 1090461262 /nfs/dbraw/zinc/46/12/62/1090461262.db2.gz IBSKLUJTQRKPBX-MRXNPFEDSA-N 2 0 341.455 2.686 20 30 EFEDRP N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001580036026 1090750106 /nfs/dbraw/zinc/75/01/06/1090750106.db2.gz MBEHFMKBIWBKPQ-BMGDILEWSA-N 2 0 332.879 2.650 20 30 EFEDRP N#CC[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC001580045995 1090753078 /nfs/dbraw/zinc/75/30/78/1090753078.db2.gz YSSILGYTJRKYCZ-KRWDZBQOSA-N 2 0 349.438 2.517 20 30 EFEDRP N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3[C@@H]4C[NH2+]C[C@H]34)c2)c1 ZINC001580076478 1090765116 /nfs/dbraw/zinc/76/51/16/1090765116.db2.gz YFWFEMSONXRHQO-MZADTFQBSA-N 2 0 333.435 2.692 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075449681 1092861734 /nfs/dbraw/zinc/86/17/34/1092861734.db2.gz PAVRAVLNSIVNLV-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075453773 1093037906 /nfs/dbraw/zinc/03/79/06/1093037906.db2.gz AUAHHBWXJGSXIW-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001075454285 1093047182 /nfs/dbraw/zinc/04/71/82/1093047182.db2.gz PKSXZBCXMSQFNB-QWFCFKBJSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001075458541 1093229484 /nfs/dbraw/zinc/22/94/84/1093229484.db2.gz JFYUSPUMSQQDBZ-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461325 1093315506 /nfs/dbraw/zinc/31/55/06/1093315506.db2.gz CRIPNYQTSGJLSC-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001075461462 1093319431 /nfs/dbraw/zinc/31/94/31/1093319431.db2.gz HVELORPUXYXSHE-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001211623580 1094394176 /nfs/dbraw/zinc/39/41/76/1094394176.db2.gz MCZDTCPXGZHWLD-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001167710391 1094400483 /nfs/dbraw/zinc/40/04/83/1094400483.db2.gz JHAUGYFESZGOLH-IBGZPJMESA-N 2 0 341.499 2.579 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001112518523 1094587690 /nfs/dbraw/zinc/58/76/90/1094587690.db2.gz NLRNGVJJBHPUGV-LQWHRVPQSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683870 1094631897 /nfs/dbraw/zinc/63/18/97/1094631897.db2.gz RBMRJFIIJXGGJQ-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530520 1094880412 /nfs/dbraw/zinc/88/04/12/1094880412.db2.gz YGIONYNDVNMDLD-RXVVDRJESA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3nccn32)C12CCC2 ZINC001203161191 1095011087 /nfs/dbraw/zinc/01/10/87/1095011087.db2.gz PUBMWWYRPSFKLW-IAGOWNOFSA-N 2 0 338.455 2.931 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421022 1095119054 /nfs/dbraw/zinc/11/90/54/1095119054.db2.gz YSTNHPOYDSPNCW-LSDHHAIUSA-N 2 0 341.927 2.734 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306278 1095191846 /nfs/dbraw/zinc/19/18/46/1095191846.db2.gz GWVXAZAXRYUFLZ-NZSAHSFTSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C(C)(C)[C@@H]21 ZINC001087309885 1095240063 /nfs/dbraw/zinc/24/00/63/1095240063.db2.gz NIYJQQFHDDMZEJ-BHIYHBOVSA-N 2 0 333.520 2.510 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311793 1095253303 /nfs/dbraw/zinc/25/33/03/1095253303.db2.gz URUGWKUZXGPZAQ-QYZOEREBSA-N 2 0 347.547 2.898 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087311791 1095254131 /nfs/dbraw/zinc/25/41/31/1095254131.db2.gz URUGWKUZXGPZAQ-GUDVDZBRSA-N 2 0 347.547 2.898 20 30 EFEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167833972 1095285951 /nfs/dbraw/zinc/28/59/51/1095285951.db2.gz GUJCKOUFKDNAQK-SJORKVTESA-N 2 0 325.497 2.874 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981914392 1095617960 /nfs/dbraw/zinc/61/79/60/1095617960.db2.gz JNXPDAGEGPJYON-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753456 1095672525 /nfs/dbraw/zinc/67/25/25/1095672525.db2.gz BRFZMLPKTKSBBB-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001087437399 1096021262 /nfs/dbraw/zinc/02/12/62/1096021262.db2.gz PUCHTRYXGHVLIC-DFQSSKMNSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711379 1096251468 /nfs/dbraw/zinc/25/14/68/1096251468.db2.gz GWRGTZGZXYWPRR-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001481940457 1096971540 /nfs/dbraw/zinc/97/15/40/1096971540.db2.gz IAGNHUALAJAWQD-QGZVFWFLSA-N 2 0 329.916 2.591 20 30 EFEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)C[C@H]1C ZINC001104896541 1098934724 /nfs/dbraw/zinc/93/47/24/1098934724.db2.gz DMENPOWOFTYGRC-WOJBJXKFSA-N 2 0 349.563 2.986 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524287 1099232928 /nfs/dbraw/zinc/23/29/28/1099232928.db2.gz GGDCBJVNYROZKS-JZXOWHBKSA-N 2 0 341.927 2.543 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742710 1099506885 /nfs/dbraw/zinc/50/68/85/1099506885.db2.gz UNCSRBROZCMALH-MSOLQXFVSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062470 1099526255 /nfs/dbraw/zinc/52/62/55/1099526255.db2.gz SHOKFGZPXMVZCU-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067391 1099542194 /nfs/dbraw/zinc/54/21/94/1099542194.db2.gz YPPAYMJQQZIWPV-QRVBRYPASA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087422901 1099707887 /nfs/dbraw/zinc/70/78/87/1099707887.db2.gz AOROWLRZBIDCPH-VAMGGRTRSA-N 2 0 341.499 2.631 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087423058 1099712605 /nfs/dbraw/zinc/71/26/05/1099712605.db2.gz INRFGZAVEBODDA-VAMGGRTRSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105393619 1100268791 /nfs/dbraw/zinc/26/87/91/1100268791.db2.gz CXCMEWOQDKPFKN-GOSISDBHSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105393620 1100269307 /nfs/dbraw/zinc/26/93/07/1100269307.db2.gz CXCMEWOQDKPFKN-SFHVURJKSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001105395792 1100558919 /nfs/dbraw/zinc/55/89/19/1100558919.db2.gz FMDKYJZKNCUDOP-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598518 1100578207 /nfs/dbraw/zinc/57/82/07/1100578207.db2.gz MQMITUMMIHBEQA-CEXWTWQISA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671871 1100652720 /nfs/dbraw/zinc/65/27/20/1100652720.db2.gz UJVZWYILFACFLL-IPMKNSEASA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982467 1101117574 /nfs/dbraw/zinc/11/75/74/1101117574.db2.gz IDUQKFKZAZZUOH-WBVHZDCISA-N 2 0 347.528 2.780 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001482477895 1101142176 /nfs/dbraw/zinc/14/21/76/1101142176.db2.gz DLIGSDSEHCWZKZ-NVXWUHKLSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001087994088 1101163895 /nfs/dbraw/zinc/16/38/95/1101163895.db2.gz QMYGMIRLKXZXGS-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087994056 1101164600 /nfs/dbraw/zinc/16/46/00/1101164600.db2.gz PJQXYYUDVFSDGA-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@@H]2C1 ZINC001088078524 1101386771 /nfs/dbraw/zinc/38/67/71/1101386771.db2.gz KXWMQAHMPIWPKO-WSTZPKSXSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208603552 1101398353 /nfs/dbraw/zinc/39/83/53/1101398353.db2.gz DJDJHRWBAWOSKC-GOSISDBHSA-N 2 0 349.519 2.829 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681396 1101560373 /nfs/dbraw/zinc/56/03/73/1101560373.db2.gz GVOVWDYACRNVDM-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681393 1101560599 /nfs/dbraw/zinc/56/05/99/1101560599.db2.gz GVOVWDYACRNVDM-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426593 1101583422 /nfs/dbraw/zinc/58/34/22/1101583422.db2.gz UVBMWBCFBRSKJY-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167426590 1101584321 /nfs/dbraw/zinc/58/43/21/1101584321.db2.gz UVBMWBCFBRSKJY-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167426615 1101585519 /nfs/dbraw/zinc/58/55/19/1101585519.db2.gz VNORCZFTNAEWPA-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088129506 1101623551 /nfs/dbraw/zinc/62/35/51/1101623551.db2.gz QYZJUFKNZBMJQD-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001088142147 1101663260 /nfs/dbraw/zinc/66/32/60/1101663260.db2.gz VBTFZWNFHHDPID-UXHICEINSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167437983 1101737862 /nfs/dbraw/zinc/73/78/62/1101737862.db2.gz LCYBYJOGGXCNCY-HZPDHXFCSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212602 1101891237 /nfs/dbraw/zinc/89/12/37/1101891237.db2.gz CDAKGPCRWOBSJB-AABGKKOBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460887 1102034190 /nfs/dbraw/zinc/03/41/90/1102034190.db2.gz SZMSHKRBJRAVFO-UHFFFAOYSA-N 2 0 349.906 2.990 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492772 1102266293 /nfs/dbraw/zinc/26/62/93/1102266293.db2.gz FHZCSWVKWDTURU-RHSMWYFYSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001112491388 1102754572 /nfs/dbraw/zinc/75/45/72/1102754572.db2.gz UCRMSJAJWWJSQR-ZJOUEHCJSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001104388024 1102780524 /nfs/dbraw/zinc/78/05/24/1102780524.db2.gz AMQFCTSSAGXOSN-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001088333594 1102968812 /nfs/dbraw/zinc/96/88/12/1102968812.db2.gz NCPFZVWFAVNJHM-SFHVURJKSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001088352993 1103122999 /nfs/dbraw/zinc/12/29/99/1103122999.db2.gz OCOFIOKTPNBIRU-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001088359236 1103185206 /nfs/dbraw/zinc/18/52/06/1103185206.db2.gz UUMSPZPTMCGQDI-MRXNPFEDSA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001088369635 1103202953 /nfs/dbraw/zinc/20/29/53/1103202953.db2.gz OREGXGALDQLEQO-ULQDDVLXSA-N 2 0 341.927 2.830 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001088381329 1103336260 /nfs/dbraw/zinc/33/62/60/1103336260.db2.gz BVIDTMAMAGAKCC-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001088404778 1103459791 /nfs/dbraw/zinc/45/97/91/1103459791.db2.gz GHHJXNPJYBSDRQ-QGZVFWFLSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430568 1103580288 /nfs/dbraw/zinc/58/02/88/1103580288.db2.gz SKYCWKWCHWNTAC-QGZVFWFLSA-N 2 0 341.927 2.976 20 30 EFEDRP C=CCN1C(=O)CCC12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378374 1104117579 /nfs/dbraw/zinc/11/75/79/1104117579.db2.gz MYTGKYZDXIDSGV-UHFFFAOYSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378849 1104127789 /nfs/dbraw/zinc/12/77/89/1104127789.db2.gz XDZRSSTXPNZQIC-OAQYLSRUSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168379703 1104131592 /nfs/dbraw/zinc/13/15/92/1104131592.db2.gz ODFWQGAPNXNVDK-UXHICEINSA-N 2 0 334.504 2.687 20 30 EFEDRP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001665001286 1104610669 /nfs/dbraw/zinc/61/06/69/1104610669.db2.gz TVJJHBDEHYPGTD-QZTJIDSGSA-N 2 0 344.503 2.773 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989074039 1105475878 /nfs/dbraw/zinc/47/58/78/1105475878.db2.gz IUGPSYOPJCPUDE-GXTWGEPZSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622089 1105523225 /nfs/dbraw/zinc/52/32/25/1105523225.db2.gz GTGKZJHZNFZQEE-PVAVHDDUSA-N 2 0 339.911 2.725 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C ZINC001088631647 1105588792 /nfs/dbraw/zinc/58/87/92/1105588792.db2.gz XVLHGXPTFSQMCC-HOJAQTOUSA-N 2 0 343.515 2.554 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001040230259 1105684562 /nfs/dbraw/zinc/68/45/62/1105684562.db2.gz ANPDAOJVFKGGMX-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001105536926 1105905733 /nfs/dbraw/zinc/90/57/33/1105905733.db2.gz KUFAEEUSUZBTRM-RTBURBONSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001105544638 1105922346 /nfs/dbraw/zinc/92/23/46/1105922346.db2.gz OYKCUYOOGRQIQY-RBUKOAKNSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105564222 1105934384 /nfs/dbraw/zinc/93/43/84/1105934384.db2.gz XZDBNVMOSYWDDG-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001105575068 1105961710 /nfs/dbraw/zinc/96/17/10/1105961710.db2.gz QHWXGZYALGSRTI-SFHVURJKSA-N 2 0 345.531 2.799 20 30 EFEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319776 1106688275 /nfs/dbraw/zinc/68/82/75/1106688275.db2.gz XXWICLPRTWJIFF-TUNPWDSISA-N 2 0 336.520 2.933 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001168320692 1106714662 /nfs/dbraw/zinc/71/46/62/1106714662.db2.gz KZBFHWCJGWCSJQ-UHFFFAOYSA-N 2 0 349.906 2.990 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCCCC)CC2)CC1 ZINC001168320696 1106714673 /nfs/dbraw/zinc/71/46/73/1106714673.db2.gz LFXIJFXLYBYCTJ-UHFFFAOYSA-N 2 0 347.547 2.788 20 30 EFEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCC([NH+](C)C)CC1)CCO2 ZINC001168323154 1106729327 /nfs/dbraw/zinc/72/93/27/1106729327.db2.gz SGGMJCFPHMMVEQ-DCCYDQLOSA-N 2 0 336.520 2.933 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860521 1106750692 /nfs/dbraw/zinc/75/06/92/1106750692.db2.gz PGYWGEREXWONQA-JTDSTZFVSA-N 2 0 339.499 2.744 20 30 EFEDRP C[NH+]=C(NCC1CCSCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000086917082 1106758201 /nfs/dbraw/zinc/75/82/01/1106758201.db2.gz OKNZZQRVJSXNRJ-QGZVFWFLSA-N 2 0 338.565 2.513 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168327091 1106874303 /nfs/dbraw/zinc/87/43/03/1106874303.db2.gz PLHWFIPMOFKQAJ-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001099131234 1107912447 /nfs/dbraw/zinc/91/24/47/1107912447.db2.gz YORLDUWTZYIWJJ-GOSISDBHSA-N 2 0 347.547 2.879 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001106133499 1108541839 /nfs/dbraw/zinc/54/18/39/1108541839.db2.gz JZTDAKXIKAWCPF-CEXWTWQISA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329924 1109296129 /nfs/dbraw/zinc/29/61/29/1109296129.db2.gz XVMYMNBIRLAMNP-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418891 1109822011 /nfs/dbraw/zinc/82/20/11/1109822011.db2.gz UTFZESWZTKQGLK-RBUKOAKNSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001106195559 1111087267 /nfs/dbraw/zinc/08/72/67/1111087267.db2.gz APUAVENPGKTWIL-GDBMZVCRSA-N 2 0 335.517 2.684 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249238 1111218661 /nfs/dbraw/zinc/21/86/61/1111218661.db2.gz DHLRHYLKMCGLBT-OIISXLGYSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106249636 1111219425 /nfs/dbraw/zinc/21/94/25/1111219425.db2.gz LSFYUABRKKBAEL-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001106346785 1111441297 /nfs/dbraw/zinc/44/12/97/1111441297.db2.gz SROIGLFUUOPVFN-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001106354380 1111449542 /nfs/dbraw/zinc/44/95/42/1111449542.db2.gz XUCMHPHQQSUMIG-IUODEOHRSA-N 2 0 346.862 2.693 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357935 1111455094 /nfs/dbraw/zinc/45/50/94/1111455094.db2.gz QIIWREDVGRJVJS-GUDVDZBRSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106432540 1111522664 /nfs/dbraw/zinc/52/26/64/1111522664.db2.gz WWIVMFCIGPYUMY-NVXWUHKLSA-N 2 0 326.444 2.598 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001106431961 1111526016 /nfs/dbraw/zinc/52/60/16/1111526016.db2.gz NWNKFRBIOFAZCP-JFIYKMOQSA-N 2 0 340.471 2.987 20 30 EFEDRP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229210 1111563437 /nfs/dbraw/zinc/56/34/37/1111563437.db2.gz HRIRHULITQGTIT-QZTJIDSGSA-N 2 0 335.536 2.737 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001106477420 1111568087 /nfs/dbraw/zinc/56/80/87/1111568087.db2.gz LSFFPFXZLSRIAV-QRQLOZEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588140 1111650269 /nfs/dbraw/zinc/65/02/69/1111650269.db2.gz HCVKJSXPYGZNAN-NVXWUHKLSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001106728776 1111770587 /nfs/dbraw/zinc/77/05/87/1111770587.db2.gz QNPPHFBRRISFFT-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001106778305 1111825569 /nfs/dbraw/zinc/82/55/69/1111825569.db2.gz GCBPLXPDSKWADI-OIISXLGYSA-N 2 0 343.943 2.789 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106784984 1111831543 /nfs/dbraw/zinc/83/15/43/1111831543.db2.gz RHYZUHSXZNNVKG-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106860020 1111917441 /nfs/dbraw/zinc/91/74/41/1111917441.db2.gz FMWPCMLHHZYSSO-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310450 1112008636 /nfs/dbraw/zinc/00/86/36/1112008636.db2.gz MTOQWYQPCDQTHM-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386651 1112048159 /nfs/dbraw/zinc/04/81/59/1112048159.db2.gz RXVNZAOMNLDXLE-OALUTQOASA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386068 1112049561 /nfs/dbraw/zinc/04/95/61/1112049561.db2.gz MKPVWUNSFWZNKJ-QZTJIDSGSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402427 1112072969 /nfs/dbraw/zinc/07/29/69/1112072969.db2.gz GRPDNMQYGIAAMR-QZTJIDSGSA-N 2 0 335.536 2.757 20 30 EFEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089407241 1112079797 /nfs/dbraw/zinc/07/97/97/1112079797.db2.gz XIIYWNFJVWZICO-RTBURBONSA-N 2 0 347.547 2.879 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)CC(C)(C)C1 ZINC001089423357 1112107484 /nfs/dbraw/zinc/10/74/84/1112107484.db2.gz ILILBRUQIYKFRA-SJORKVTESA-N 2 0 344.503 2.628 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089441636 1112149719 /nfs/dbraw/zinc/14/97/19/1112149719.db2.gz JGYGVOYCCJMMQN-QGZVFWFLSA-N 2 0 338.455 2.578 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089442736 1112149763 /nfs/dbraw/zinc/14/97/63/1112149763.db2.gz RUICOFMZBIROCW-KRWDZBQOSA-N 2 0 332.492 2.765 20 30 EFEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089472722 1112194545 /nfs/dbraw/zinc/19/45/45/1112194545.db2.gz NWDYYSHSTXLHRL-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089475942 1112198364 /nfs/dbraw/zinc/19/83/64/1112198364.db2.gz CQMHELQHTFJXRB-BZSNNMDCSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484633 1112217744 /nfs/dbraw/zinc/21/77/44/1112217744.db2.gz YWEAAPTYOWABGC-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509884 1112259499 /nfs/dbraw/zinc/25/94/99/1112259499.db2.gz KHTIORLFDUYLLB-OALUTQOASA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510305 1112260262 /nfs/dbraw/zinc/26/02/62/1112260262.db2.gz QMWLSTUUEHBBNB-MOPGFXCFSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538295 1112283666 /nfs/dbraw/zinc/28/36/66/1112283666.db2.gz ALBFSAQMRMRRSL-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641780 1112434737 /nfs/dbraw/zinc/43/47/37/1112434737.db2.gz SPFVDUOZZFMXEF-MSOLQXFVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642220 1112435298 /nfs/dbraw/zinc/43/52/98/1112435298.db2.gz FNCFJLDCKTZYRE-FGTMMUONSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649140 1112464355 /nfs/dbraw/zinc/46/43/55/1112464355.db2.gz BZFGDQYOWQVSEQ-ROUUACIJSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649139 1112464522 /nfs/dbraw/zinc/46/45/22/1112464522.db2.gz BZFGDQYOWQVSEQ-QZTJIDSGSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650079 1112474882 /nfs/dbraw/zinc/47/48/82/1112474882.db2.gz UFKDSXJQKUGCOU-MOPGFXCFSA-N 2 0 347.547 2.594 20 30 EFEDRP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664300 1112613808 /nfs/dbraw/zinc/61/38/08/1112613808.db2.gz IWDBMFBZTOGBFH-KRWDZBQOSA-N 2 0 338.455 2.578 20 30 EFEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664895 1112617974 /nfs/dbraw/zinc/61/79/74/1112617974.db2.gz QBEVKHGYSMJOQR-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001089705769 1112857875 /nfs/dbraw/zinc/85/78/75/1112857875.db2.gz JJBIZSRNCUQHCF-RBUKOAKNSA-N 2 0 347.547 2.879 20 30 EFEDRP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484946239 1117873758 /nfs/dbraw/zinc/87/37/58/1117873758.db2.gz PBSUKDYVWMDLEM-IBGZPJMESA-N 2 0 343.515 2.663 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820452 1117878191 /nfs/dbraw/zinc/87/81/91/1117878191.db2.gz MRAMZYJSNPGDDG-MANSERQUSA-N 2 0 345.531 2.606 20 30 EFEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001040911982 1118035869 /nfs/dbraw/zinc/03/58/69/1118035869.db2.gz JUKAKGGBAKZELE-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485260793 1118179792 /nfs/dbraw/zinc/17/97/92/1118179792.db2.gz WNIGTIFAYKTORB-UHFFFAOYSA-N 2 0 329.916 2.545 20 30 EFEDRP C=CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272701960 1118661519 /nfs/dbraw/zinc/66/15/19/1118661519.db2.gz MFBWMUJHIDBUPZ-HXUWFJFHSA-N 2 0 349.519 2.526 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942528986 1118929960 /nfs/dbraw/zinc/92/99/60/1118929960.db2.gz CWIYMIIFQVOKLN-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474626 1119048825 /nfs/dbraw/zinc/04/88/25/1119048825.db2.gz XYDFXFFIQKWVFX-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942723994 1119087023 /nfs/dbraw/zinc/08/70/23/1119087023.db2.gz RUTQPGZLMIPUCK-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001106998685 1119350209 /nfs/dbraw/zinc/35/02/09/1119350209.db2.gz UHLVASNLNJSCSO-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875569 1119765991 /nfs/dbraw/zinc/76/59/91/1119765991.db2.gz DTGHDUHETSWDRC-LPHOPBHVSA-N 2 0 338.455 2.889 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000943875266 1119766023 /nfs/dbraw/zinc/76/60/23/1119766023.db2.gz CVPYFFILRXAFIV-LPHOPBHVSA-N 2 0 338.455 2.889 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001107030541 1119819173 /nfs/dbraw/zinc/81/91/73/1119819173.db2.gz KYYUSHUDAKBJSV-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001107030590 1119819374 /nfs/dbraw/zinc/81/93/74/1119819374.db2.gz NJZGSBYYEPWZGU-RDTXWAMCSA-N 2 0 349.906 2.798 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944044868 1119890757 /nfs/dbraw/zinc/89/07/57/1119890757.db2.gz AWKKKVLCUVRXCO-QFBILLFUSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107033089 1119908318 /nfs/dbraw/zinc/90/83/18/1119908318.db2.gz GMMAFYMIZQMMFZ-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001107034040 1119919997 /nfs/dbraw/zinc/91/99/97/1119919997.db2.gz GAVGYUBOUZANFO-RHSMWYFYSA-N 2 0 349.906 2.798 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028594 1120519110 /nfs/dbraw/zinc/51/91/10/1120519110.db2.gz KAEHQECSCMLUQU-KSSFIOAISA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029125 1120520920 /nfs/dbraw/zinc/52/09/20/1120520920.db2.gz QQMDVHAQGOUGQA-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945031153 1120522752 /nfs/dbraw/zinc/52/27/52/1120522752.db2.gz ZFTZAFGILOEEAM-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945091558 1120567969 /nfs/dbraw/zinc/56/79/69/1120567969.db2.gz OKSKPUXTEYQHTH-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)NC1CC[NH+](C(C)C)CC1 ZINC000262462593 240352844 /nfs/dbraw/zinc/35/28/44/240352844.db2.gz WKSXLCKXULLSKH-UHFFFAOYSA-N 2 0 335.496 2.510 20 30 EFEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262562959 240360005 /nfs/dbraw/zinc/36/00/05/240360005.db2.gz XANSZSJKDGTFFJ-RDJZCZTQSA-N 2 0 330.476 2.535 20 30 EFEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072803515 216307616 /nfs/dbraw/zinc/30/76/16/216307616.db2.gz KVLJAYLMZQKBMG-MRXNPFEDSA-N 2 0 328.460 2.551 20 30 EFEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072823578 216311473 /nfs/dbraw/zinc/31/14/73/216311473.db2.gz BERMQAYYADNILH-KRWDZBQOSA-N 2 0 328.460 2.551 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248058940 240286617 /nfs/dbraw/zinc/28/66/17/240286617.db2.gz XWNXHYRKYBHQGZ-AQNXPRMDSA-N 2 0 344.499 2.571 20 30 EFEDRP CC[NH+]=C(NCc1ccc(F)cc1F)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261953326 240333889 /nfs/dbraw/zinc/33/38/89/240333889.db2.gz IBQQWJIXGPCWLR-SJKOYZFVSA-N 2 0 336.430 2.503 20 30 EFEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261972211 240336767 /nfs/dbraw/zinc/33/67/67/240336767.db2.gz DMHWGVAEIGFBFP-INIZCTEOSA-N 2 0 349.544 2.973 20 30 EFEDRP CC(C)(CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000262314322 240345840 /nfs/dbraw/zinc/34/58/40/240345840.db2.gz AYWOKJCKDREUSY-MRXNPFEDSA-N 2 0 330.476 2.537 20 30 EFEDRP CC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000264065012 240398173 /nfs/dbraw/zinc/39/81/73/240398173.db2.gz AVNWWOCFKYELER-OAHLLOKOSA-N 2 0 332.492 2.610 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354543650 242004066 /nfs/dbraw/zinc/00/40/66/242004066.db2.gz XWKFINNMQGCBGD-DFQSSKMNSA-N 2 0 346.515 2.959 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358161387 242114449 /nfs/dbraw/zinc/11/44/49/242114449.db2.gz XKWIXNVRQXFCAE-DLBZAZTESA-N 2 0 336.524 2.589 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000358780687 242131837 /nfs/dbraw/zinc/13/18/37/242131837.db2.gz AFIYXMPXFPOTPT-UHFFFAOYSA-N 2 0 336.524 2.591 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000363785343 242282302 /nfs/dbraw/zinc/28/23/02/242282302.db2.gz OVUDKUNMKSEZJX-HKUYNNGSSA-N 2 0 341.499 2.518 20 30 EFEDRP C=CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000414735780 244317273 /nfs/dbraw/zinc/31/72/73/244317273.db2.gz GZSTUNKSLGNEAZ-GVDBMIGSSA-N 2 0 340.475 2.599 20 30 EFEDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000442796902 250120051 /nfs/dbraw/zinc/12/00/51/250120051.db2.gz WKEKSEZTXOHBBU-ZMSDIMECSA-N 2 0 330.451 2.920 20 30 EFEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000442893947 250138778 /nfs/dbraw/zinc/13/87/78/250138778.db2.gz HCXFDERHNWPKPM-SFHVURJKSA-N 2 0 340.515 2.969 20 30 EFEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000449733860 251134860 /nfs/dbraw/zinc/13/48/60/251134860.db2.gz KOMVSHMRIWUDMB-UHFFFAOYSA-N 2 0 327.403 2.928 20 30 EFEDRP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1F ZINC000262683030 533277332 /nfs/dbraw/zinc/27/73/32/533277332.db2.gz XCCPFVJYLXASRJ-CJNGLKHVSA-N 2 0 336.842 2.542 20 30 EFEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343557419 145237522 /nfs/dbraw/zinc/23/75/22/145237522.db2.gz VRXSUDUHFTWPRE-FXAWDEMLSA-N 2 0 329.488 2.827 20 30 EFEDRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000344144068 145378397 /nfs/dbraw/zinc/37/83/97/145378397.db2.gz SSCKHZLESGCNEP-DYESRHJHSA-N 2 0 335.451 2.846 20 30 EFEDRP COc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1C#N ZINC000174323655 533674987 /nfs/dbraw/zinc/67/49/87/533674987.db2.gz SVMCITLKOMHZKE-UHFFFAOYSA-N 2 0 339.439 2.797 20 30 EFEDRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000374248193 151307897 /nfs/dbraw/zinc/30/78/97/151307897.db2.gz AKSUWCIBYMGSJS-UWJYYQICSA-N 2 0 334.467 2.996 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000374421725 151345008 /nfs/dbraw/zinc/34/50/08/151345008.db2.gz PFUXUTHLIUNEHE-HOJAQTOUSA-N 2 0 343.471 2.511 20 30 EFEDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838359 273795897 /nfs/dbraw/zinc/79/58/97/273795897.db2.gz UFAVUWIWHDYZNK-NRFANRHFSA-N 2 0 340.515 2.941 20 30 EFEDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655233 276772962 /nfs/dbraw/zinc/77/29/62/276772962.db2.gz CNDCDBMSCXDZEU-NRFANRHFSA-N 2 0 340.515 2.941 20 30 EFEDRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000330297158 277112903 /nfs/dbraw/zinc/11/29/03/277112903.db2.gz KQZUFVHSUUGKPH-KRWDZBQOSA-N 2 0 345.491 2.686 20 30 EFEDRP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000262492744 278218060 /nfs/dbraw/zinc/21/80/60/278218060.db2.gz JNLHHGIGPUAOHK-VYDXJSESSA-N 2 0 330.476 2.677 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079194 279329883 /nfs/dbraw/zinc/32/98/83/279329883.db2.gz SFTWPPSGZGMKIT-FQEVSTJZSA-N 2 0 328.504 2.715 20 30 EFEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316035 319754182 /nfs/dbraw/zinc/75/41/82/319754182.db2.gz XSRJYWZDJPBPOJ-UWWQBHOKSA-N 2 0 330.451 2.644 20 30 EFEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000576911146 320059444 /nfs/dbraw/zinc/05/94/44/320059444.db2.gz IHWABEQNUWKZFB-IFMALSPDSA-N 2 0 347.462 2.902 20 30 EFEDRP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)NC1CCCCC1 ZINC000190536814 473310673 /nfs/dbraw/zinc/31/06/73/473310673.db2.gz DWAZMTPLBTXPRA-LJQANCHMSA-N 2 0 344.503 2.515 20 30 EFEDRP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[NH+]1CCCC1 ZINC000083030749 473315840 /nfs/dbraw/zinc/31/58/40/473315840.db2.gz FGTCSMAHNMSCGR-SJORKVTESA-N 2 0 330.476 2.535 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[NH+]1CCC(C)CC1 ZINC000083034011 473317260 /nfs/dbraw/zinc/31/72/60/473317260.db2.gz NSJRHBUANNMSID-WBVHZDCISA-N 2 0 330.476 2.535 20 30 EFEDRP COc1ccc([C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)N2CCCC2)cc1 ZINC000190688625 473360766 /nfs/dbraw/zinc/36/07/66/473360766.db2.gz KIGNYMKYEGFNLO-HXUWFJFHSA-N 2 0 338.455 2.832 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843961 472484343 /nfs/dbraw/zinc/48/43/43/472484343.db2.gz BLBYUHIBWBPFSK-KRWDZBQOSA-N 2 0 329.488 2.521 20 30 EFEDRP C[N@@H+]1CCC[C@H]1CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120148544 472638967 /nfs/dbraw/zinc/63/89/67/472638967.db2.gz KTXJXMYHNURQNK-SFHVURJKSA-N 2 0 349.482 2.713 20 30 EFEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072630400 472688326 /nfs/dbraw/zinc/68/83/26/472688326.db2.gz RDJHVXFMFCZMEB-UHFFFAOYSA-N 2 0 328.460 2.693 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132454747 472735314 /nfs/dbraw/zinc/73/53/14/472735314.db2.gz YWAFZYDTHKJYSH-GHTZIAJQSA-N 2 0 343.515 2.621 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000079065910 472814858 /nfs/dbraw/zinc/81/48/58/472814858.db2.gz JHIWDNZCAGOPID-IBGZPJMESA-N 2 0 348.535 2.611 20 30 EFEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048783013 472909448 /nfs/dbraw/zinc/90/94/48/472909448.db2.gz AVZDULPQDBETNO-UHFFFAOYSA-N 2 0 334.467 2.595 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092801577 472987816 /nfs/dbraw/zinc/98/78/16/472987816.db2.gz ISBXKLDRWMLRNL-GOSISDBHSA-N 2 0 348.535 2.725 20 30 EFEDRP N#Cc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134909861 472988474 /nfs/dbraw/zinc/98/84/74/472988474.db2.gz BBDBYLNSFPTGAI-YLJYHZDGSA-N 2 0 325.456 2.886 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000159249159 473012605 /nfs/dbraw/zinc/01/26/05/473012605.db2.gz XUYYGXFXWOMZHK-IBGZPJMESA-N 2 0 348.535 2.687 20 30 EFEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000066244445 473063886 /nfs/dbraw/zinc/06/38/86/473063886.db2.gz OCZFXDFSTQMZOU-UHFFFAOYSA-N 2 0 332.492 2.502 20 30 EFEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109786985 473123663 /nfs/dbraw/zinc/12/36/63/473123663.db2.gz STPFYVNKPPXENP-UHFFFAOYSA-N 2 0 328.460 2.693 20 30 EFEDRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000190909521 473426325 /nfs/dbraw/zinc/42/63/25/473426325.db2.gz MXVXWGWVKBAZHK-UHFFFAOYSA-N 2 0 328.485 2.960 20 30 EFEDRP C=CCOc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000185895875 473542436 /nfs/dbraw/zinc/54/24/36/473542436.db2.gz OLYJJSYPYTVALO-UHFFFAOYSA-N 2 0 331.504 2.757 20 30 EFEDRP C=C(C)C[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000193731981 473804302 /nfs/dbraw/zinc/80/43/02/473804302.db2.gz SWOHMHBGPLVAKD-UHFFFAOYSA-N 2 0 343.515 2.974 20 30 EFEDRP COc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000281692855 473807655 /nfs/dbraw/zinc/80/76/55/473807655.db2.gz NEUMMUSPXKWUGH-UHFFFAOYSA-N 2 0 336.439 2.968 20 30 EFEDRP COc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000281717762 473816262 /nfs/dbraw/zinc/81/62/62/473816262.db2.gz PAGSKLCMZZUHAP-UHFFFAOYSA-N 2 0 339.439 2.797 20 30 EFEDRP Cn1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180188314 473821530 /nfs/dbraw/zinc/82/15/30/473821530.db2.gz GLKOZUYJWRNBOJ-SFHVURJKSA-N 2 0 349.482 2.876 20 30 EFEDRP C#CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000274584089 473882795 /nfs/dbraw/zinc/88/27/95/473882795.db2.gz IFOBEVJNLSSXBP-SFTDATJTSA-N 2 0 349.478 2.760 20 30 EFEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000264106093 473950172 /nfs/dbraw/zinc/95/01/72/473950172.db2.gz NWCNRHYMMRWVLQ-LJQANCHMSA-N 2 0 345.535 2.809 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC000264132808 473952645 /nfs/dbraw/zinc/95/26/45/473952645.db2.gz YQPBMPAWEQHAET-INIZCTEOSA-N 2 0 348.491 2.941 20 30 EFEDRP C[NH+]=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)NC1CC1 ZINC000264408400 473980615 /nfs/dbraw/zinc/98/06/15/473980615.db2.gz DZUFURKMEWCRCV-UHFFFAOYSA-N 2 0 334.895 2.879 20 30 EFEDRP C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181426890 474035483 /nfs/dbraw/zinc/03/54/83/474035483.db2.gz IXGSBMGTOSMJGN-BBWFWOEESA-N 2 0 331.460 2.739 20 30 EFEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])Nc2cc(F)ccc2F)c1 ZINC000288789437 474051949 /nfs/dbraw/zinc/05/19/49/474051949.db2.gz XLZBJXSVYSFQGR-UHFFFAOYSA-N 2 0 348.397 2.832 20 30 EFEDRP C=CCC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181639361 474053161 /nfs/dbraw/zinc/05/31/61/474053161.db2.gz VFLLJRBDGDCZCO-SJLPKXTDSA-N 2 0 349.494 2.945 20 30 EFEDRP C=CCC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181639418 474054254 /nfs/dbraw/zinc/05/42/54/474054254.db2.gz VFLLJRBDGDCZCO-WMZOPIPTSA-N 2 0 349.494 2.945 20 30 EFEDRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270562238 474170491 /nfs/dbraw/zinc/17/04/91/474170491.db2.gz KDWXRTDGNDTHSY-SWLSCSKDSA-N 2 0 326.847 2.786 20 30 EFEDRP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000266979530 474555030 /nfs/dbraw/zinc/55/50/30/474555030.db2.gz LVNXSXWRBKWFOG-ZDUSSCGKSA-N 2 0 340.393 2.594 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290563710 474577038 /nfs/dbraw/zinc/57/70/38/474577038.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 2 0 326.488 2.953 20 30 EFEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000271870241 474596948 /nfs/dbraw/zinc/59/69/48/474596948.db2.gz MLAQIXOWQWEXPX-YSSFQJQWSA-N 2 0 343.471 2.617 20 30 EFEDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000271992083 474599179 /nfs/dbraw/zinc/59/91/79/474599179.db2.gz ZLCSITYPEZXYCI-OAHLLOKOSA-N 2 0 332.467 2.622 20 30 EFEDRP C#CCN1CCC(c2nc(Cn3c4ccccc4nc3CC)no2)CC1 ZINC000278216977 474603298 /nfs/dbraw/zinc/60/32/98/474603298.db2.gz WPOYTQVMHLDDSA-UHFFFAOYSA-N 2 0 349.438 2.843 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2ccc(C)cc2)n1 ZINC000267387496 474666491 /nfs/dbraw/zinc/66/64/91/474666491.db2.gz CEMBEOLALGPEMU-QGZVFWFLSA-N 2 0 341.459 2.539 20 30 EFEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000267449711 474669033 /nfs/dbraw/zinc/66/90/33/474669033.db2.gz RBEHEYWCAFEDRJ-MRXNPFEDSA-N 2 0 332.492 2.502 20 30 EFEDRP C=CCN1CC[C@@H]([NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000337162855 474750248 /nfs/dbraw/zinc/75/02/48/474750248.db2.gz WDRVHSBYGDMERE-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP CC(C)[N@H+](C)CCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278784800 474833460 /nfs/dbraw/zinc/83/34/60/474833460.db2.gz ZNVGJJAUITUPED-UHFFFAOYSA-N 2 0 340.475 2.679 20 30 EFEDRP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCC[NH+]1CCCC1 ZINC000337277843 474851144 /nfs/dbraw/zinc/85/11/44/474851144.db2.gz RYVNDABNJWZWPW-AWEZNQCLSA-N 2 0 348.878 2.956 20 30 EFEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345123748 474914633 /nfs/dbraw/zinc/91/46/33/474914633.db2.gz BQMLNXNWOLRTJQ-INIZCTEOSA-N 2 0 342.487 2.569 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000337428293 475006772 /nfs/dbraw/zinc/00/67/72/475006772.db2.gz CUUHAEBSWLQMAH-CEXWTWQISA-N 2 0 348.535 2.611 20 30 EFEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268967156 475100357 /nfs/dbraw/zinc/10/03/57/475100357.db2.gz HJJBLQWZTWOTRV-OAHLLOKOSA-N 2 0 338.879 2.925 20 30 EFEDRP Cc1cnccc1OC1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000329771118 475129730 /nfs/dbraw/zinc/12/97/30/475129730.db2.gz GQOGIEJNCCNPJO-UHFFFAOYSA-N 2 0 328.416 2.636 20 30 EFEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1=O ZINC000281326637 475171916 /nfs/dbraw/zinc/17/19/16/475171916.db2.gz VLXKWRYSUAWSHC-XLIONFOSSA-N 2 0 341.499 2.938 20 30 EFEDRP C#C[C@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000262250977 475207688 /nfs/dbraw/zinc/20/76/88/475207688.db2.gz CTKMAMMBTUPPGJ-SFHVURJKSA-N 2 0 326.488 2.603 20 30 EFEDRP C#C[C@@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000262250973 475207779 /nfs/dbraw/zinc/20/77/79/475207779.db2.gz CTKMAMMBTUPPGJ-GOSISDBHSA-N 2 0 326.488 2.603 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262428754 475237837 /nfs/dbraw/zinc/23/78/37/475237837.db2.gz SDJBDPVOXOPBPT-VAMGGRTRSA-N 2 0 340.515 2.611 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)CC[NH+]2CCCC2)CC1 ZINC000352821453 475648708 /nfs/dbraw/zinc/64/87/08/475648708.db2.gz VAFKFSHLOPQDBC-UHFFFAOYSA-N 2 0 336.524 2.544 20 30 EFEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304494283 476287799 /nfs/dbraw/zinc/28/77/99/476287799.db2.gz PAWDYSLQYABYNV-RDJZCZTQSA-N 2 0 330.476 2.679 20 30 EFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000368535998 476355657 /nfs/dbraw/zinc/35/56/57/476355657.db2.gz CEARBTCMPFICDB-JYBIWHBTSA-N 2 0 329.488 2.863 20 30 EFEDRP C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000360838877 476419475 /nfs/dbraw/zinc/41/94/75/476419475.db2.gz VUZPHDOFRMTMTA-LAUBAEHRSA-N 2 0 340.515 2.799 20 30 EFEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360885528 476455274 /nfs/dbraw/zinc/45/52/74/476455274.db2.gz SONREULQNGMYEJ-DYESRHJHSA-N 2 0 340.515 2.941 20 30 EFEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162700 476459154 /nfs/dbraw/zinc/45/91/54/476459154.db2.gz OCUJWWNKEIRUIZ-KRWDZBQOSA-N 2 0 346.519 2.525 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363658568 476481711 /nfs/dbraw/zinc/48/17/11/476481711.db2.gz CJUDMOZONFYOFH-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000351884309 476503992 /nfs/dbraw/zinc/50/39/92/476503992.db2.gz XLFMYMLQLMMVIQ-UHFFFAOYSA-N 2 0 343.515 2.913 20 30 EFEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224393 476518336 /nfs/dbraw/zinc/51/83/36/476518336.db2.gz NXNYPAUROOKXKD-NVXWUHKLSA-N 2 0 328.460 2.691 20 30 EFEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2C(C)(C)C#N)CC1 ZINC000451977567 476758064 /nfs/dbraw/zinc/75/80/64/476758064.db2.gz DQTMXLQPDMWNHZ-UHFFFAOYSA-N 2 0 342.531 2.993 20 30 EFEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC#Cc2ccc(Cl)cc2)CC1 ZINC000451980084 476759833 /nfs/dbraw/zinc/75/98/33/476759833.db2.gz HJQRMOFDWNIMNL-UHFFFAOYSA-N 2 0 333.907 2.697 20 30 EFEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(Cl)cc2C#N)CC1 ZINC000451992652 476765246 /nfs/dbraw/zinc/76/52/46/476765246.db2.gz UHVKFXMTXKGDJQ-UHFFFAOYSA-N 2 0 334.895 2.717 20 30 EFEDRP COC[C@H](CCC[NH3+])[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422990188 476880842 /nfs/dbraw/zinc/88/08/42/476880842.db2.gz NCPFRGPDSWBPNF-ADKAHSJRSA-N 2 0 331.460 2.592 20 30 EFEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000423433863 477032000 /nfs/dbraw/zinc/03/20/00/477032000.db2.gz XHMCVTZSFUJZLL-SAABIXHNSA-N 2 0 326.488 2.882 20 30 EFEDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000375900645 477071655 /nfs/dbraw/zinc/07/16/55/477071655.db2.gz HLIXNAPPWOMIBQ-XLIONFOSSA-N 2 0 326.488 2.720 20 30 EFEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCOc1cccc(C#N)c1 ZINC000371294707 477224071 /nfs/dbraw/zinc/22/40/71/477224071.db2.gz MQJDXRGQQSPFBS-YZGWKJHDSA-N 2 0 343.471 2.511 20 30 EFEDRP C=CCC(CC=C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016692 477262788 /nfs/dbraw/zinc/26/27/88/477262788.db2.gz DESRZTJNCLEPFV-UHFFFAOYSA-N 2 0 341.499 2.865 20 30 EFEDRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000424131024 477301817 /nfs/dbraw/zinc/30/18/17/477301817.db2.gz GCCJIAHQJGDBSG-HOTGVXAUSA-N 2 0 348.516 2.658 20 30 EFEDRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424143865 477305949 /nfs/dbraw/zinc/30/59/49/477305949.db2.gz GQQFVKJYTJTQFL-MRXNPFEDSA-N 2 0 346.500 2.504 20 30 EFEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000424155178 477311828 /nfs/dbraw/zinc/31/18/28/477311828.db2.gz MIASAPREVYYENV-MRXNPFEDSA-N 2 0 337.427 2.846 20 30 EFEDRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)CC1 ZINC000424165541 477315494 /nfs/dbraw/zinc/31/54/94/477315494.db2.gz DWEMBWIOTKTFSX-LJQANCHMSA-N 2 0 342.487 2.921 20 30 EFEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090627 477668675 /nfs/dbraw/zinc/66/86/75/477668675.db2.gz WYGUQCQYCZUMHK-CQVJONBTSA-N 2 0 342.487 2.962 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368232239 477792724 /nfs/dbraw/zinc/79/27/24/477792724.db2.gz ABPDQSOIRFRYHZ-MTFMMBMASA-N 2 0 341.499 2.567 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368232238 477792952 /nfs/dbraw/zinc/79/29/52/477792952.db2.gz ABPDQSOIRFRYHZ-IJXRJRJASA-N 2 0 341.499 2.567 20 30 EFEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421322453 478035940 /nfs/dbraw/zinc/03/59/40/478035940.db2.gz GLTBSJOOJZHVBZ-UHFFFAOYSA-N 2 0 341.430 2.970 20 30 EFEDRP C[NH+](C)C1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000421370264 478059277 /nfs/dbraw/zinc/05/92/77/478059277.db2.gz ICFWNCBPSUKZQA-UHFFFAOYSA-N 2 0 326.488 2.989 20 30 EFEDRP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000489400971 478241845 /nfs/dbraw/zinc/24/18/45/478241845.db2.gz LAYZPOVQRJABNX-HXUWFJFHSA-N 2 0 341.499 2.939 20 30 EFEDRP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]2CCCC2)cc1 ZINC000594436288 478385277 /nfs/dbraw/zinc/38/52/77/478385277.db2.gz CUEOMNAOIQBPIY-OALUTQOASA-N 2 0 342.487 2.659 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000581809959 478443223 /nfs/dbraw/zinc/44/32/23/478443223.db2.gz ZWZXZEPKYXHSRB-HXUWFJFHSA-N 2 0 344.499 2.619 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600718590 478484403 /nfs/dbraw/zinc/48/44/03/478484403.db2.gz YMIJSZGZOUDPLC-MJGOQNOKSA-N 2 0 345.487 2.542 20 30 EFEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000571780164 478677151 /nfs/dbraw/zinc/67/71/51/478677151.db2.gz ITTFMHODLPXMGA-UHFFFAOYSA-N 2 0 348.454 2.731 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000564859957 478836588 /nfs/dbraw/zinc/83/65/88/478836588.db2.gz KYVOOCJIALITLI-IBGZPJMESA-N 2 0 337.423 2.592 20 30 EFEDRP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598602868 478922389 /nfs/dbraw/zinc/92/23/89/478922389.db2.gz WKHZKYHILHDEDH-YTQUADARSA-N 2 0 329.488 2.787 20 30 EFEDRP CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000598617131 478927945 /nfs/dbraw/zinc/92/79/45/478927945.db2.gz PYQGRBCMRKVDIB-MRXNPFEDSA-N 2 0 338.455 2.658 20 30 EFEDRP CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)N1CCc2ccccc2C1 ZINC000598701916 478979715 /nfs/dbraw/zinc/97/97/15/478979715.db2.gz ZSYFKPIRZJKTEI-RTBURBONSA-N 2 0 329.488 2.714 20 30 EFEDRP CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)N1CCc2ccccc2C1 ZINC000598701915 478979914 /nfs/dbraw/zinc/97/99/14/478979914.db2.gz ZSYFKPIRZJKTEI-RBUKOAKNSA-N 2 0 329.488 2.714 20 30 EFEDRP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000598720633 478990038 /nfs/dbraw/zinc/99/00/38/478990038.db2.gz QHJDKVJVVMKRPB-SFHVURJKSA-N 2 0 345.487 2.552 20 30 EFEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000584166909 479037101 /nfs/dbraw/zinc/03/71/01/479037101.db2.gz PGVPSEHRDZWCQY-XIRDDKMYSA-N 2 0 330.451 2.644 20 30 EFEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954666 479217879 /nfs/dbraw/zinc/21/78/79/479217879.db2.gz XCFMFKHNWNCLJV-FQEVSTJZSA-N 2 0 340.515 2.843 20 30 EFEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320210 479293777 /nfs/dbraw/zinc/29/37/77/479293777.db2.gz AQXLJKLQHPUNTK-OXJNMPFZSA-N 2 0 326.488 2.500 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000593324589 479296549 /nfs/dbraw/zinc/29/65/49/479296549.db2.gz XUULFBARZJGICY-ICSRJNTNSA-N 2 0 326.488 2.630 20 30 EFEDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390847 479365227 /nfs/dbraw/zinc/36/52/27/479365227.db2.gz UZIPOKHCKCEDKH-OXJNMPFZSA-N 2 0 326.488 2.551 20 30 EFEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390610 479365665 /nfs/dbraw/zinc/36/56/65/479365665.db2.gz KWGPMMMORWQMTI-FQEVSTJZSA-N 2 0 326.488 2.553 20 30 EFEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392810 479365974 /nfs/dbraw/zinc/36/59/74/479365974.db2.gz NFTTYTKKCXCSOP-GHTZIAJQSA-N 2 0 338.499 2.694 20 30 EFEDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392129 479366381 /nfs/dbraw/zinc/36/63/81/479366381.db2.gz MEWLFFIAUGGKOY-HXUWFJFHSA-N 2 0 326.488 2.553 20 30 EFEDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611393350 479366644 /nfs/dbraw/zinc/36/66/44/479366644.db2.gz CYQJQZLEEQBEES-HXUWFJFHSA-N 2 0 326.488 2.551 20 30 EFEDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392812 479366857 /nfs/dbraw/zinc/36/68/57/479366857.db2.gz NFTTYTKKCXCSOP-RXVVDRJESA-N 2 0 338.499 2.694 20 30 EFEDRP N#Cc1ccc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000596652968 479373415 /nfs/dbraw/zinc/37/34/15/479373415.db2.gz XLJLQNRUSWYNAA-PZJWPPBQSA-N 2 0 333.435 2.946 20 30 EFEDRP CSC1(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC[NH+](C)CC1 ZINC000602665916 479460912 /nfs/dbraw/zinc/46/09/12/479460912.db2.gz DWGBIRUDENGZKO-HNNXBMFYSA-N 2 0 325.522 2.502 20 30 EFEDRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000618568571 479495758 /nfs/dbraw/zinc/49/57/58/479495758.db2.gz IAYOKZXEZWWGKT-SXLOBPIMSA-N 2 0 326.488 2.647 20 30 EFEDRP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000615094050 479599408 /nfs/dbraw/zinc/59/94/08/479599408.db2.gz XTDPRNSQAOJVQO-YBXZHIRMSA-N 2 0 340.471 2.860 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000578880770 479626682 /nfs/dbraw/zinc/62/66/82/479626682.db2.gz KJWRMYTUCWRXBT-UUKMXZOPSA-N 2 0 346.515 2.865 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)C(C)C ZINC000662683404 481932326 /nfs/dbraw/zinc/93/23/26/481932326.db2.gz ZAWQXITXCIQTLR-HXUWFJFHSA-N 2 0 341.499 2.761 20 30 EFEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000081516169 521498938 /nfs/dbraw/zinc/49/89/38/521498938.db2.gz JMSLXYDONYRWAM-QGZVFWFLSA-N 2 0 328.460 2.551 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000171728602 526435223 /nfs/dbraw/zinc/43/52/23/526435223.db2.gz PZPSTHNRQUSUMC-UHFFFAOYSA-N 2 0 344.503 2.588 20 30 EFEDRP N#Cc1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180796922 526781736 /nfs/dbraw/zinc/78/17/36/526781736.db2.gz QIHNGPPBTUUNCI-UHFFFAOYSA-N 2 0 333.501 2.944 20 30 EFEDRP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000180988575 526783724 /nfs/dbraw/zinc/78/37/24/526783724.db2.gz BRADANSJLORJPH-GOSISDBHSA-N 2 0 341.480 2.866 20 30 EFEDRP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000162816517 527261784 /nfs/dbraw/zinc/26/17/84/527261784.db2.gz XWNXHYRKYBHQGZ-AABGKKOBSA-N 2 0 344.499 2.571 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040942 527644665 /nfs/dbraw/zinc/64/46/65/527644665.db2.gz VJMANZKCGBTOBI-OALUTQOASA-N 2 0 348.535 2.565 20 30 EFEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170912904 528234627 /nfs/dbraw/zinc/23/46/27/528234627.db2.gz ATXWEGOGALPOKC-QGZVFWFLSA-N 2 0 325.460 2.761 20 30 EFEDRP CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262644595 535338706 /nfs/dbraw/zinc/33/87/06/535338706.db2.gz ICKIVBDXJFTSBZ-KRWDZBQOSA-N 2 0 332.492 2.736 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000764505306 576466539 /nfs/dbraw/zinc/46/65/39/576466539.db2.gz CZYVQZXFJMPGIH-UHFFFAOYSA-N 2 0 329.488 2.797 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000764507891 576466875 /nfs/dbraw/zinc/46/68/75/576466875.db2.gz KGVFROJDLBRUPN-UHFFFAOYSA-N 2 0 349.906 2.786 20 30 EFEDRP C#Cc1cccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000726438106 577365197 /nfs/dbraw/zinc/36/51/97/577365197.db2.gz LZCBMHZZMVAKFN-UHFFFAOYSA-N 2 0 346.544 2.570 20 30 EFEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCCc3ccccc3F)cc2)CC1 ZINC000771557289 581222538 /nfs/dbraw/zinc/22/25/38/581222538.db2.gz BDNPYUKTBKOKMT-UHFFFAOYSA-N 2 0 340.446 2.744 20 30 EFEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001167836618 1249689949 /nfs/dbraw/zinc/68/99/49/1249689949.db2.gz GBXYBFPYDVTLEB-KRWDZBQOSA-N 2 0 329.492 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753549225 1249827705 /nfs/dbraw/zinc/82/77/05/1249827705.db2.gz YZOWAGMMMNKVJS-IRXDYDNUSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752810635 1251454772 /nfs/dbraw/zinc/45/47/72/1251454772.db2.gz VSFJYQSYJAZEJJ-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001752828009 1251584673 /nfs/dbraw/zinc/58/46/73/1251584673.db2.gz WWENFZZIHNPPDA-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001752829763 1251594269 /nfs/dbraw/zinc/59/42/69/1251594269.db2.gz VCAWYYBTQJLBAV-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683865 1252165391 /nfs/dbraw/zinc/16/53/91/1252165391.db2.gz IGBKKPQKGCVJNJ-MOPGFXCFSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001089687426 1252183350 /nfs/dbraw/zinc/18/33/50/1252183350.db2.gz JSIWVJZCOYDWDU-DLBZAZTESA-N 2 0 344.503 2.547 20 30 EFEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001089687433 1252183990 /nfs/dbraw/zinc/18/39/90/1252183990.db2.gz JSIWVJZCOYDWDU-SJORKVTESA-N 2 0 344.503 2.547 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCCC)CC1 ZINC001089733857 1252328091 /nfs/dbraw/zinc/32/80/91/1252328091.db2.gz BBSAQNCGPLMQDW-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484344046 1252431517 /nfs/dbraw/zinc/43/15/17/1252431517.db2.gz LXXCCGRBDCVXMM-UKRRQHHQSA-N 2 0 346.862 2.835 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995853005 1254793462 /nfs/dbraw/zinc/79/34/62/1254793462.db2.gz ASRCKMCWNBZXJH-OAHLLOKOSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995903117 1254826738 /nfs/dbraw/zinc/82/67/38/1254826738.db2.gz JVCRZVSTAUPJMW-CVEARBPZSA-N 2 0 341.927 2.828 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC000995990918 1254920302 /nfs/dbraw/zinc/92/03/02/1254920302.db2.gz CQPQTYFONCKAST-JKSUJKDBSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC1(C)C ZINC000996012833 1254937554 /nfs/dbraw/zinc/93/75/54/1254937554.db2.gz XOTSRINBVMBDLO-OAHLLOKOSA-N 2 0 332.835 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC000996379744 1255261005 /nfs/dbraw/zinc/26/10/05/1255261005.db2.gz OIVHOVOZJRUKEG-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996415204 1255293370 /nfs/dbraw/zinc/29/33/70/1255293370.db2.gz UEOPADVXSOREOY-KRWDZBQOSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996524372 1255389576 /nfs/dbraw/zinc/38/95/76/1255389576.db2.gz PMUYCDWILGWXLA-UHFFFAOYSA-N 2 0 327.900 2.584 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CCCC1 ZINC001098815332 1255395710 /nfs/dbraw/zinc/39/57/10/1255395710.db2.gz WHKKPYLTUOQFQX-ICSRJNTNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996673761 1255705225 /nfs/dbraw/zinc/70/52/25/1255705225.db2.gz SFCSERDJZDHEOS-SFHVURJKSA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1)C1CCCC1 ZINC001098819550 1255735040 /nfs/dbraw/zinc/73/50/40/1255735040.db2.gz ALDOVSNXNKORLD-ICSRJNTNSA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410886 1255771477 /nfs/dbraw/zinc/77/14/77/1255771477.db2.gz ZDQIBVYXPXBNEK-SFHLNBCPSA-N 2 0 345.531 2.655 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107424411 1255784103 /nfs/dbraw/zinc/78/41/03/1255784103.db2.gz MRWCQZRSZADANM-ZHALLVOQSA-N 2 0 339.499 2.603 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107436155 1255813464 /nfs/dbraw/zinc/81/34/64/1255813464.db2.gz OGWAISOWCQCEJH-SFHLNBCPSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000996747834 1255948003 /nfs/dbraw/zinc/94/80/03/1255948003.db2.gz PUEICIUICHXJAH-UHFFFAOYSA-N 2 0 332.835 2.589 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107482674 1255962703 /nfs/dbraw/zinc/96/27/03/1255962703.db2.gz NIAGXIJUTWLVIZ-TZIWHRDSSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107547011 1256106172 /nfs/dbraw/zinc/10/61/72/1256106172.db2.gz XSKOALGAEZUACF-QWFCFKBJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547239 1256107317 /nfs/dbraw/zinc/10/73/17/1256107317.db2.gz GQHQUKHNPMQXSA-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001107619271 1256308192 /nfs/dbraw/zinc/30/81/92/1256308192.db2.gz UJIAYOGPWHJILL-NRSPTQNISA-N 2 0 345.531 2.799 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3ccccc3)N(C)C)CCC[C@@H]12 ZINC001107646735 1256370921 /nfs/dbraw/zinc/37/09/21/1256370921.db2.gz TUFZQMUBOBRIQU-SFHLNBCPSA-N 2 0 341.499 2.836 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000997132863 1257033427 /nfs/dbraw/zinc/03/34/27/1257033427.db2.gz QFBPJAGCOHTTOV-IEBWSBKVSA-N 2 0 335.536 2.757 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136441 1257038264 /nfs/dbraw/zinc/03/82/64/1257038264.db2.gz GBISEKDWFIBWHF-YLJYHZDGSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032406282 1257125656 /nfs/dbraw/zinc/12/56/56/1257125656.db2.gz WSLDRCOMBLJWMQ-HOJAQTOUSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997170790 1257176843 /nfs/dbraw/zinc/17/68/43/1257176843.db2.gz PMIHYNHNWQBRIZ-LJQANCHMSA-N 2 0 349.906 2.797 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997172582 1257179722 /nfs/dbraw/zinc/17/97/22/1257179722.db2.gz YLUINAKFAPMCKU-QGZVFWFLSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCCCC1 ZINC001089910030 1257555936 /nfs/dbraw/zinc/55/59/36/1257555936.db2.gz ODRJXMCPLZIWRU-HAGHYFMRSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997396611 1257569353 /nfs/dbraw/zinc/56/93/53/1257569353.db2.gz WQARJXBVQLRXBH-OAHLLOKOSA-N 2 0 330.476 2.554 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997618174 1258121919 /nfs/dbraw/zinc/12/19/19/1258121919.db2.gz PLPUOKOJQBNOTM-LPHOPBHVSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997619078 1258123106 /nfs/dbraw/zinc/12/31/06/1258123106.db2.gz WRTGUVIGHZWJCH-FXAWDEMLSA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677917 1258221746 /nfs/dbraw/zinc/22/17/46/1258221746.db2.gz WKLIWIZUNJSMOZ-HNNXBMFYSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997727278 1258306823 /nfs/dbraw/zinc/30/68/23/1258306823.db2.gz ZRHRRGSQBIENGJ-PKOBYXMFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Br)C[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168595653 1258378681 /nfs/dbraw/zinc/37/86/81/1258378681.db2.gz NOVQKUPENXCNRQ-UHFFFAOYSA-N 2 0 348.329 2.503 20 30 EFEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997790337 1258410760 /nfs/dbraw/zinc/41/07/60/1258410760.db2.gz FKYRBXSRVUIBSQ-KRWDZBQOSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997798328 1258437001 /nfs/dbraw/zinc/43/70/01/1258437001.db2.gz CIZBCNWBPBBHPI-INIZCTEOSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000997817604 1258489907 /nfs/dbraw/zinc/48/99/07/1258489907.db2.gz NLROZBMQVBGHKN-KRWDZBQOSA-N 2 0 335.536 2.900 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC000997874939 1258558341 /nfs/dbraw/zinc/55/83/41/1258558341.db2.gz VBFYJBJXJAPBDO-MSOLQXFVSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006225 1258936230 /nfs/dbraw/zinc/93/62/30/1258936230.db2.gz JHNIEBVEHWMENG-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000998047552 1259022846 /nfs/dbraw/zinc/02/28/46/1259022846.db2.gz QOQAGRRCARPPEY-DLBZAZTESA-N 2 0 344.503 2.712 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998099576 1259103937 /nfs/dbraw/zinc/10/39/37/1259103937.db2.gz SKSOECQJTSBHCX-FHWLQOOXSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000998125828 1259137788 /nfs/dbraw/zinc/13/77/88/1259137788.db2.gz LQIBRRQTPFJCES-RCCFBDPRSA-N 2 0 344.503 2.803 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998176083 1259195505 /nfs/dbraw/zinc/19/55/05/1259195505.db2.gz HMZVFJBEFNQJET-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000998768633 1259924951 /nfs/dbraw/zinc/92/49/51/1259924951.db2.gz CXLIPZFVYFQOLW-UHFFFAOYSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000998901206 1260072268 /nfs/dbraw/zinc/07/22/68/1260072268.db2.gz KQUDWEHYNPLQLQ-PREGVCBESA-N 2 0 339.911 2.725 20 30 EFEDRP C=C(C)CN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001273144921 1260364003 /nfs/dbraw/zinc/36/40/03/1260364003.db2.gz UJSISHUSCBNZCA-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000999406897 1260600583 /nfs/dbraw/zinc/60/05/83/1260600583.db2.gz BOWJPGFNYGYVPN-KVULBXGLSA-N 2 0 345.890 2.530 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)N(C)C ZINC001032725522 1261080043 /nfs/dbraw/zinc/08/00/43/1261080043.db2.gz OMHUGACUNWIZSS-ZJOUEHCJSA-N 2 0 341.499 2.715 20 30 EFEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722259 1261207159 /nfs/dbraw/zinc/20/71/59/1261207159.db2.gz JQZJHRSYKMWSER-IBGZPJMESA-N 2 0 330.472 2.842 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586484 1266416639 /nfs/dbraw/zinc/41/66/39/1266416639.db2.gz KJCNPNDASQGCGQ-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902802 1261692530 /nfs/dbraw/zinc/69/25/30/1261692530.db2.gz ZOEZZTORMDYDHX-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946902801 1261693510 /nfs/dbraw/zinc/69/35/10/1261693510.db2.gz ZOEZZTORMDYDHX-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946904569 1261723803 /nfs/dbraw/zinc/72/38/03/1261723803.db2.gz JYVCZOUOURVYNN-ZCNNSNEGSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC[C@@H]2C1 ZINC000946904977 1261726327 /nfs/dbraw/zinc/72/63/27/1261726327.db2.gz WVDJCRDRYIGXEH-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001000991897 1261789758 /nfs/dbraw/zinc/78/97/58/1261789758.db2.gz KNRNFOIIKPZLMI-KRWDZBQOSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C12CCC2 ZINC001078683631 1262142769 /nfs/dbraw/zinc/14/27/69/1262142769.db2.gz UIVIZICFPNPKLI-CVEARBPZSA-N 2 0 344.846 2.717 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001001405812 1262182136 /nfs/dbraw/zinc/18/21/36/1262182136.db2.gz USFCTVWMKPGOOP-RBUKOAKNSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001078786394 1262345224 /nfs/dbraw/zinc/34/52/24/1262345224.db2.gz VDTIOHXKMZOOEW-HOTGVXAUSA-N 2 0 348.878 2.531 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078820657 1262365095 /nfs/dbraw/zinc/36/50/95/1262365095.db2.gz YLMQPGMKNOCQEF-ROUUACIJSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082559834 1263222115 /nfs/dbraw/zinc/22/21/15/1263222115.db2.gz QKAURORMVGDTCG-KBRIMQKVSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082853737 1263369970 /nfs/dbraw/zinc/36/99/70/1263369970.db2.gz SGDKLBXSRHUUFZ-LSBZLQRGSA-N 2 0 349.906 2.652 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084344648 1263840682 /nfs/dbraw/zinc/84/06/82/1263840682.db2.gz CHFSHFVYKQVEHK-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406156 1263917365 /nfs/dbraw/zinc/91/73/65/1263917365.db2.gz HWAGXDJVWXMQEE-NZSAHSFTSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084603747 1264069451 /nfs/dbraw/zinc/06/94/51/1264069451.db2.gz JIWZUVMLEUGTSX-YZGWKJHDSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084768061 1264347308 /nfs/dbraw/zinc/34/73/08/1264347308.db2.gz UHOXKVHCUPCHTR-CEXWTWQISA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944590 1264716851 /nfs/dbraw/zinc/71/68/51/1264716851.db2.gz YEEDNUCSHGHLDO-KSZLIROESA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957737 1264764124 /nfs/dbraw/zinc/76/41/24/1264764124.db2.gz TZGWZZOYQLXPGL-AQNXPRMDSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003799597 1265189459 /nfs/dbraw/zinc/18/94/59/1265189459.db2.gz LMZUWFCJYRMNEM-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004370032 1266788652 /nfs/dbraw/zinc/78/86/52/1266788652.db2.gz HBDPCOOAKJBZNQ-IAGOWNOFSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085254205 1266945336 /nfs/dbraw/zinc/94/53/36/1266945336.db2.gz VPLUONNUAGHFMN-ZACQAIPSSA-N 2 0 341.927 2.876 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004431415 1266992487 /nfs/dbraw/zinc/99/24/87/1266992487.db2.gz XLWSASOHSOANFS-PMACEKPBSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004437083 1266994064 /nfs/dbraw/zinc/99/40/64/1266994064.db2.gz JCLGANLONUCIRC-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001004439680 1267002568 /nfs/dbraw/zinc/00/25/68/1267002568.db2.gz VVGFDHCMRMNWEW-LJQANCHMSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004441327 1267005786 /nfs/dbraw/zinc/00/57/86/1267005786.db2.gz IBFUFFQFBSPOQK-IPMKNSEASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001004445891 1267018677 /nfs/dbraw/zinc/01/86/77/1267018677.db2.gz JJSATOMJPNCZGS-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004455925 1267083802 /nfs/dbraw/zinc/08/38/02/1267083802.db2.gz BXYBKLMEOUQHNK-WOJBJXKFSA-N 2 0 345.531 2.586 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001004456732 1267084997 /nfs/dbraw/zinc/08/49/97/1267084997.db2.gz HDUFZNHIXOTYQD-WOJBJXKFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001004473173 1267120040 /nfs/dbraw/zinc/12/00/40/1267120040.db2.gz LDPCKNPSWLAJSY-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946623542 1267217174 /nfs/dbraw/zinc/21/71/74/1267217174.db2.gz LVGUEPLUARFNMD-ZCNNSNEGSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001004519893 1267233435 /nfs/dbraw/zinc/23/34/35/1267233435.db2.gz FYQIPJUTGYJSPA-GOSISDBHSA-N 2 0 345.487 2.844 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001004549419 1267275024 /nfs/dbraw/zinc/27/50/24/1267275024.db2.gz ZBOOISUMRKUSAW-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633530 1267390438 /nfs/dbraw/zinc/39/04/38/1267390438.db2.gz XVYFSCPAQVSBTI-OTWHNJEPSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004620848 1267416932 /nfs/dbraw/zinc/41/69/32/1267416932.db2.gz RLLIDYKSTHRAFH-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642963 1267449992 /nfs/dbraw/zinc/44/99/92/1267449992.db2.gz XOPFVGLNYUEVSC-IYWMVGAKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657384 1267574874 /nfs/dbraw/zinc/57/48/74/1267574874.db2.gz IPPBSSOXIOYFIG-HSALFYBXSA-N 2 0 347.547 2.853 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1 ZINC001085648698 1268133273 /nfs/dbraw/zinc/13/32/73/1268133273.db2.gz TYSOTOPSSRCATL-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776791 1268465073 /nfs/dbraw/zinc/46/50/73/1268465073.db2.gz SYFNWBVPGRLABF-KDURUIRLSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC[C@@H]2C1 ZINC000946776153 1268475245 /nfs/dbraw/zinc/47/52/45/1268475245.db2.gz FGJOGTYETJNIIS-BBWFWOEESA-N 2 0 342.487 2.576 20 30 EFEDRP C=CCNC(=O)[C@H]1CC12CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273127687 1268664644 /nfs/dbraw/zinc/66/46/44/1268664644.db2.gz FFYVHMRSBYQYBV-QGZVFWFLSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CCNC(=O)[C@@H]1CC12CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273127586 1268664673 /nfs/dbraw/zinc/66/46/73/1268664673.db2.gz FFYVHMRSBYQYBV-KRWDZBQOSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297713 1268687404 /nfs/dbraw/zinc/68/74/04/1268687404.db2.gz RWOKHPMGOCSWPH-SFHVURJKSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818397 1268862556 /nfs/dbraw/zinc/86/25/56/1268862556.db2.gz JOSOSPIUWNCRSV-IYWMVGAKSA-N 2 0 345.531 2.750 20 30 EFEDRP C#CCCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000825275406 1278502186 /nfs/dbraw/zinc/50/21/86/1278502186.db2.gz LHEIINPQXJKRLQ-UHFFFAOYSA-N 2 0 343.515 2.594 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033683921 1269791151 /nfs/dbraw/zinc/79/11/51/1269791151.db2.gz JPOKLUYENWKDNK-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086087323 1269867956 /nfs/dbraw/zinc/86/79/56/1269867956.db2.gz WLAJCEOCLHHNRQ-OKZBNKHCSA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086087322 1269868737 /nfs/dbraw/zinc/86/87/37/1269868737.db2.gz WLAJCEOCLHHNRQ-KURKYZTESA-N 2 0 333.520 2.702 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856772 1270402685 /nfs/dbraw/zinc/40/26/85/1270402685.db2.gz WGAAJEAUUYDWFI-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033930766 1270595338 /nfs/dbraw/zinc/59/53/38/1270595338.db2.gz AIVUPIIPUNJCAP-OALUTQOASA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955533 1270687106 /nfs/dbraw/zinc/68/71/06/1270687106.db2.gz ZNQOISAJOFZYRD-LJQANCHMSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005495509 1270795378 /nfs/dbraw/zinc/79/53/78/1270795378.db2.gz CXSSKBNLOVADEW-GOSISDBHSA-N 2 0 335.536 2.853 20 30 EFEDRP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034211854 1271366265 /nfs/dbraw/zinc/36/62/65/1271366265.db2.gz PCNCHKWMAIHKIB-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001034250520 1271426601 /nfs/dbraw/zinc/42/66/01/1271426601.db2.gz RIUXNSPWFMXQLR-IRXDYDNUSA-N 2 0 330.476 2.697 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086438075 1271483792 /nfs/dbraw/zinc/48/37/92/1271483792.db2.gz BJUUPALTKMRBMP-JCNLHEQBSA-N 2 0 349.906 2.641 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309917 1271625120 /nfs/dbraw/zinc/62/51/20/1271625120.db2.gz QRMDSZWZTBEQES-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C)[NH+](C)C ZINC001411212371 1272011961 /nfs/dbraw/zinc/01/19/61/1272011961.db2.gz BBYDWZNHHJYLGW-ROUUACIJSA-N 2 0 344.503 2.519 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287243 1272092692 /nfs/dbraw/zinc/09/26/92/1272092692.db2.gz OKZMZGSSORGVGU-LJQANCHMSA-N 2 0 341.540 2.506 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034539233 1272246051 /nfs/dbraw/zinc/24/60/51/1272246051.db2.gz YRTQWHQSTPWQRD-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005571129 1272458484 /nfs/dbraw/zinc/45/84/84/1272458484.db2.gz WQBUZKCAACFXFA-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001005580466 1272492632 /nfs/dbraw/zinc/49/26/32/1272492632.db2.gz GPMVQOCNLDHSDA-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001034674556 1272504601 /nfs/dbraw/zinc/50/46/01/1272504601.db2.gz JNHLPIIUMKVEDN-QBPKDAKJSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005638719 1272650699 /nfs/dbraw/zinc/65/06/99/1272650699.db2.gz CEZXILLESFEEQJ-LJQANCHMSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)CN1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005640340 1272655281 /nfs/dbraw/zinc/65/52/81/1272655281.db2.gz PRKBUCLMFXOERD-KRWDZBQOSA-N 2 0 341.927 2.782 20 30 EFEDRP C=CCN1C(=O)CCC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169130387 1272688659 /nfs/dbraw/zinc/68/86/59/1272688659.db2.gz NKJFIFIOIMHERC-AJYBTWMASA-N 2 0 331.504 2.645 20 30 EFEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001034714522 1272694058 /nfs/dbraw/zinc/69/40/58/1272694058.db2.gz DCKFVESCPQPRTQ-ZHALLVOQSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001034712162 1272705908 /nfs/dbraw/zinc/70/59/08/1272705908.db2.gz RYRCILVMDGJMLY-BRWVUGGUSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005663404 1272736709 /nfs/dbraw/zinc/73/67/09/1272736709.db2.gz ASZSWDSNNLCOJI-UHFFFAOYSA-N 2 0 326.444 2.837 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001108714656 1273394390 /nfs/dbraw/zinc/39/43/90/1273394390.db2.gz LQEDCCMUWITSSM-LNLFQRSKSA-N 2 0 345.531 2.632 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001108725779 1273413783 /nfs/dbraw/zinc/41/37/83/1273413783.db2.gz KYAZMCJLZABBNJ-WDYCEAGBSA-N 2 0 338.455 2.883 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720853 1273423278 /nfs/dbraw/zinc/42/32/78/1273423278.db2.gz TZDXCPJRNWELNT-JQHSSLGASA-N 2 0 338.455 2.883 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108775502 1273464647 /nfs/dbraw/zinc/46/46/47/1273464647.db2.gz AVFWCJVENTUJLZ-SXLOBPIMSA-N 2 0 341.499 2.907 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001108834567 1273526287 /nfs/dbraw/zinc/52/62/87/1273526287.db2.gz TYDLVKMAXZNZQM-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821350 1273529161 /nfs/dbraw/zinc/52/91/61/1273529161.db2.gz IHPBRWBXQHKPHL-OTWHNJEPSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184377 1273751796 /nfs/dbraw/zinc/75/17/96/1273751796.db2.gz JHIMFVXDCLZJRX-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035199970 1273769786 /nfs/dbraw/zinc/76/97/86/1273769786.db2.gz SKAHNOYZTMHXDK-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035187158 1273793071 /nfs/dbraw/zinc/79/30/71/1273793071.db2.gz SJPOWZYGBVPNTK-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CCC)CC2 ZINC001035190623 1273801263 /nfs/dbraw/zinc/80/12/63/1273801263.db2.gz GJPFTSRNYYVRCO-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035226394 1273847617 /nfs/dbraw/zinc/84/76/17/1273847617.db2.gz HVBHFGYIHITNLE-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035217136 1273879011 /nfs/dbraw/zinc/87/90/11/1273879011.db2.gz OGYOTBDISSLAMY-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238549 1273902655 /nfs/dbraw/zinc/90/26/55/1273902655.db2.gz DNFKCCNGAXMEAS-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035244511 1273916543 /nfs/dbraw/zinc/91/65/43/1273916543.db2.gz PTVLCSBKBWCTBS-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035244494 1273916723 /nfs/dbraw/zinc/91/67/23/1273916723.db2.gz PDNBJUFUNRFKFU-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471621 1274322249 /nfs/dbraw/zinc/32/22/49/1274322249.db2.gz CKGAYIHAQWNMFA-SQNIBIBYSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035706433 1274386694 /nfs/dbraw/zinc/38/66/94/1274386694.db2.gz LLZPDGNZTWFUQP-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035720169 1274406344 /nfs/dbraw/zinc/40/63/44/1274406344.db2.gz HEGTYCMSUMGSEZ-LJQANCHMSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001035737042 1274428936 /nfs/dbraw/zinc/42/89/36/1274428936.db2.gz POJSATMJMBVMNW-UHFFFAOYSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741678 1274434231 /nfs/dbraw/zinc/43/42/31/1274434231.db2.gz QLIYAJKLJACNKP-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741573 1274434634 /nfs/dbraw/zinc/43/46/34/1274434634.db2.gz NNELMWBRMDNLIC-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)c1occc1C[NH+](C)C)CC2 ZINC001035776179 1274502451 /nfs/dbraw/zinc/50/24/51/1274502451.db2.gz CPQLKOVYESQEFS-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836872 1274574528 /nfs/dbraw/zinc/57/45/28/1274574528.db2.gz OPEPIHDETXJLSX-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859687 1274614588 /nfs/dbraw/zinc/61/45/88/1274614588.db2.gz WSGMMRSPMTUFCX-HDICACEKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879928 1274760732 /nfs/dbraw/zinc/76/07/32/1274760732.db2.gz SDDKBGWGSVXDGN-YRXWBPOGSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001036048718 1274968339 /nfs/dbraw/zinc/96/83/39/1274968339.db2.gz NMVCHKJEUMYHOL-HOCLYGCPSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC001036093535 1275012919 /nfs/dbraw/zinc/01/29/19/1275012919.db2.gz LXCRLLULDRQLPZ-MLGOLLRUSA-N 2 0 332.835 2.527 20 30 EFEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547824 1275114451 /nfs/dbraw/zinc/11/44/51/1275114451.db2.gz RXNWVRJNYIISOD-ZJOUEHCJSA-N 2 0 347.547 2.594 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551669 1275126772 /nfs/dbraw/zinc/12/67/72/1275126772.db2.gz KTQQVXMCAZNPKS-FPOVZHCZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001112551983 1275128252 /nfs/dbraw/zinc/12/82/52/1275128252.db2.gz ZJKVQCXDKBFZHN-FPOVZHCZSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001036127999 1275134636 /nfs/dbraw/zinc/13/46/36/1275134636.db2.gz MPJPYLHTJGMVJO-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001036127998 1275134826 /nfs/dbraw/zinc/13/48/26/1275134826.db2.gz MPJPYLHTJGMVJO-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001112561552 1275178436 /nfs/dbraw/zinc/17/84/36/1275178436.db2.gz GFWWTYFHSQFXQJ-FPOVZHCZSA-N 2 0 347.547 2.740 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001036216755 1275284356 /nfs/dbraw/zinc/28/43/56/1275284356.db2.gz DYUAPZQYCYGEBO-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001036302567 1275383807 /nfs/dbraw/zinc/38/38/07/1275383807.db2.gz JKUGAIVFFDVXKJ-KDOFPFPSSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001036304876 1275388630 /nfs/dbraw/zinc/38/86/30/1275388630.db2.gz RINWGCOXARFSHI-RDTXWAMCSA-N 2 0 349.906 2.941 20 30 EFEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2ccc(C#N)cc2)C1 ZINC000746666876 1275738561 /nfs/dbraw/zinc/73/85/61/1275738561.db2.gz BGLGHYGBWIFAJE-IBGZPJMESA-N 2 0 327.472 2.991 20 30 EFEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000746674668 1275749559 /nfs/dbraw/zinc/74/95/59/1275749559.db2.gz IFYNXGJVKJUPAU-IBGZPJMESA-N 2 0 331.460 2.522 20 30 EFEDRP C#Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000787771648 1275904639 /nfs/dbraw/zinc/90/46/39/1275904639.db2.gz CYFYQUWGPASRCR-JOCHJYFZSA-N 2 0 333.479 2.746 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965610 1276352201 /nfs/dbraw/zinc/35/22/01/1276352201.db2.gz LIKZWIOAVCVXJA-IEBWSBKVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001170896616 1276502246 /nfs/dbraw/zinc/50/22/46/1276502246.db2.gz YEJBIOCIMBJZNC-YJBOKZPZSA-N 2 0 347.507 2.631 20 30 EFEDRP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000819016480 1276591017 /nfs/dbraw/zinc/59/10/17/1276591017.db2.gz ZQZOHYQIBHGWND-RBBKRZOGSA-N 2 0 349.478 2.746 20 30 EFEDRP CC[NH+]=C(NCC1CCSCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000086899637 1276859837 /nfs/dbraw/zinc/85/98/37/1276859837.db2.gz WRCPBJWQCJDESQ-QGZVFWFLSA-N 2 0 338.565 2.655 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013994 1276947057 /nfs/dbraw/zinc/94/70/57/1276947057.db2.gz XJEWPYOQNXBAMS-RUYXUALKSA-N 2 0 335.536 2.735 20 30 EFEDRP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597522 1278044939 /nfs/dbraw/zinc/04/49/39/1278044939.db2.gz JWKDGCNXNULPBZ-VQTJNVASSA-N 2 0 346.434 2.718 20 30 EFEDRP C[NH+](C)CCN1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170375913 1279075536 /nfs/dbraw/zinc/07/55/36/1279075536.db2.gz HPXRDPSEEDDFNF-UHFFFAOYSA-N 2 0 340.515 2.570 20 30 EFEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001171194417 1279740685 /nfs/dbraw/zinc/74/06/85/1279740685.db2.gz JIJBCZIDUAKJBD-QGZVFWFLSA-N 2 0 341.499 2.970 20 30 EFEDRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001175314973 1287398690 /nfs/dbraw/zinc/39/86/90/1287398690.db2.gz DAWGZDOROIZGCW-LPHOPBHVSA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236044 1280292688 /nfs/dbraw/zinc/29/26/88/1280292688.db2.gz KMDZLXXSALCDHA-IAGOWNOFSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134958802 1287419456 /nfs/dbraw/zinc/41/94/56/1287419456.db2.gz GHQXKEKUOKYKEW-CVEARBPZSA-N 2 0 341.459 2.720 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584831 1280940111 /nfs/dbraw/zinc/94/01/11/1280940111.db2.gz VFSJAAVGGVVYEN-ZWKOTPCHSA-N 2 0 345.531 2.705 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610115 1280950761 /nfs/dbraw/zinc/95/07/61/1280950761.db2.gz HEOIZFHORZQVFR-RTBURBONSA-N 2 0 347.547 2.951 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610114 1280951145 /nfs/dbraw/zinc/95/11/45/1280951145.db2.gz HEOIZFHORZQVFR-RBUKOAKNSA-N 2 0 347.547 2.951 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610137 1280951321 /nfs/dbraw/zinc/95/13/21/1280951321.db2.gz HTMXLDDYMIINLP-QZTJIDSGSA-N 2 0 335.536 2.641 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573311 1281209301 /nfs/dbraw/zinc/20/93/01/1281209301.db2.gz ZYIOPFZFWCGMCP-LJQANCHMSA-N 2 0 347.547 2.833 20 30 EFEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC(CC3CC[NH+](CC)CC3)CC2)C1 ZINC001161048143 1281231808 /nfs/dbraw/zinc/23/18/08/1281231808.db2.gz SGUFYGHYMYYSJY-FQEVSTJZSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658687 1281231975 /nfs/dbraw/zinc/23/19/75/1281231975.db2.gz XKRDTUXNJFHXDE-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658688 1281232426 /nfs/dbraw/zinc/23/24/26/1281232426.db2.gz XKRDTUXNJFHXDE-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001147780366 1281281595 /nfs/dbraw/zinc/28/15/95/1281281595.db2.gz JLXRPIIQGXASOY-GOSISDBHSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175564516 1287485483 /nfs/dbraw/zinc/48/54/83/1287485483.db2.gz CFWWWWJIMZWFGH-HNNXBMFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170784273 1287486013 /nfs/dbraw/zinc/48/60/13/1287486013.db2.gz HRYZUHVDNMWXCB-RTBURBONSA-N 2 0 347.547 2.929 20 30 EFEDRP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147846631 1281319151 /nfs/dbraw/zinc/31/91/51/1281319151.db2.gz HFQFJDBECPKBJJ-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP CCCCCCC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196324 1281617447 /nfs/dbraw/zinc/61/74/47/1281617447.db2.gz AGPVPUGNRABLBI-UHFFFAOYSA-N 2 0 329.448 2.557 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737369 1281684255 /nfs/dbraw/zinc/68/42/55/1281684255.db2.gz KHOWBOUENSKTEX-GGPKGHCWSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738109 1281686789 /nfs/dbraw/zinc/68/67/89/1281686789.db2.gz QLYGOGZOWPUVAH-QFUCXCTJSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657161 1281717551 /nfs/dbraw/zinc/71/75/51/1281717551.db2.gz OQFVYJKTYLKDKW-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900309 1281800269 /nfs/dbraw/zinc/80/02/69/1281800269.db2.gz ZCOKIXADLUQJHM-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086910362 1281913277 /nfs/dbraw/zinc/91/32/77/1281913277.db2.gz RQJLFXRMVIIYMF-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947228 1281986568 /nfs/dbraw/zinc/98/65/68/1281986568.db2.gz SCRXQJIQEBFRKY-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928047 1281989751 /nfs/dbraw/zinc/98/97/51/1281989751.db2.gz UOIJZLNLDYAKSA-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928151 1281990119 /nfs/dbraw/zinc/99/01/19/1281990119.db2.gz WPQXSODELVMYSK-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001086928828 1281991966 /nfs/dbraw/zinc/99/19/66/1281991966.db2.gz PJSLTDRVDMFJQE-ZWKOTPCHSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086957982 1282030038 /nfs/dbraw/zinc/03/00/38/1282030038.db2.gz ABEWJRPIWDKTCE-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958700 1282033349 /nfs/dbraw/zinc/03/33/49/1282033349.db2.gz YYLQVHRGHKSILE-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001175766842 1287546596 /nfs/dbraw/zinc/54/65/96/1287546596.db2.gz AZGYIRXAKJPCNT-QGZVFWFLSA-N 2 0 344.503 2.665 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071235 1282369430 /nfs/dbraw/zinc/36/94/30/1282369430.db2.gz MLTOAUOBLKBHSX-HBFSDRIKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071339 1282369485 /nfs/dbraw/zinc/36/94/85/1282369485.db2.gz RPKYQOXJSPYESA-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP Cc1ccc(NC(=[NH2+])NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000104180673 1282437688 /nfs/dbraw/zinc/43/76/88/1282437688.db2.gz IHIPCVLYMFDUBQ-UHFFFAOYSA-N 2 0 326.444 2.862 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190678 1282449659 /nfs/dbraw/zinc/44/96/59/1282449659.db2.gz UGCZJVBJRFYKKB-GGPKGHCWSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001092299868 1282548554 /nfs/dbraw/zinc/54/85/54/1282548554.db2.gz KHGWSHPWSVJYRA-NQIIRXRSSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001135102062 1287598346 /nfs/dbraw/zinc/59/83/46/1287598346.db2.gz WFUPSRCOMKQETR-IRXDYDNUSA-N 2 0 331.504 2.853 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676685 1282941921 /nfs/dbraw/zinc/94/19/21/1282941921.db2.gz IUMKRXHEDQGEMV-LMMKCTJWSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092756609 1283005794 /nfs/dbraw/zinc/00/57/94/1283005794.db2.gz FTLCGFQTARQZMC-IUODEOHRSA-N 2 0 346.862 2.693 20 30 EFEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141142 1283066839 /nfs/dbraw/zinc/06/68/39/1283066839.db2.gz OKROYEDZMQPPRF-DLBZAZTESA-N 2 0 333.520 2.632 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141528 1283068040 /nfs/dbraw/zinc/06/80/40/1283068040.db2.gz RJXUJBLIPOIKKP-ZWKOTPCHSA-N 2 0 344.503 2.843 20 30 EFEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206093 1283155550 /nfs/dbraw/zinc/15/55/50/1283155550.db2.gz DQKLLJNYIZNZNI-ZWKOTPCHSA-N 2 0 333.520 2.633 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731405 1283293135 /nfs/dbraw/zinc/29/31/35/1283293135.db2.gz SSBZVZZFRYISHU-RDJZCZTQSA-N 2 0 347.528 2.922 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)CC[C@@H]21 ZINC001036731602 1283293857 /nfs/dbraw/zinc/29/38/57/1283293857.db2.gz WNQABHBDEWRPIW-ZBFHGGJFSA-N 2 0 333.501 2.532 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036754255 1283419449 /nfs/dbraw/zinc/41/94/49/1283419449.db2.gz CQSNRDFCBXTPNA-HKUYNNGSSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@H]21 ZINC001036754516 1283421175 /nfs/dbraw/zinc/42/11/75/1283421175.db2.gz HLXXQRWVHHNOLA-FUHWJXTLSA-N 2 0 333.520 2.748 20 30 EFEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420605 1283515786 /nfs/dbraw/zinc/51/57/86/1283515786.db2.gz VQXVWGSJIYBVQS-RTBURBONSA-N 2 0 335.536 2.881 20 30 EFEDRP C=C(C)C[NH2+]CCCCCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001179000495 1289017582 /nfs/dbraw/zinc/01/75/82/1289017582.db2.gz HQCMANRJHUXTEA-UHFFFAOYSA-N 2 0 341.459 2.723 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773720 1283554668 /nfs/dbraw/zinc/55/46/68/1283554668.db2.gz RWGNJLXYOSQGHU-RHSMWYFYSA-N 2 0 344.846 2.623 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773781 1283555458 /nfs/dbraw/zinc/55/54/58/1283555458.db2.gz SVIGVVUCPGVWQI-QFBILLFUSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)CC[C@H]21 ZINC001036779222 1283607228 /nfs/dbraw/zinc/60/72/28/1283607228.db2.gz GVHYQGSQDOHBGY-UYAOXDASSA-N 2 0 341.499 2.513 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518638 1283779788 /nfs/dbraw/zinc/77/97/88/1283779788.db2.gz LZVJSNCXMUFHNJ-UYAOXDASSA-N 2 0 347.547 2.737 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518634 1283779862 /nfs/dbraw/zinc/77/98/62/1283779862.db2.gz LZVJSNCXMUFHNJ-ICSRJNTNSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093361298 1283784446 /nfs/dbraw/zinc/78/44/46/1283784446.db2.gz JVIIEGOWBWLQTB-RBUKOAKNSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001093361539 1283784702 /nfs/dbraw/zinc/78/47/02/1283784702.db2.gz LPWXWOZHGXZKQG-OALUTQOASA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001093374025 1283818324 /nfs/dbraw/zinc/81/83/24/1283818324.db2.gz XJOBZMMMFKHGED-QZTJIDSGSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001093377039 1283828677 /nfs/dbraw/zinc/82/86/77/1283828677.db2.gz FOEJCJRRVYREGX-PXNSSMCTSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093382849 1283853467 /nfs/dbraw/zinc/85/34/67/1283853467.db2.gz FDAKAEYABFWGHR-RTBURBONSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820872 1284060190 /nfs/dbraw/zinc/06/01/90/1284060190.db2.gz QDJDZZHRORZVBT-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132832498 1284361554 /nfs/dbraw/zinc/36/15/54/1284361554.db2.gz XNZXUXANBXZSOI-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132869523 1284403903 /nfs/dbraw/zinc/40/39/03/1284403903.db2.gz JVLZTNGFRWFDEA-GDBMZVCRSA-N 2 0 335.517 2.684 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132870128 1284404917 /nfs/dbraw/zinc/40/49/17/1284404917.db2.gz QLVQEJWMSWEPDV-NVXWUHKLSA-N 2 0 347.528 2.521 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC001036867466 1284441745 /nfs/dbraw/zinc/44/17/45/1284441745.db2.gz VPLNLMONNDZTTJ-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001176112574 1287713755 /nfs/dbraw/zinc/71/37/55/1287713755.db2.gz WDZDGSUBUAVSAE-KRWDZBQOSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132932137 1284485138 /nfs/dbraw/zinc/48/51/38/1284485138.db2.gz HAKGPTFHPCZOAG-QZTJIDSGSA-N 2 0 344.503 2.558 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132932646 1284485285 /nfs/dbraw/zinc/48/52/85/1284485285.db2.gz KOWNKXLUWVOPAK-UKRRQHHQSA-N 2 0 329.916 2.543 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132938730 1284492690 /nfs/dbraw/zinc/49/26/90/1284492690.db2.gz YKKAMCQRJTZZSO-RDJZCZTQSA-N 2 0 340.471 2.907 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120255 1287718117 /nfs/dbraw/zinc/71/81/17/1287718117.db2.gz MBKXWYVHOGLPOH-AZUAARDMSA-N 2 0 343.515 2.967 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973056 1284531947 /nfs/dbraw/zinc/53/19/47/1284531947.db2.gz HUTDUZRNZWYCJI-CJNGLKHVSA-N 2 0 346.862 2.775 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001132973058 1284532403 /nfs/dbraw/zinc/53/24/03/1284532403.db2.gz HUTDUZRNZWYCJI-CZUORRHYSA-N 2 0 346.862 2.775 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001176120258 1287718743 /nfs/dbraw/zinc/71/87/43/1287718743.db2.gz MBKXWYVHOGLPOH-UYAOXDASSA-N 2 0 343.515 2.967 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132973736 1284533622 /nfs/dbraw/zinc/53/36/22/1284533622.db2.gz PWBMJJPVKZNCAV-RDJZCZTQSA-N 2 0 326.444 2.598 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953173 1284534884 /nfs/dbraw/zinc/53/48/84/1284534884.db2.gz BZKSGHUNAPZEEW-CJNGLKHVSA-N 2 0 346.862 2.775 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953389 1284535199 /nfs/dbraw/zinc/53/51/99/1284535199.db2.gz FMFWKQPWPFZSNG-AEFFLSMTSA-N 2 0 340.471 2.988 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001132953393 1284535667 /nfs/dbraw/zinc/53/56/67/1284535667.db2.gz FMFWKQPWPFZSNG-SJLPKXTDSA-N 2 0 340.471 2.988 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001132955670 1284537697 /nfs/dbraw/zinc/53/76/97/1284537697.db2.gz UFNAUJDTJPCISJ-WMZOPIPTSA-N 2 0 340.471 2.988 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133015101 1284623354 /nfs/dbraw/zinc/62/33/54/1284623354.db2.gz AIJMWLVFIVMDPN-RTBURBONSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cncn1C ZINC001176174272 1287726151 /nfs/dbraw/zinc/72/61/51/1287726151.db2.gz DZGYIGRLWGJSBF-QGZVFWFLSA-N 2 0 334.508 2.974 20 30 EFEDRP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cncn1C ZINC001176174271 1287726876 /nfs/dbraw/zinc/72/68/76/1287726876.db2.gz DZGYIGRLWGJSBF-KRWDZBQOSA-N 2 0 334.508 2.974 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133010954 1284652388 /nfs/dbraw/zinc/65/23/88/1284652388.db2.gz DPIFROMKWSLZSG-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133064435 1284729547 /nfs/dbraw/zinc/72/95/47/1284729547.db2.gz MQUCDCMMCPIMBK-WBVHZDCISA-N 2 0 333.476 2.605 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001133063860 1284729712 /nfs/dbraw/zinc/72/97/12/1284729712.db2.gz JITVKXZLVQGEGC-AEFFLSMTSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133063861 1284730231 /nfs/dbraw/zinc/73/02/31/1284730231.db2.gz JITVKXZLVQGEGC-FUHWJXTLSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133063863 1284730323 /nfs/dbraw/zinc/73/03/23/1284730323.db2.gz JITVKXZLVQGEGC-WMZOPIPTSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001133065214 1284731554 /nfs/dbraw/zinc/73/15/54/1284731554.db2.gz VEIQGARVIJAEDB-DOTOQJQBSA-N 2 0 333.476 2.605 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121978 1284831230 /nfs/dbraw/zinc/83/12/30/1284831230.db2.gz NCNQZMJGAYCEED-ROUUACIJSA-N 2 0 335.536 2.759 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@H]1C ZINC001133185667 1284952350 /nfs/dbraw/zinc/95/23/50/1284952350.db2.gz HBFQPCBMEPYFDZ-MOPGFXCFSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133196179 1284974245 /nfs/dbraw/zinc/97/42/45/1284974245.db2.gz TXZYGVWGZREOBS-RBUKOAKNSA-N 2 0 335.536 2.759 20 30 EFEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001133246280 1285048104 /nfs/dbraw/zinc/04/81/04/1285048104.db2.gz TUKIIMNRMURLDQ-RBUKOAKNSA-N 2 0 335.536 2.596 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001133249486 1285052127 /nfs/dbraw/zinc/05/21/27/1285052127.db2.gz GCPBWUYUSJAVEB-XLIONFOSSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133249872 1285052995 /nfs/dbraw/zinc/05/29/95/1285052995.db2.gz LOOZZODFEFTCLA-DLBZAZTESA-N 2 0 344.503 2.802 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001133250354 1285054971 /nfs/dbraw/zinc/05/49/71/1285054971.db2.gz UCKJUQCJSALQLC-IRXDYDNUSA-N 2 0 344.503 2.802 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)CCC[C@@H]12 ZINC001094434023 1285078894 /nfs/dbraw/zinc/07/88/94/1285078894.db2.gz NQKONOWQXNLFJL-SFHLNBCPSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133262886 1285079344 /nfs/dbraw/zinc/07/93/44/1285079344.db2.gz NCTWGLPXIHOGHA-ZBFHGGJFSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094498105 1285161765 /nfs/dbraw/zinc/16/17/65/1285161765.db2.gz YDXYLKIJXVXNJS-PNYFIKQUSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001133337226 1285214927 /nfs/dbraw/zinc/21/49/27/1285214927.db2.gz KKOBLSVWJXRHDH-AZUAARDMSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133338235 1285218156 /nfs/dbraw/zinc/21/81/56/1285218156.db2.gz UHFSPPPNJJBVGY-NVXWUHKLSA-N 2 0 341.927 2.689 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001133358668 1285255471 /nfs/dbraw/zinc/25/54/71/1285255471.db2.gz CGQGCUROODFLHH-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001133392963 1285336471 /nfs/dbraw/zinc/33/64/71/1285336471.db2.gz VQQFGXUIMOIDQT-GOSISDBHSA-N 2 0 349.906 2.929 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)CC[C@@H]21 ZINC001036902141 1285380888 /nfs/dbraw/zinc/38/08/88/1285380888.db2.gz FTIDTFXQGIFPEI-QUCCMNQESA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904109 1285391828 /nfs/dbraw/zinc/39/18/28/1285391828.db2.gz MQXHLORBNZFBRD-IRXDYDNUSA-N 2 0 339.911 2.538 20 30 EFEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001171578848 1285658474 /nfs/dbraw/zinc/65/84/74/1285658474.db2.gz JQJFXZSEBRULJX-UHFFFAOYSA-N 2 0 349.906 2.519 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001171629266 1285661736 /nfs/dbraw/zinc/66/17/36/1285661736.db2.gz JPPXWOSODDQWBZ-OAHLLOKOSA-N 2 0 326.444 2.544 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001171618276 1285681029 /nfs/dbraw/zinc/68/10/29/1285681029.db2.gz HKCDHOJDEKRERN-KRWDZBQOSA-N 2 0 332.492 2.749 20 30 EFEDRP CC[C@H](C(=O)NCC[NH2+]CC#Cc1ccccc1Cl)[NH+](CC)CC ZINC001133684117 1285758126 /nfs/dbraw/zinc/75/81/26/1285758126.db2.gz DCACWBPJMGVTLB-GOSISDBHSA-N 2 0 349.906 2.518 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001171924721 1285926678 /nfs/dbraw/zinc/92/66/78/1285926678.db2.gz SQDXXOCHEFADNR-SFHVURJKSA-N 2 0 335.536 2.786 20 30 EFEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(c3ccc(C#N)cc3F)CC1)C2 ZINC001172129271 1286012376 /nfs/dbraw/zinc/01/23/76/1286012376.db2.gz XXJWEFYOGPWJFG-PIIMJCKOSA-N 2 0 342.462 2.835 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114738 1286025704 /nfs/dbraw/zinc/02/57/04/1286025704.db2.gz SRIOMXCIUKVFND-PIIMJCKOSA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172113957 1286025712 /nfs/dbraw/zinc/02/57/12/1286025712.db2.gz NDMOPBVFKLUVMB-BCDXTJNWSA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172120865 1286030297 /nfs/dbraw/zinc/03/02/97/1286030297.db2.gz GPTOQUIKQLTZEF-MFKWGIFDSA-N 2 0 334.504 2.828 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCOCC2)CC1 ZINC001172300784 1286088779 /nfs/dbraw/zinc/08/87/79/1286088779.db2.gz ZHHRWKWDBFUQHL-KRWDZBQOSA-N 2 0 341.499 2.970 20 30 EFEDRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172320615 1286098448 /nfs/dbraw/zinc/09/84/48/1286098448.db2.gz XBSSWXRNNGWWAS-IBGZPJMESA-N 2 0 342.531 2.839 20 30 EFEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172296336 1286109335 /nfs/dbraw/zinc/10/93/35/1286109335.db2.gz HGZKVAUYFBOXAT-YOEHRIQHSA-N 2 0 346.475 2.669 20 30 EFEDRP CCCCCCC[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133922118 1286118586 /nfs/dbraw/zinc/11/85/86/1286118586.db2.gz QHVSQMNPPXTAGV-UHFFFAOYSA-N 2 0 333.520 2.837 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCO[C@@H](C)CC)CC1 ZINC001172350345 1286120582 /nfs/dbraw/zinc/12/05/82/1286120582.db2.gz XTNGPVSHVRNACY-PMACEKPBSA-N 2 0 337.552 2.872 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCO[C@H](C)CC)CC1 ZINC001172350350 1286120887 /nfs/dbraw/zinc/12/08/87/1286120887.db2.gz XTNGPVSHVRNACY-WOJBJXKFSA-N 2 0 337.552 2.872 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001179134059 1289053038 /nfs/dbraw/zinc/05/30/38/1289053038.db2.gz FYDFWBIACPPBFN-QGZVFWFLSA-N 2 0 341.927 2.880 20 30 EFEDRP C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001135372811 1287978823 /nfs/dbraw/zinc/97/88/23/1287978823.db2.gz STEXOKIRLSNYND-HOTGVXAUSA-N 2 0 349.906 2.516 20 30 EFEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001135372810 1287979051 /nfs/dbraw/zinc/97/90/51/1287979051.db2.gz STEXOKIRLSNYND-CVEARBPZSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176736800 1288087635 /nfs/dbraw/zinc/08/76/35/1288087635.db2.gz FIJVREGUTHONLT-MRXNPFEDSA-N 2 0 329.916 2.880 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176739630 1288090031 /nfs/dbraw/zinc/09/00/31/1288090031.db2.gz XTDVQLWTPSLRHL-QGZVFWFLSA-N 2 0 329.488 2.650 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001176745670 1288092486 /nfs/dbraw/zinc/09/24/86/1288092486.db2.gz CEXUSKBDDPRTPL-QGZVFWFLSA-N 2 0 329.488 2.650 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086739955 1288095012 /nfs/dbraw/zinc/09/50/12/1288095012.db2.gz BDEFKYUFTCAICV-GVDBMIGSSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165728393 1312671300 /nfs/dbraw/zinc/67/13/00/1312671300.db2.gz QRMVMVQSQJXSLX-HOTGVXAUSA-N 2 0 339.911 2.632 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001177320037 1288387633 /nfs/dbraw/zinc/38/76/33/1288387633.db2.gz YXISKVWMNPGDOS-HXUWFJFHSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086784871 1288394103 /nfs/dbraw/zinc/39/41/03/1288394103.db2.gz YYHGHKDSISQIDB-SCTDSRPQSA-N 2 0 333.520 2.844 20 30 EFEDRP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001177341733 1288400564 /nfs/dbraw/zinc/40/05/64/1288400564.db2.gz BIDBMGXKQZGCRA-FQEVSTJZSA-N 2 0 347.547 2.883 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001086788171 1288405098 /nfs/dbraw/zinc/40/50/98/1288405098.db2.gz CXTZTCWOPQHJTG-DZGCQCFKSA-N 2 0 339.867 2.582 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001177413014 1288422685 /nfs/dbraw/zinc/42/26/85/1288422685.db2.gz NIKXWFXHXUBRGG-LJQANCHMSA-N 2 0 335.536 2.739 20 30 EFEDRP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177416101 1288424478 /nfs/dbraw/zinc/42/44/78/1288424478.db2.gz UJFFMHUHXZXPPS-UHFFFAOYSA-N 2 0 347.547 2.740 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177416268 1288424584 /nfs/dbraw/zinc/42/45/84/1288424584.db2.gz YIVZJRNLZIBFBM-UHFFFAOYSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001201839999 1297123720 /nfs/dbraw/zinc/12/37/20/1297123720.db2.gz NJXFZJVGBGIFPZ-UHFFFAOYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001177466883 1288431514 /nfs/dbraw/zinc/43/15/14/1288431514.db2.gz IAOAWOPDCDTZCT-IBGZPJMESA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001177481105 1288443390 /nfs/dbraw/zinc/44/33/90/1288443390.db2.gz ISEGRTPLJQCQTN-UHFFFAOYSA-N 2 0 341.927 2.833 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCC[NH+]1CCCC1 ZINC001177492463 1288448663 /nfs/dbraw/zinc/44/86/63/1288448663.db2.gz IUGDHEPIRUFAEB-UHFFFAOYSA-N 2 0 347.547 2.884 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165736116 1312672384 /nfs/dbraw/zinc/67/23/84/1312672384.db2.gz HRVLZOQUKKYMHE-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001135902737 1288571641 /nfs/dbraw/zinc/57/16/41/1288571641.db2.gz YIVSCOAXZUNZIP-LSDHHAIUSA-N 2 0 341.927 2.734 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353311 1302763357 /nfs/dbraw/zinc/76/33/57/1302763357.db2.gz PPJXWMBORMBPBI-XWTMOSNGSA-N 2 0 341.515 2.683 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC001114353443 1302765576 /nfs/dbraw/zinc/76/55/76/1302765576.db2.gz SBRXHBKBPLNYFE-SIXLDLHFSA-N 2 0 347.528 2.824 20 30 EFEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)CCCC[NH+](C)C ZINC001135965997 1288689268 /nfs/dbraw/zinc/68/92/68/1288689268.db2.gz HGCCDCPYUAGQTE-IAGOWNOFSA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178689491 1288872110 /nfs/dbraw/zinc/87/21/10/1288872110.db2.gz ZGPSCVBOOPRORL-QGZVFWFLSA-N 2 0 343.943 2.983 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716528 1288885685 /nfs/dbraw/zinc/88/56/85/1288885685.db2.gz RXNRNVSTFQXLEE-UHOSZYNNSA-N 2 0 333.520 2.654 20 30 EFEDRP CC[NH+](CC)Cc1cncc(NC(=N)c2ccc(C(=O)OC)cc2)c1 ZINC001170983983 1288932990 /nfs/dbraw/zinc/93/29/90/1288932990.db2.gz IRVIJQBJPHLOBB-UHFFFAOYSA-N 2 0 340.427 2.747 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539382 1289183629 /nfs/dbraw/zinc/18/36/29/1289183629.db2.gz WOPJSBPHIQMKNS-BXWFABGCSA-N 2 0 339.499 2.744 20 30 EFEDRP C=CC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001179585085 1289202576 /nfs/dbraw/zinc/20/25/76/1289202576.db2.gz CEADZTSIPWCHBZ-SFHVURJKSA-N 2 0 327.488 2.651 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001179719505 1289245025 /nfs/dbraw/zinc/24/50/25/1289245025.db2.gz IGTOAWOWYDTLSV-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Br)C[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179846770 1289284895 /nfs/dbraw/zinc/28/48/95/1289284895.db2.gz UQPWYPRHXOJPCT-UHFFFAOYSA-N 2 0 348.329 2.503 20 30 EFEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001180039686 1289392213 /nfs/dbraw/zinc/39/22/13/1289392213.db2.gz HCUNZPORQAYHMV-LJQANCHMSA-N 2 0 329.488 2.579 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926858 1312705582 /nfs/dbraw/zinc/70/55/82/1312705582.db2.gz GZBZTTWZCAVCDG-MRXNPFEDSA-N 2 0 341.927 2.735 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C\CCC)[C@@H]2C)CC1 ZINC001180204611 1289442399 /nfs/dbraw/zinc/44/23/99/1289442399.db2.gz VSUVSTYYUFKODD-LGYYHMKYSA-N 2 0 345.531 2.657 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccccc1C[NH+](C)C ZINC001180365991 1289514050 /nfs/dbraw/zinc/51/40/50/1289514050.db2.gz SOZJXCKJVVJGEU-UHFFFAOYSA-N 2 0 329.488 2.651 20 30 EFEDRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001180369784 1289516773 /nfs/dbraw/zinc/51/67/73/1289516773.db2.gz XKQBEMDAFZYZFF-UHFFFAOYSA-N 2 0 344.503 2.665 20 30 EFEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290981 1289705677 /nfs/dbraw/zinc/70/56/77/1289705677.db2.gz HMYTYJHCVZQJMP-MJGOQNOKSA-N 2 0 325.456 2.684 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873293307 1289706822 /nfs/dbraw/zinc/70/68/22/1289706822.db2.gz YYNNUWSPVMFTPU-QFBILLFUSA-N 2 0 328.456 2.508 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001181468408 1289799911 /nfs/dbraw/zinc/79/99/11/1289799911.db2.gz XLCJBCRRVNFVCA-YLJYHZDGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441143 1289807672 /nfs/dbraw/zinc/80/76/72/1289807672.db2.gz MJDGMKAMSHHHHP-QWFCFKBJSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181672360 1289898672 /nfs/dbraw/zinc/89/86/72/1289898672.db2.gz WQMZUQYHRFTKJX-UWWQBHOKSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001181671857 1289899088 /nfs/dbraw/zinc/89/90/88/1289899088.db2.gz RKMNXSDXNGCDNA-WSTZPKSXSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001181720703 1289914709 /nfs/dbraw/zinc/91/47/09/1289914709.db2.gz NBHTYAHPHLYTDR-WSTZPKSXSA-N 2 0 335.536 2.615 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(CC)CC)C1 ZINC001181763751 1289932445 /nfs/dbraw/zinc/93/24/45/1289932445.db2.gz JEHQKTDLMKMMDX-SLYNCCJLSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001181736295 1289938858 /nfs/dbraw/zinc/93/88/58/1289938858.db2.gz KITJDSFUUDOLTA-MBOZVWFJSA-N 2 0 335.536 2.900 20 30 EFEDRP Cn1cc(C[NH2+][C@@]23CC[C@@](Nc4cc[nH+]cc4)(C2)CCC3)cc1C#N ZINC001277693792 1312749629 /nfs/dbraw/zinc/74/96/29/1312749629.db2.gz MMBYWEQHJYHBKV-VQTJNVASSA-N 2 0 335.455 2.761 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001166380622 1312769130 /nfs/dbraw/zinc/76/91/30/1312769130.db2.gz CFUDCONRCYYAHI-UHFFFAOYSA-N 2 0 335.536 2.951 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2ccnc2C)C[C@H]1C ZINC001182896679 1290271908 /nfs/dbraw/zinc/27/19/08/1290271908.db2.gz CDGDADGOAXABPV-VQIMIIECSA-N 2 0 332.492 2.622 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166390849 1312770120 /nfs/dbraw/zinc/77/01/20/1312770120.db2.gz OZZWRQTUERFBKP-UHFFFAOYSA-N 2 0 333.520 2.540 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182986321 1290291080 /nfs/dbraw/zinc/29/10/80/1290291080.db2.gz LXHLRKLZTIRLPO-UYAOXDASSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183517178 1290352695 /nfs/dbraw/zinc/35/26/95/1290352695.db2.gz SWVBKQPZGFOTMG-QWFCFKBJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517100 1290352844 /nfs/dbraw/zinc/35/28/44/1290352844.db2.gz OUYIBXBOBWGERV-QWFCFKBJSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183516890 1290353328 /nfs/dbraw/zinc/35/33/28/1290353328.db2.gz DDZHDJHPGWDTDA-WSTZPKSXSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC001183509474 1290358428 /nfs/dbraw/zinc/35/84/28/1290358428.db2.gz IDVPIYVZQQWVOX-OXQOHEQNSA-N 2 0 329.488 2.622 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001185053302 1290576121 /nfs/dbraw/zinc/57/61/21/1290576121.db2.gz SBIYIFLKVJAFKQ-SJORKVTESA-N 2 0 347.503 2.995 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185167814 1290607589 /nfs/dbraw/zinc/60/75/89/1290607589.db2.gz FJGYSFXDTOEMTO-ZWKOTPCHSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185167811 1290607905 /nfs/dbraw/zinc/60/79/05/1290607905.db2.gz FJGYSFXDTOEMTO-QZTJIDSGSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171168 1290608943 /nfs/dbraw/zinc/60/89/43/1290608943.db2.gz URRUGMYBWVEPTA-GDBMZVCRSA-N 2 0 343.943 2.791 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185170806 1290609425 /nfs/dbraw/zinc/60/94/25/1290609425.db2.gz RZKFQAZMJHOSFO-MSOLQXFVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001185261360 1290627570 /nfs/dbraw/zinc/62/75/70/1290627570.db2.gz UAHPSKHVFDGAQB-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185261359 1290628057 /nfs/dbraw/zinc/62/80/57/1290628057.db2.gz UAHPSKHVFDGAQB-HKUYNNGSSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001185360966 1290651111 /nfs/dbraw/zinc/65/11/11/1290651111.db2.gz RHRNADYIPIROJC-OALUTQOASA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001185740660 1290753621 /nfs/dbraw/zinc/75/36/21/1290753621.db2.gz CYXQAHWFTRRWLV-DOTOQJQBSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000876736968 1290995007 /nfs/dbraw/zinc/99/50/07/1290995007.db2.gz YNKGRGYYXZIECI-IRXDYDNUSA-N 2 0 335.879 2.627 20 30 EFEDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C)CCC#N)cc2F)CC1 ZINC000877011733 1291106656 /nfs/dbraw/zinc/10/66/56/1291106656.db2.gz HVEZRSDGLJPYQK-INIZCTEOSA-N 2 0 332.467 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793046 1312843105 /nfs/dbraw/zinc/84/31/05/1312843105.db2.gz CDQVNYWDBPOIER-SFHVURJKSA-N 2 0 335.536 2.951 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944616 1291270159 /nfs/dbraw/zinc/27/01/59/1291270159.db2.gz KTJKXWQEPOAGOX-XUVXKRRUSA-N 2 0 347.547 2.831 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187957994 1291273742 /nfs/dbraw/zinc/27/37/42/1291273742.db2.gz BPWZFBSFAWCYMV-FCGDIQPGSA-N 2 0 333.520 2.606 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001166803323 1312844590 /nfs/dbraw/zinc/84/45/90/1312844590.db2.gz QXUBHCLOEUDGRA-LJQANCHMSA-N 2 0 345.531 2.683 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001188294379 1291352431 /nfs/dbraw/zinc/35/24/31/1291352431.db2.gz LZMQNDGJRNBTST-MRXNPFEDSA-N 2 0 333.476 2.892 20 30 EFEDRP CC(=O)[C@@](C#N)(CCN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000878126204 1291509214 /nfs/dbraw/zinc/50/92/14/1291509214.db2.gz UQGHQNRXAUMOJQ-FPOVZHCZSA-N 2 0 339.483 2.845 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000957561531 1291769077 /nfs/dbraw/zinc/76/90/77/1291769077.db2.gz SFAGSZZRODUKCS-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000957573167 1291785436 /nfs/dbraw/zinc/78/54/36/1291785436.db2.gz LBIXFJONGKVXTH-UHFFFAOYSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611746 1312881211 /nfs/dbraw/zinc/88/12/11/1312881211.db2.gz FSRBFKLECKKBRD-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)CC1 ZINC000957586053 1291806736 /nfs/dbraw/zinc/80/67/36/1291806736.db2.gz ZYODICHRBPFFGU-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603216 1291856058 /nfs/dbraw/zinc/85/60/58/1291856058.db2.gz OKXDVONYGIVSLR-RTBURBONSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000957614574 1291884569 /nfs/dbraw/zinc/88/45/69/1291884569.db2.gz JGRBIAXRPICLJU-UHFFFAOYSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001189942443 1291942819 /nfs/dbraw/zinc/94/28/19/1291942819.db2.gz PKOIBIBCSHTPQB-FUHWJXTLSA-N 2 0 330.476 2.540 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647477 1291959459 /nfs/dbraw/zinc/95/94/59/1291959459.db2.gz JLMOHUSVMAQFOJ-KDURUIRLSA-N 2 0 345.531 2.587 20 30 EFEDRP CC#CC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647478 1291959834 /nfs/dbraw/zinc/95/98/34/1291959834.db2.gz JLMOHUSVMAQFOJ-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221807 1292050261 /nfs/dbraw/zinc/05/02/61/1292050261.db2.gz ONWWSALDZWQMFM-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049475746 1312903017 /nfs/dbraw/zinc/90/30/17/1312903017.db2.gz ARHOODDAGLKMOS-QZTJIDSGSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001190261055 1292086972 /nfs/dbraw/zinc/08/69/72/1292086972.db2.gz ZALAYPIHSLIVIJ-WMZOPIPTSA-N 2 0 344.503 2.649 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001016652334 1312904775 /nfs/dbraw/zinc/90/47/75/1312904775.db2.gz RWXJXOPWRNQTJR-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016652517 1312905432 /nfs/dbraw/zinc/90/54/32/1312905432.db2.gz SUQUXACUIBFBQB-HOTGVXAUSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016653750 1312905996 /nfs/dbraw/zinc/90/59/96/1312905996.db2.gz BLLHXOHPNRSEEZ-MSOLQXFVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190445646 1292165148 /nfs/dbraw/zinc/16/51/48/1292165148.db2.gz ZJGIKFZPEHXGPJ-QZTJIDSGSA-N 2 0 341.515 2.945 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480734 1292178142 /nfs/dbraw/zinc/17/81/42/1292178142.db2.gz HTVHERTUGYYFRI-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049479050 1312908171 /nfs/dbraw/zinc/90/81/71/1312908171.db2.gz XHONWSADRQKUNU-ROUUACIJSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016660819 1312910038 /nfs/dbraw/zinc/91/00/38/1312910038.db2.gz BZTWKVRMJMMANM-MSOLQXFVSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428328 1312922577 /nfs/dbraw/zinc/92/25/77/1312922577.db2.gz XXVGGYHKVAJPGE-IRXDYDNUSA-N 2 0 335.536 2.948 20 30 EFEDRP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001191010394 1292423522 /nfs/dbraw/zinc/42/35/22/1292423522.db2.gz LRCLUDHOXGNXEY-IEBWSBKVSA-N 2 0 346.519 2.949 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191081324 1292456660 /nfs/dbraw/zinc/45/66/60/1292456660.db2.gz QZLWSYZYKAUVJV-KRWDZBQOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C12CCC2 ZINC001203505658 1312940796 /nfs/dbraw/zinc/94/07/96/1312940796.db2.gz FFKUVBJDDRLFKX-RTBURBONSA-N 2 0 341.499 2.955 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203508570 1312941922 /nfs/dbraw/zinc/94/19/22/1312941922.db2.gz ZDYGIRCZLNVWAB-MSOLQXFVSA-N 2 0 333.520 2.539 20 30 EFEDRP N#Cc1ccc(Br)cc1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205570966 1292654253 /nfs/dbraw/zinc/65/42/53/1292654253.db2.gz QWHMZHUZGMVHEF-HNNXBMFYSA-N 2 0 340.240 2.974 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514521 1312949880 /nfs/dbraw/zinc/94/98/80/1312949880.db2.gz GRVAGJZQJMYKBS-CEXWTWQISA-N 2 0 333.520 2.606 20 30 EFEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)C12CCC2 ZINC001203604382 1312967835 /nfs/dbraw/zinc/96/78/35/1312967835.db2.gz DAYJEEJHGLYLCO-ZWKOTPCHSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203614059 1312971263 /nfs/dbraw/zinc/97/12/63/1312971263.db2.gz HMAGVVWHJUHXCR-ZWKOTPCHSA-N 2 0 345.531 2.846 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C12CCC2 ZINC001203616322 1312971877 /nfs/dbraw/zinc/97/18/77/1312971877.db2.gz YLXYHSBLMBNMMS-ROUUACIJSA-N 2 0 342.487 2.744 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001016788499 1312980302 /nfs/dbraw/zinc/98/03/02/1312980302.db2.gz ZGVGROGULYQXJH-RBUKOAKNSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016793171 1312982958 /nfs/dbraw/zinc/98/29/58/1312982958.db2.gz GLPVBVDGVXVJJC-KRWDZBQOSA-N 2 0 345.487 2.892 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001016793312 1312983272 /nfs/dbraw/zinc/98/32/72/1312983272.db2.gz JDJQVFHZHFSUCK-MRXNPFEDSA-N 2 0 331.460 2.502 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383245 1293284311 /nfs/dbraw/zinc/28/43/11/1293284311.db2.gz RAFTYHVKJDOQRB-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049544889 1312992166 /nfs/dbraw/zinc/99/21/66/1312992166.db2.gz HGIPGWLWPFJRNA-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498020 1293325324 /nfs/dbraw/zinc/32/53/24/1293325324.db2.gz FDJAUFBTVLGHBQ-HOTGVXAUSA-N 2 0 330.476 2.649 20 30 EFEDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C#N)c1)C2 ZINC001203756573 1313007351 /nfs/dbraw/zinc/00/73/51/1313007351.db2.gz AIBKKBPVGQUWPL-SFTDATJTSA-N 2 0 339.483 2.739 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770238 1313010336 /nfs/dbraw/zinc/01/03/36/1313010336.db2.gz FKGBMCXROMYWNX-JKSUJKDBSA-N 2 0 339.911 2.632 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCCC)C2)CC1 ZINC001194245433 1293568645 /nfs/dbraw/zinc/56/86/45/1293568645.db2.gz AIGLZGFXXZSEHY-HXUWFJFHSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203772762 1313011483 /nfs/dbraw/zinc/01/14/83/1313011483.db2.gz SUZCAEVXCIAEMG-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773886 1313012443 /nfs/dbraw/zinc/01/24/43/1313012443.db2.gz WWJGHLRLOLBFOH-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862016 1313015454 /nfs/dbraw/zinc/01/54/54/1313015454.db2.gz RQFNWKIYXGZAHC-QZTJIDSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049563788 1313023236 /nfs/dbraw/zinc/02/32/36/1313023236.db2.gz DKKXUZHDSCGXKG-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568776 1313030864 /nfs/dbraw/zinc/03/08/64/1313030864.db2.gz WKFKKJMFFYSJNM-OTWHNJEPSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916233 1313041366 /nfs/dbraw/zinc/04/13/66/1313041366.db2.gz MABQLVRCABOCML-LJQANCHMSA-N 2 0 345.531 2.655 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCCCC=C)CC2)CC1 ZINC001203889119 1313041911 /nfs/dbraw/zinc/04/19/11/1313041911.db2.gz WQTFZCOXGRAOGJ-UHFFFAOYSA-N 2 0 345.531 2.659 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001195852603 1294047204 /nfs/dbraw/zinc/04/72/04/1294047204.db2.gz CBVPWFIANJUGRJ-UHFFFAOYSA-N 2 0 326.444 2.757 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203936263 1313051229 /nfs/dbraw/zinc/05/12/29/1313051229.db2.gz FVRITKGXWTXWBS-UHFFFAOYSA-N 2 0 342.531 2.544 20 30 EFEDRP C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589692 1313058472 /nfs/dbraw/zinc/05/84/72/1313058472.db2.gz AWCPEWUGSPXKSJ-IAGOWNOFSA-N 2 0 344.846 2.766 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001016983476 1313071108 /nfs/dbraw/zinc/07/11/08/1313071108.db2.gz TZYOPHVPVHMRJY-CVEARBPZSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001016990091 1313075423 /nfs/dbraw/zinc/07/54/23/1313075423.db2.gz JINVWZVVWPUVLL-SFHVURJKSA-N 2 0 345.487 2.892 20 30 EFEDRP CC(C)CCNC(=[NH2+])NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000303771740 1294578043 /nfs/dbraw/zinc/57/80/43/1294578043.db2.gz CWQVSOXVDUCXJA-IAGOWNOFSA-N 2 0 346.519 2.746 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc2ccccc21 ZINC000303871588 1294592869 /nfs/dbraw/zinc/59/28/69/1294592869.db2.gz FYBOFCFZGDJBIQ-QGZVFWFLSA-N 2 0 340.471 2.607 20 30 EFEDRP C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C[C@H](C)O1 ZINC000303871392 1294593763 /nfs/dbraw/zinc/59/37/63/1294593763.db2.gz BQDMUWAVDVNITB-HOTGVXAUSA-N 2 0 344.503 2.500 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc2ccccc21 ZINC000303871581 1294593783 /nfs/dbraw/zinc/59/37/83/1294593783.db2.gz FYBOFCFZGDJBIQ-KRWDZBQOSA-N 2 0 340.471 2.607 20 30 EFEDRP C[N@H+](Cc1ccccc1CNC(=[NH2+])N1CCOCC1)C1CCCCC1 ZINC000303881644 1294596217 /nfs/dbraw/zinc/59/62/17/1294596217.db2.gz LBHNDGTZFKHFMB-UHFFFAOYSA-N 2 0 344.503 2.598 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000303893172 1294599027 /nfs/dbraw/zinc/59/90/27/1294599027.db2.gz RSZXAVCSPHSKBQ-OAHLLOKOSA-N 2 0 348.491 2.943 20 30 EFEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])N2CCCCC2)cc1 ZINC000303900312 1294600586 /nfs/dbraw/zinc/60/05/86/1294600586.db2.gz SEOMOQBFOIEZGN-UHFFFAOYSA-N 2 0 332.492 2.708 20 30 EFEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000303898998 1294600770 /nfs/dbraw/zinc/60/07/70/1294600770.db2.gz VWEMUPHQXFBFFO-PKOBYXMFSA-N 2 0 328.504 2.598 20 30 EFEDRP C=CCCCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001197545200 1294600887 /nfs/dbraw/zinc/60/08/87/1294600887.db2.gz HWCXVNPHBFUVAC-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCCO2)cc1C#N ZINC001276443388 1313087810 /nfs/dbraw/zinc/08/78/10/1313087810.db2.gz KLGCHYHIBTWWOE-AQDPXUSMSA-N 2 0 342.487 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000303988121 1294615729 /nfs/dbraw/zinc/61/57/29/1294615729.db2.gz WGBDBDKTSVGWPC-MRXNPFEDSA-N 2 0 334.895 2.760 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000303988120 1294615983 /nfs/dbraw/zinc/61/59/83/1294615983.db2.gz WGBDBDKTSVGWPC-INIZCTEOSA-N 2 0 334.895 2.760 20 30 EFEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001203313512 1294834497 /nfs/dbraw/zinc/83/44/97/1294834497.db2.gz SALMEOZXTXUADM-LJQANCHMSA-N 2 0 329.488 2.836 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345901 1313109427 /nfs/dbraw/zinc/10/94/27/1313109427.db2.gz NRXZZJPHKRLPEE-RTBURBONSA-N 2 0 335.536 2.831 20 30 EFEDRP C=CCC1(O)CC[NH+](CCCC[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886773839 1295146409 /nfs/dbraw/zinc/14/64/09/1295146409.db2.gz BXSPFSFCYWFART-UHFFFAOYSA-N 2 0 336.520 2.573 20 30 EFEDRP C=CCC1(O)CC[NH+](CC[C@H](C)[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886774503 1295146416 /nfs/dbraw/zinc/14/64/16/1295146416.db2.gz OSUWYEYDJNQXTF-SFHVURJKSA-N 2 0 336.520 2.571 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766749 1295240442 /nfs/dbraw/zinc/24/04/42/1295240442.db2.gz HCDPDSWMPWSETQ-HKUYNNGSSA-N 2 0 347.503 2.604 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198774829 1295245423 /nfs/dbraw/zinc/24/54/23/1295245423.db2.gz BFEYYNGGADBCEU-ROUUACIJSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1OC ZINC001198776765 1295247421 /nfs/dbraw/zinc/24/74/21/1295247421.db2.gz UFWUFGUJFKOEPF-QZTJIDSGSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198902862 1295304650 /nfs/dbraw/zinc/30/46/50/1295304650.db2.gz QWCKFDSFBWVYON-WMZOPIPTSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC[NH2+][C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968540 1295365746 /nfs/dbraw/zinc/36/57/46/1295365746.db2.gz NLNPXVQCODIDLD-SFHVURJKSA-N 2 0 347.503 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049669867 1313161563 /nfs/dbraw/zinc/16/15/63/1313161563.db2.gz BHBZRWMVHPLTAP-VJANTYMQSA-N 2 0 333.520 2.748 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000304751874 1295748747 /nfs/dbraw/zinc/74/87/47/1295748747.db2.gz JRIPJIIXLMDISY-JKSUJKDBSA-N 2 0 332.492 2.589 20 30 EFEDRP CCC(CC)(CNC(=[NH2+])N[C@H](C)COC)[NH2+][C@H](C)c1ccccc1 ZINC000304752211 1295749114 /nfs/dbraw/zinc/74/91/14/1295749114.db2.gz KALKXOLCFGIWNF-HZPDHXFCSA-N 2 0 334.508 2.835 20 30 EFEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC000305037209 1295838205 /nfs/dbraw/zinc/83/82/05/1295838205.db2.gz BPSRGGRJOHDMMB-IBGZPJMESA-N 2 0 328.504 2.742 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC3(C)CC[NH2+]CC3)C2)CC1 ZINC001204843003 1313201991 /nfs/dbraw/zinc/20/19/91/1313201991.db2.gz HQYMEEOWOQPHCY-UHFFFAOYSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717933 1313219628 /nfs/dbraw/zinc/21/96/28/1313219628.db2.gz HQKJUKSDZGIJBY-PMACEKPBSA-N 2 0 341.499 2.656 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718806 1313220412 /nfs/dbraw/zinc/22/04/12/1313220412.db2.gz NYMVRTYSELUEJB-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283414 1313264470 /nfs/dbraw/zinc/26/44/70/1313264470.db2.gz BKHIBTJWEWNOPY-RTBURBONSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318757 1313269086 /nfs/dbraw/zinc/26/90/86/1313269086.db2.gz QDFVKWGNNAUQKG-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCCCCCCN1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001276041710 1296579794 /nfs/dbraw/zinc/57/97/94/1296579794.db2.gz OJZRYMCVNWVHIH-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049766758 1313277103 /nfs/dbraw/zinc/27/71/03/1313277103.db2.gz MXSGZQZNRLHZFS-CEXWTWQISA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049767673 1313278000 /nfs/dbraw/zinc/27/80/00/1313278000.db2.gz QDRPDFVUXSNQEB-OTWHNJEPSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001049768218 1313278653 /nfs/dbraw/zinc/27/86/53/1313278653.db2.gz UVEHFJPSHGGSTM-OTWHNJEPSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001235339013 1313296263 /nfs/dbraw/zinc/29/62/63/1313296263.db2.gz WKQYDMPBCRWYMT-RBUKOAKNSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001201392577 1296780196 /nfs/dbraw/zinc/78/01/96/1296780196.db2.gz ATRRAJVJUAGFGW-UHFFFAOYSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001205518786 1313303567 /nfs/dbraw/zinc/30/35/67/1313303567.db2.gz KQLOIKQVDRHFRY-RBUKOAKNSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205594234 1313319859 /nfs/dbraw/zinc/31/98/59/1313319859.db2.gz MQAFVBPJQKFPRY-QGZVFWFLSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049807468 1313323668 /nfs/dbraw/zinc/32/36/68/1313323668.db2.gz SSMKBUOCFSNKHE-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205629885 1313325454 /nfs/dbraw/zinc/32/54/54/1313325454.db2.gz HXIUPQIQNXBGOM-FUHWJXTLSA-N 2 0 347.478 2.626 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3ccc(F)c(C#N)c3F)cc[nH+]2)CC1 ZINC001201666773 1296980734 /nfs/dbraw/zinc/98/07/34/1296980734.db2.gz GBDCPRNTMUCDIR-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3cc(F)c(F)cc3C#N)cc[nH+]2)CC1 ZINC001201668651 1296981524 /nfs/dbraw/zinc/98/15/24/1296981524.db2.gz ZDGUQWJTHCZLSP-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3ccc(F)c(CC#N)c3)cc[nH+]2)CC1 ZINC001201672092 1296983646 /nfs/dbraw/zinc/98/36/46/1296983646.db2.gz IDDKJWIHXKXNBW-UHFFFAOYSA-N 2 0 325.391 2.782 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3c(F)cc(C#N)cc3F)cc[nH+]2)CC1 ZINC001201665135 1297013335 /nfs/dbraw/zinc/01/33/35/1297013335.db2.gz AELHDXOCKBRKTA-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205674172 1313334965 /nfs/dbraw/zinc/33/49/65/1313334965.db2.gz CDHLVJAQQWTGGA-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP N#CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001277951464 1313344111 /nfs/dbraw/zinc/34/41/11/1313344111.db2.gz KAMKHDNAANKGAD-IBGZPJMESA-N 2 0 329.492 2.755 20 30 EFEDRP CCCCCCC[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201762412 1297060189 /nfs/dbraw/zinc/06/01/89/1297060189.db2.gz KGDXTYAUJNUDLX-UHFFFAOYSA-N 2 0 333.520 2.781 20 30 EFEDRP N#CCc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001235514041 1313341189 /nfs/dbraw/zinc/34/11/89/1313341189.db2.gz NEGVWAHAXKXAMP-UHFFFAOYSA-N 2 0 349.482 2.603 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206005928 1313390163 /nfs/dbraw/zinc/39/01/63/1313390163.db2.gz FIPLMRAKVPCNBI-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001206006971 1313390754 /nfs/dbraw/zinc/39/07/54/1313390754.db2.gz UQIDBEOVBPZXDD-QGZVFWFLSA-N 2 0 341.927 2.689 20 30 EFEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206022894 1313392932 /nfs/dbraw/zinc/39/29/32/1313392932.db2.gz LGWRSIOWBKSSRK-HXUWFJFHSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001206022890 1313393100 /nfs/dbraw/zinc/39/31/00/1313393100.db2.gz LGWRSIOWBKSSRK-FQEVSTJZSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555821 1313412615 /nfs/dbraw/zinc/41/26/15/1313412615.db2.gz VVYUUQFKQMFUTO-YTQUADARSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618671 1313441670 /nfs/dbraw/zinc/44/16/70/1313441670.db2.gz UIBLMVAHWPIZEI-CEXWTWQISA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775818 1298061942 /nfs/dbraw/zinc/06/19/42/1298061942.db2.gz RSLULVGKJARWQI-HOTGVXAUSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001206547025 1313473414 /nfs/dbraw/zinc/47/34/14/1313473414.db2.gz BSXVWGBEDIQJIH-OALUTQOASA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913486 1313475331 /nfs/dbraw/zinc/47/53/31/1313475331.db2.gz YKFWJEBVOROSSN-RBUKOAKNSA-N 2 0 327.472 2.613 20 30 EFEDRP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001017689063 1313475632 /nfs/dbraw/zinc/47/56/32/1313475632.db2.gz MLWPJOYPPXOKBA-HDICACEKSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913484 1313475663 /nfs/dbraw/zinc/47/56/63/1313475663.db2.gz YKFWJEBVOROSSN-MOPGFXCFSA-N 2 0 327.472 2.613 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001049917901 1313483189 /nfs/dbraw/zinc/48/31/89/1313483189.db2.gz JDHLQOZYGFPDRS-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180412 1298257373 /nfs/dbraw/zinc/25/73/73/1298257373.db2.gz GVZUDQUVGBTLKN-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001049917903 1313483464 /nfs/dbraw/zinc/48/34/64/1313483464.db2.gz JDHLQOZYGFPDRS-OTWHNJEPSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000961184739 1298268544 /nfs/dbraw/zinc/26/85/44/1298268544.db2.gz OEPUKUDTZHAHDG-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)n3cnc(C)c3)C2)C1 ZINC000961193896 1298288801 /nfs/dbraw/zinc/28/88/01/1298288801.db2.gz GCROVHRBIIBXBB-ROUUACIJSA-N 2 0 344.503 2.673 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000961197343 1298295822 /nfs/dbraw/zinc/29/58/22/1298295822.db2.gz NOZRLQINPJLQEW-OALUTQOASA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000961199067 1298302474 /nfs/dbraw/zinc/30/24/74/1298302474.db2.gz JMHAJQMZZBCSPI-ROUUACIJSA-N 2 0 338.455 2.694 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206000 1298322801 /nfs/dbraw/zinc/32/28/01/1298322801.db2.gz WWCHDIGRQJCZRT-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961206004 1298323046 /nfs/dbraw/zinc/32/30/46/1298323046.db2.gz WWCHDIGRQJCZRT-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000961259608 1298431590 /nfs/dbraw/zinc/43/15/90/1298431590.db2.gz ISFUWHYTDIBVRU-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961268228 1298456671 /nfs/dbraw/zinc/45/66/71/1298456671.db2.gz FTJCWXQOQSLULY-RTBURBONSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276832 1298473979 /nfs/dbraw/zinc/47/39/79/1298473979.db2.gz WPOAAIQHSMJXLN-PMACEKPBSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000961292538 1298509876 /nfs/dbraw/zinc/50/98/76/1298509876.db2.gz JREYCVPJCRQVRN-UXHICEINSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH2+]CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001206865453 1313528294 /nfs/dbraw/zinc/52/82/94/1313528294.db2.gz PRHHTZPYIKOPAY-UHFFFAOYSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000961365353 1298621913 /nfs/dbraw/zinc/62/19/13/1298621913.db2.gz GPYWRVDDNZQYMC-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372945 1298635557 /nfs/dbraw/zinc/63/55/57/1298635557.db2.gz FDXZHQUNJQBFFT-UXHICEINSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000961372296 1298635718 /nfs/dbraw/zinc/63/57/18/1298635718.db2.gz AVKAZQMIWOTQNL-WOJBJXKFSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871443 1313531013 /nfs/dbraw/zinc/53/10/13/1313531013.db2.gz LNKIXWWUHIRTCD-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871440 1313531104 /nfs/dbraw/zinc/53/11/04/1313531104.db2.gz LNKIXWWUHIRTCD-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376764 1298646954 /nfs/dbraw/zinc/64/69/54/1298646954.db2.gz CPHUTOHHBVVGGB-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961376805 1298647079 /nfs/dbraw/zinc/64/70/79/1298647079.db2.gz DHGAEYVPDATVNP-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961377992 1298648218 /nfs/dbraw/zinc/64/82/18/1298648218.db2.gz JSUUZIVIBWVNPX-RTBURBONSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961401308 1298692837 /nfs/dbraw/zinc/69/28/37/1298692837.db2.gz DGNCXROFHYYTBI-MJGOQNOKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000961410265 1298705251 /nfs/dbraw/zinc/70/52/51/1298705251.db2.gz GETUKGRGCDMLRT-QUCCMNQESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410261 1298706068 /nfs/dbraw/zinc/70/60/68/1298706068.db2.gz GETUKGRGCDMLRT-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000961435354 1298744240 /nfs/dbraw/zinc/74/42/40/1298744240.db2.gz MIPGKKOHZSBISV-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961435327 1298744836 /nfs/dbraw/zinc/74/48/36/1298744836.db2.gz LWCXBUFEBSIEEI-FQEVSTJZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000961435328 1298744851 /nfs/dbraw/zinc/74/48/51/1298744851.db2.gz LWCXBUFEBSIEEI-HXUWFJFHSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961439237 1298748975 /nfs/dbraw/zinc/74/89/75/1298748975.db2.gz GLPASNVTSGNJMW-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)COc1ccccc1CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236924739 1313554323 /nfs/dbraw/zinc/55/43/23/1313554323.db2.gz TXZBHVZORIMYGY-IBGZPJMESA-N 2 0 331.504 2.757 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC#N)C3)c(F)c2)CC1 ZINC001236939645 1313557102 /nfs/dbraw/zinc/55/71/02/1313557102.db2.gz UAXBORJNHRYXGQ-INIZCTEOSA-N 2 0 330.451 2.703 20 30 EFEDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C#N)CC3)c(F)c2)CC1 ZINC001236938162 1313557171 /nfs/dbraw/zinc/55/71/71/1313557171.db2.gz KNKQUFWWYYQXRW-INIZCTEOSA-N 2 0 330.451 2.703 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000305793247 1298868763 /nfs/dbraw/zinc/86/87/63/1298868763.db2.gz MHEGAJJRCSTSTQ-IRXDYDNUSA-N 2 0 344.503 2.504 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001206951449 1313568778 /nfs/dbraw/zinc/56/87/78/1313568778.db2.gz RKIYUHGAOPTPAF-UHFFFAOYSA-N 2 0 349.906 2.943 20 30 EFEDRP C=CC[NH2+]CCN1CCN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001237014034 1313570281 /nfs/dbraw/zinc/57/02/81/1313570281.db2.gz BPARTJYXZODFOW-MRXNPFEDSA-N 2 0 327.394 2.511 20 30 EFEDRP C#CCC[NH2+]CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001206965418 1313573719 /nfs/dbraw/zinc/57/37/19/1313573719.db2.gz AWMSOUWSHUVYHS-UHFFFAOYSA-N 2 0 345.487 2.587 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001207001402 1313586239 /nfs/dbraw/zinc/58/62/39/1313586239.db2.gz XHSVKCKLUNECLK-FCGDIQPGSA-N 2 0 335.536 2.900 20 30 EFEDRP C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101780 1299546887 /nfs/dbraw/zinc/54/68/87/1299546887.db2.gz SQWLHDSZOOIDGP-UWJYYQICSA-N 2 0 341.499 2.547 20 30 EFEDRP C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000852101782 1299548146 /nfs/dbraw/zinc/54/81/46/1299548146.db2.gz SSPVYAJADFRFDI-LJQANCHMSA-N 2 0 345.512 2.565 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052147 1313660352 /nfs/dbraw/zinc/66/03/52/1313660352.db2.gz MABNWGAIPLNTPH-AKHDSKFASA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001110661310 1300013107 /nfs/dbraw/zinc/01/31/07/1300013107.db2.gz QAAGZNLSYOWWGY-MANSERQUSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)C1 ZINC001207480151 1313696187 /nfs/dbraw/zinc/69/61/87/1313696187.db2.gz UZDRWYCTACYMKD-HXUWFJFHSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CCC1CC[NH+](C)CC1)C2 ZINC001207482064 1313696800 /nfs/dbraw/zinc/69/68/00/1313696800.db2.gz SGZJTGZIRVIGJF-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307036 1300557578 /nfs/dbraw/zinc/55/75/78/1300557578.db2.gz VWIWNHVFTFSXQZ-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963307037 1300557598 /nfs/dbraw/zinc/55/75/98/1300557598.db2.gz VWIWNHVFTFSXQZ-OALUTQOASA-N 2 0 345.531 2.587 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313542 1300574381 /nfs/dbraw/zinc/57/43/81/1300574381.db2.gz GCUIHVRUMCYGAZ-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000963322624 1300598476 /nfs/dbraw/zinc/59/84/76/1300598476.db2.gz HVPDQEKWVYOOLE-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328324 1300612288 /nfs/dbraw/zinc/61/22/88/1300612288.db2.gz NUSCFFTXTSOLJZ-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963329496 1300616968 /nfs/dbraw/zinc/61/69/68/1300616968.db2.gz ZMUARLDFDQSAOS-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384211 1300741054 /nfs/dbraw/zinc/74/10/54/1300741054.db2.gz RRAMCYVQPSZKLS-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429139 1300835261 /nfs/dbraw/zinc/83/52/61/1300835261.db2.gz OOINNFYIRYFHQA-UXHICEINSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682149 1313748912 /nfs/dbraw/zinc/74/89/12/1313748912.db2.gz BQIXQWIEXMIQJF-FGTMMUONSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000963808655 1301334756 /nfs/dbraw/zinc/33/47/56/1301334756.db2.gz NFJGFUKFZJJAHL-UHFFFAOYSA-N 2 0 333.520 2.844 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000963832978 1301353865 /nfs/dbraw/zinc/35/38/65/1301353865.db2.gz HJKRNWHQOXFLFV-QLOJAFMTSA-N 2 0 345.531 2.776 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000963832977 1301354160 /nfs/dbraw/zinc/35/41/60/1301354160.db2.gz HJKRNWHQOXFLFV-AFMYVXGZSA-N 2 0 345.531 2.776 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000964030221 1301624061 /nfs/dbraw/zinc/62/40/61/1301624061.db2.gz HWFSJPZZQKXQCO-NQPFRDSSSA-N 2 0 331.504 2.596 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000964167211 1301685220 /nfs/dbraw/zinc/68/52/20/1301685220.db2.gz JWYSTEQACCOIHF-QAELIBMJSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000964371028 1301737556 /nfs/dbraw/zinc/73/75/56/1301737556.db2.gz ACQHJQOTTLRSCA-UHFFFAOYSA-N 2 0 344.846 2.717 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063018 1313838570 /nfs/dbraw/zinc/83/85/70/1313838570.db2.gz JEACYJNHQVSIBQ-RTBURBONSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063523 1313838573 /nfs/dbraw/zinc/83/85/73/1313838573.db2.gz PIDAWMSUAPPTRZ-OALUTQOASA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965932985 1303466585 /nfs/dbraw/zinc/46/65/85/1303466585.db2.gz HFODBFWKOPSOOW-GFBLOWMDSA-N 2 0 339.911 2.629 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000965932986 1303466767 /nfs/dbraw/zinc/46/67/67/1303466767.db2.gz HFODBFWKOPSOOW-RSOWUBFDSA-N 2 0 339.911 2.629 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208410963 1313922696 /nfs/dbraw/zinc/92/26/96/1313922696.db2.gz JLEOFALCJNXVDJ-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497475 1313944046 /nfs/dbraw/zinc/94/40/46/1313944046.db2.gz BEGJZCCHQJTNTH-NVXWUHKLSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097314779 1313964924 /nfs/dbraw/zinc/96/49/24/1313964924.db2.gz FKYDIENPXWUJKO-KURKYZTESA-N 2 0 331.504 2.550 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1CC ZINC001037923968 1304763841 /nfs/dbraw/zinc/76/38/41/1304763841.db2.gz HFRUSSHVBNEUHK-QUCCMNQESA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264994 1304776387 /nfs/dbraw/zinc/77/63/87/1304776387.db2.gz RQLLMORHCFPPNX-YJBOKZPZSA-N 2 0 326.444 2.741 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037928668 1304832084 /nfs/dbraw/zinc/83/20/84/1304832084.db2.gz DTSHGYTWIXTUGI-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cnc3c2CCCC3)C1 ZINC000967403704 1304951789 /nfs/dbraw/zinc/95/17/89/1304951789.db2.gz ZIABOZBLBFMEAL-SJLPKXTDSA-N 2 0 344.503 2.555 20 30 EFEDRP C[NH+](C)CCCOc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cn1 ZINC001240356969 1314024446 /nfs/dbraw/zinc/02/44/46/1314024446.db2.gz YRGPUBPFNOGOKV-UHFFFAOYSA-N 2 0 336.439 2.638 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001037955458 1305305132 /nfs/dbraw/zinc/30/51/32/1305305132.db2.gz BOHYOMZCKWLXQR-IEBWSBKVSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1CC ZINC001037983141 1305589691 /nfs/dbraw/zinc/58/96/91/1305589691.db2.gz MBPWSKFMVQINHK-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018851226 1314068520 /nfs/dbraw/zinc/06/85/20/1314068520.db2.gz OIVRGSINFHNGMR-CVEARBPZSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001246046434 1314573474 /nfs/dbraw/zinc/57/34/74/1314573474.db2.gz QBDMVQFFZCZVPO-LJQANCHMSA-N 2 0 326.525 2.964 20 30 EFEDRP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150912 1314100374 /nfs/dbraw/zinc/10/03/74/1314100374.db2.gz WCRUXGZDTHOKTF-IEBWSBKVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326775 1306136606 /nfs/dbraw/zinc/13/66/06/1306136606.db2.gz IUHWRRVCTUMYQH-PXNSSMCTSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968496929 1306400706 /nfs/dbraw/zinc/40/07/06/1306400706.db2.gz FJODTGNLDYDFOU-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681088 1306563406 /nfs/dbraw/zinc/56/34/06/1306563406.db2.gz GQERGRDZTSLJJV-LPHOPBHVSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044658959 1306696338 /nfs/dbraw/zinc/69/63/38/1306696338.db2.gz MXAAHUVHTNYTMY-HIFRSBDPSA-N 2 0 332.835 2.670 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044658962 1306696564 /nfs/dbraw/zinc/69/65/64/1306696564.db2.gz MXAAHUVHTNYTMY-ZFWWWQNUSA-N 2 0 332.835 2.670 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044658960 1306696744 /nfs/dbraw/zinc/69/67/44/1306696744.db2.gz MXAAHUVHTNYTMY-UKRRQHHQSA-N 2 0 332.835 2.670 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968887382 1306760297 /nfs/dbraw/zinc/76/02/97/1306760297.db2.gz CBHMJSWLDVDBEP-VQTJNVASSA-N 2 0 345.531 2.778 20 30 EFEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044741937 1306764767 /nfs/dbraw/zinc/76/47/67/1306764767.db2.gz DVRYZPSZSBAWEC-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001044773436 1306791931 /nfs/dbraw/zinc/79/19/31/1306791931.db2.gz AKWGYNKURGTTAT-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001044798544 1306810328 /nfs/dbraw/zinc/81/03/28/1306810328.db2.gz CGKCVSBHGASYJO-RDJZCZTQSA-N 2 0 341.927 2.828 20 30 EFEDRP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936758 1306816002 /nfs/dbraw/zinc/81/60/02/1306816002.db2.gz PNFXLWFEEFXSCO-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001044861225 1306871490 /nfs/dbraw/zinc/87/14/90/1306871490.db2.gz AQOXICJKFIVCDZ-LPHOPBHVSA-N 2 0 329.488 2.907 20 30 EFEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969001997 1306876624 /nfs/dbraw/zinc/87/66/24/1306876624.db2.gz IEMJJOWHGIROJT-UXHICEINSA-N 2 0 345.531 2.778 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044872078 1306882729 /nfs/dbraw/zinc/88/27/29/1306882729.db2.gz NPHGXNHOTKJOSN-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058813 1306931763 /nfs/dbraw/zinc/93/17/63/1306931763.db2.gz AHIXHADOOGRINL-OALUTQOASA-N 2 0 333.520 2.633 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072544 1306946271 /nfs/dbraw/zinc/94/62/71/1306946271.db2.gz KWVXHQZLKAIROB-FQEVSTJZSA-N 2 0 341.499 2.746 20 30 EFEDRP C[NH+](C)CCOc1ccc(-c2ncc3c(c2C#N)CCC[NH2+]C3)cc1 ZINC001242146559 1314184980 /nfs/dbraw/zinc/18/49/80/1314184980.db2.gz MLARINZPLRAYIO-UHFFFAOYSA-N 2 0 336.439 2.596 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001045585204 1307448223 /nfs/dbraw/zinc/44/82/23/1307448223.db2.gz OXCMHVKBSSRNPV-ROUUACIJSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001045616070 1307474943 /nfs/dbraw/zinc/47/49/43/1307474943.db2.gz RGRBPMRNLRRFEP-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705473 1314203380 /nfs/dbraw/zinc/20/33/80/1314203380.db2.gz NRCLJXGCIVSOCF-YSTOQKLRSA-N 2 0 343.515 2.528 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209640406 1314205939 /nfs/dbraw/zinc/20/59/39/1314205939.db2.gz BXXFSUACQFIEPF-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001209644147 1314208415 /nfs/dbraw/zinc/20/84/15/1314208415.db2.gz ZBJMVGJKRKRWPA-VQIMIIECSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045921193 1307897581 /nfs/dbraw/zinc/89/75/81/1307897581.db2.gz HJXHFDTVYKYVPL-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938277 1307940566 /nfs/dbraw/zinc/94/05/66/1307940566.db2.gz WKENKYWGPDVBHW-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001045942468 1307953822 /nfs/dbraw/zinc/95/38/22/1307953822.db2.gz YBKAMRIFOSZTKM-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001045942909 1307955205 /nfs/dbraw/zinc/95/52/05/1307955205.db2.gz CVMQYSVYTPMLMX-CTNGQTDRSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943347 1307956896 /nfs/dbraw/zinc/95/68/96/1307956896.db2.gz IKGKPEPLNIYXCW-IBGZPJMESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045943738 1307959075 /nfs/dbraw/zinc/95/90/75/1307959075.db2.gz NSZWSOQDIPHSRA-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945555 1307965364 /nfs/dbraw/zinc/96/53/64/1307965364.db2.gz VUBKVFRAZURXSZ-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045953333 1307987511 /nfs/dbraw/zinc/98/75/11/1307987511.db2.gz YENGFOLUWHUPGM-TZIWHRDSSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001045977284 1308055476 /nfs/dbraw/zinc/05/54/76/1308055476.db2.gz ABGKPKPZWLATTO-OAQYLSRUSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045981796 1308071735 /nfs/dbraw/zinc/07/17/35/1308071735.db2.gz GIMQAKFKGGSTRW-HXUWFJFHSA-N 2 0 344.503 2.931 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001045982120 1308074395 /nfs/dbraw/zinc/07/43/95/1308074395.db2.gz OFLUXYVCKLQZCY-LJQANCHMSA-N 2 0 330.476 2.541 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983478 1308077757 /nfs/dbraw/zinc/07/77/57/1308077757.db2.gz OJGVAYVAZSHVPX-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045985351 1308083335 /nfs/dbraw/zinc/08/33/35/1308083335.db2.gz RYPMXCZTSWBDMV-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008540750 1308143563 /nfs/dbraw/zinc/14/35/63/1308143563.db2.gz OXGCNJRHWVFTPU-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008882918 1308311892 /nfs/dbraw/zinc/31/18/92/1308311892.db2.gz POXICXXJXURXBB-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319395 1308537203 /nfs/dbraw/zinc/53/72/03/1308537203.db2.gz RHCDLIBAPLGFFI-PXNSSMCTSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626327 1308953276 /nfs/dbraw/zinc/95/32/76/1308953276.db2.gz RQUCBLNOZOUAOS-OAQYLSRUSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210134188 1314285983 /nfs/dbraw/zinc/28/59/83/1314285983.db2.gz VLALUBIJVMGTTM-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001046996813 1309886752 /nfs/dbraw/zinc/88/67/52/1309886752.db2.gz XQUPSRTXIRKSOW-HOTGVXAUSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763685 1314357864 /nfs/dbraw/zinc/35/78/64/1314357864.db2.gz IXAAPHUBHRUURV-SJORKVTESA-N 2 0 341.927 2.974 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231014 1310365378 /nfs/dbraw/zinc/36/53/78/1310365378.db2.gz JJSRKMDHTPQTQQ-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001047231017 1310366208 /nfs/dbraw/zinc/36/62/08/1310366208.db2.gz JJSRKMDHTPQTQQ-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047241415 1310392329 /nfs/dbraw/zinc/39/23/29/1310392329.db2.gz CCTNWMOCJZXRFT-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001047243604 1310397382 /nfs/dbraw/zinc/39/73/82/1310397382.db2.gz LTEGUZWEPBIOOC-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047243995 1310399531 /nfs/dbraw/zinc/39/95/31/1310399531.db2.gz OPBXHLJDGVXANV-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001047244143 1310400320 /nfs/dbraw/zinc/40/03/20/1310400320.db2.gz QGOOKTRPVVXRLK-LJQANCHMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001047244667 1310401684 /nfs/dbraw/zinc/40/16/84/1310401684.db2.gz UIMJHWGPXNHSGX-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256063 1310429336 /nfs/dbraw/zinc/42/93/36/1310429336.db2.gz GATDAUIUIPCVES-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001047258273 1310435749 /nfs/dbraw/zinc/43/57/49/1310435749.db2.gz YXUMZCRMOHIEBG-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001047266214 1310460836 /nfs/dbraw/zinc/46/08/36/1310460836.db2.gz TUCWCMIHYDVHSR-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813659 1311036235 /nfs/dbraw/zinc/03/62/35/1311036235.db2.gz UDMKNXRIDVTEPA-GUDVDZBRSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001221910451 1311052640 /nfs/dbraw/zinc/05/26/40/1311052640.db2.gz BOBDKGQAPOPGBL-MISYRCLQSA-N 2 0 347.547 2.994 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221969076 1311062207 /nfs/dbraw/zinc/06/22/07/1311062207.db2.gz PHRPGCMTTISWAX-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547253 1311100877 /nfs/dbraw/zinc/10/08/77/1311100877.db2.gz BRHJOHSPLZXARO-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548203 1311101450 /nfs/dbraw/zinc/10/14/50/1311101450.db2.gz RLSCFPOKXMKQQN-NMLBUPMWSA-N 2 0 347.547 2.853 20 30 EFEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCO[C@@H](C)C#N)CC1 ZINC000801938048 1311128963 /nfs/dbraw/zinc/12/89/63/1311128963.db2.gz YDTWWCIICBGQAZ-JKSUJKDBSA-N 2 0 348.466 2.547 20 30 EFEDRP N#CC1(c2ccccc2-c2cnn(CC[NH+]3CCCC3)c2)CC[NH2+]CC1 ZINC001222499324 1311142144 /nfs/dbraw/zinc/14/21/44/1311142144.db2.gz BDGBXDFIRMYQIK-UHFFFAOYSA-N 2 0 349.482 2.791 20 30 EFEDRP C=CCCCCCCCCC[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521350 1311146146 /nfs/dbraw/zinc/14/61/46/1311146146.db2.gz REPNOZXSMYAKJW-HXUWFJFHSA-N 2 0 333.520 2.705 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001222968759 1311203867 /nfs/dbraw/zinc/20/38/67/1311203867.db2.gz SXJDCNXWELHXBO-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223057930 1311213109 /nfs/dbraw/zinc/21/31/09/1311213109.db2.gz FQQOWTQTOLQTBY-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312749 1311232201 /nfs/dbraw/zinc/23/22/01/1311232201.db2.gz JGPKCZGIZBNVEM-XLIONFOSSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001101549071 1311248661 /nfs/dbraw/zinc/24/86/61/1311248661.db2.gz ZKDBKTPJUQPTKP-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001101567966 1311250213 /nfs/dbraw/zinc/25/02/13/1311250213.db2.gz IDWSJBPDKPNHDG-UHFFFAOYSA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223512251 1311270846 /nfs/dbraw/zinc/27/08/46/1311270846.db2.gz CWUMXVLIHVDYGR-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001223578516 1311277460 /nfs/dbraw/zinc/27/74/60/1311277460.db2.gz YQBSPLLIKOVRTN-MOPGFXCFSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001223693830 1311293022 /nfs/dbraw/zinc/29/30/22/1311293022.db2.gz HNXAIKLDMYPCIY-LJQANCHMSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190179 1311293284 /nfs/dbraw/zinc/29/32/84/1311293284.db2.gz VHYNEHCBDQQUJN-QZTJIDSGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430483 1311309316 /nfs/dbraw/zinc/30/93/16/1311309316.db2.gz RZKDIZUCIGIFBO-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223846537 1311311374 /nfs/dbraw/zinc/31/13/74/1311311374.db2.gz NWVBFXHMZJJZPY-MOPGFXCFSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495410 1311360447 /nfs/dbraw/zinc/36/04/47/1311360447.db2.gz BDBQDBZVDNGFNE-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001224216069 1311361988 /nfs/dbraw/zinc/36/19/88/1311361988.db2.gz YNLXPGZZMTUYOS-LJQANCHMSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001224232767 1311364103 /nfs/dbraw/zinc/36/41/03/1311364103.db2.gz FYRIYOCMJCXAFE-QYZOEREBSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980356 1311405975 /nfs/dbraw/zinc/40/59/75/1311405975.db2.gz WKGWPAVZVKWJCH-CTNGQTDRSA-N 2 0 347.547 2.692 20 30 EFEDRP C#CCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980359 1311406077 /nfs/dbraw/zinc/40/60/77/1311406077.db2.gz WKGWPAVZVKWJCH-TZIWHRDSSA-N 2 0 347.547 2.692 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001225143107 1311481818 /nfs/dbraw/zinc/48/18/18/1311481818.db2.gz TWZTYIQWCHDFEM-OAQYLSRUSA-N 2 0 343.515 2.868 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014434310 1311514075 /nfs/dbraw/zinc/51/40/75/1311514075.db2.gz LSSUHQHZSMTZBH-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+]([C@H](C)CCC=C)CC2)CC1 ZINC001225557915 1311542347 /nfs/dbraw/zinc/54/23/47/1311542347.db2.gz WFYFAALVNYKSKH-GOSISDBHSA-N 2 0 345.531 2.515 20 30 EFEDRP C=CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571615 1311545713 /nfs/dbraw/zinc/54/57/13/1311545713.db2.gz PYGFYKMFIUHAGX-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131472 1311650296 /nfs/dbraw/zinc/65/02/96/1311650296.db2.gz MZQNWQTVGNLFCY-RTBURBONSA-N 2 0 331.504 2.575 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131322 1311650435 /nfs/dbraw/zinc/65/04/35/1311650435.db2.gz LKRGGRWZUFFKKY-RBUKOAKNSA-N 2 0 331.504 2.575 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001160142714 1311653692 /nfs/dbraw/zinc/65/36/92/1311653692.db2.gz UHSACFFXKAHBAE-LJQANCHMSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155452 1311656231 /nfs/dbraw/zinc/65/62/31/1311656231.db2.gz GIFBQJHQFJJWHR-PXNSSMCTSA-N 2 0 345.531 2.821 20 30 EFEDRP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001160285125 1311679882 /nfs/dbraw/zinc/67/98/82/1311679882.db2.gz BIQIPFOWUFRRHD-IBGZPJMESA-N 2 0 333.520 2.965 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160291684 1311681445 /nfs/dbraw/zinc/68/14/45/1311681445.db2.gz JABNLFHKTVZSQS-UHFFFAOYSA-N 2 0 333.501 2.748 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293414 1311682200 /nfs/dbraw/zinc/68/22/00/1311682200.db2.gz WUYAODDTNOWMIZ-UHFFFAOYSA-N 2 0 345.512 2.585 20 30 EFEDRP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160359922 1311696516 /nfs/dbraw/zinc/69/65/16/1311696516.db2.gz GJQQJIQCVTXTCH-FQEVSTJZSA-N 2 0 343.515 2.555 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467248 1311716982 /nfs/dbraw/zinc/71/69/82/1311716982.db2.gz PUBVTIPQGVFYIO-MOPGFXCFSA-N 2 0 331.504 2.718 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001226775631 1311721144 /nfs/dbraw/zinc/72/11/44/1311721144.db2.gz VAUKZDZNBWDHQC-QRVBRYPASA-N 2 0 333.520 2.987 20 30 EFEDRP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499771 1311722713 /nfs/dbraw/zinc/72/27/13/1311722713.db2.gz ICMVVAQXJXVLCD-HKUYNNGSSA-N 2 0 333.520 2.964 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277153185 1311727045 /nfs/dbraw/zinc/72/70/45/1311727045.db2.gz XZCZXBDYJRLLOG-FXAWDEMLSA-N 2 0 333.520 2.750 20 30 EFEDRP C[C@@H](CS)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227165228 1311770946 /nfs/dbraw/zinc/77/09/46/1311770946.db2.gz QEDQLHKJQGNZQI-AWEZNQCLSA-N 3 0 339.549 2.569 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227193208 1311775307 /nfs/dbraw/zinc/77/53/07/1311775307.db2.gz JOZUYRLGZMDFQK-QZTJIDSGSA-N 2 0 330.476 2.501 20 30 EFEDRP C#CCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160778064 1311779072 /nfs/dbraw/zinc/77/90/72/1311779072.db2.gz FGZZRYFOSAOPQK-UHFFFAOYSA-N 2 0 345.531 2.803 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902481606 1311781682 /nfs/dbraw/zinc/78/16/82/1311781682.db2.gz FNOGGAAAANSDDK-FQEVSTJZSA-N 2 0 326.488 2.644 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1CNc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001160958077 1311821097 /nfs/dbraw/zinc/82/10/97/1311821097.db2.gz ZONRXFWSODKAFT-INIZCTEOSA-N 3 0 330.476 2.617 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277224525 1311828475 /nfs/dbraw/zinc/82/84/75/1311828475.db2.gz CECYEBNMJYXOJJ-XLIONFOSSA-N 2 0 335.536 2.974 20 30 EFEDRP CCCCCCCC[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277232363 1311841166 /nfs/dbraw/zinc/84/11/66/1311841166.db2.gz YNTZXVAVUFPBNI-GOSISDBHSA-N 2 0 335.536 2.879 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001227792684 1311856177 /nfs/dbraw/zinc/85/61/77/1311856177.db2.gz RKUDZXGVZNYYIH-ZWKOTPCHSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101612 1311857314 /nfs/dbraw/zinc/85/73/14/1311857314.db2.gz GSTDWIGMDDZACP-QGZVFWFLSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001048531875 1311870506 /nfs/dbraw/zinc/87/05/06/1311870506.db2.gz IRXIPWLRKFBPSU-HAGHYFMRSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382863 1311874503 /nfs/dbraw/zinc/87/45/03/1311874503.db2.gz BWAHWAPWRMFBPC-SFHVURJKSA-N 2 0 333.520 2.965 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383036 1311874584 /nfs/dbraw/zinc/87/45/84/1311874584.db2.gz GAHDXPPYMBRROU-GOSISDBHSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048538020 1311878079 /nfs/dbraw/zinc/87/80/79/1311878079.db2.gz IGSPGLQWFJTSMF-RDGPPVDQSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[C@@H]3CCCC[NH+]13)C2 ZINC001048538504 1311878736 /nfs/dbraw/zinc/87/87/36/1311878736.db2.gz XMRSBNZUDPZRSX-UHZRXMQZSA-N 2 0 345.531 2.939 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001227953184 1311878793 /nfs/dbraw/zinc/87/87/93/1311878793.db2.gz CTFIDFCDWKVIHC-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[C@H]3CCCC[NH+]31)C2 ZINC001048538502 1311879258 /nfs/dbraw/zinc/87/92/58/1311879258.db2.gz XMRSBNZUDPZRSX-OBKDMQGPSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545635 1311888737 /nfs/dbraw/zinc/88/87/37/1311888737.db2.gz GSAYGJXWBOWTBP-VBUUOAMHSA-N 2 0 338.455 2.883 20 30 EFEDRP CC#CCCCCCCCC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445058 1311891744 /nfs/dbraw/zinc/89/17/44/1311891744.db2.gz MSTRYRSCMWJXDX-LJQANCHMSA-N 2 0 335.536 2.883 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001228168374 1311910136 /nfs/dbraw/zinc/91/01/36/1311910136.db2.gz ZVSQJLWVJICCRA-AQNXPRMDSA-N 2 0 345.531 2.824 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555173 1311914337 /nfs/dbraw/zinc/91/43/37/1311914337.db2.gz ZFXBJZNJUVDAKY-UHFFFAOYSA-N 2 0 333.520 2.823 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]3CCC[NH+]31)C2 ZINC001048570473 1311917957 /nfs/dbraw/zinc/91/79/57/1311917957.db2.gz PMQGFDAOGYDMHO-KNJMJIDISA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001048583901 1311934292 /nfs/dbraw/zinc/93/42/92/1311934292.db2.gz NHHXBYLRICVITF-BJWYYQGGSA-N 2 0 342.487 2.697 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001228414980 1311944088 /nfs/dbraw/zinc/94/40/88/1311944088.db2.gz DMSVBSYJJITGOT-VQIMIIECSA-N 2 0 333.520 2.796 20 30 EFEDRP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161679318 1311949342 /nfs/dbraw/zinc/94/93/42/1311949342.db2.gz ZEOMWSRGUOQGQH-FQEVSTJZSA-N 2 0 345.531 2.803 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161705168 1311956023 /nfs/dbraw/zinc/95/60/23/1311956023.db2.gz MSVCSDWIBWVSSU-RBUKOAKNSA-N 2 0 333.520 2.821 20 30 EFEDRP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716310 1311958687 /nfs/dbraw/zinc/95/86/87/1311958687.db2.gz MAERQTMGXRTUGX-QGZVFWFLSA-N 2 0 331.504 2.575 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723466 1311959975 /nfs/dbraw/zinc/95/99/75/1311959975.db2.gz PHTCODWVBMWMQZ-UHFFFAOYSA-N 2 0 342.487 2.866 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001228640322 1311974357 /nfs/dbraw/zinc/97/43/57/1311974357.db2.gz UKGQGEOHIDIYRE-WOJBJXKFSA-N 2 0 343.515 2.754 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001228864577 1312012486 /nfs/dbraw/zinc/01/24/86/1312012486.db2.gz NGUVDRXRKIKQQM-HNNXBMFYSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953623 1312012532 /nfs/dbraw/zinc/01/25/32/1312012532.db2.gz YNODSKSOHWEMMJ-IBGZPJMESA-N 2 0 333.520 2.821 20 30 EFEDRP CCCCCCC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162321818 1312086795 /nfs/dbraw/zinc/08/67/95/1312086795.db2.gz ABJMDIHWTHXRSC-UHFFFAOYSA-N 2 0 343.475 2.947 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001229632912 1312122014 /nfs/dbraw/zinc/12/20/14/1312122014.db2.gz OQGFZXZLXMKFOP-SBHAEUEKSA-N 2 0 341.499 2.504 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001162826544 1312185211 /nfs/dbraw/zinc/18/52/11/1312185211.db2.gz GQXCSPXEGAHBKB-IBGZPJMESA-N 2 0 349.494 2.513 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001162836975 1312187278 /nfs/dbraw/zinc/18/72/78/1312187278.db2.gz YTCBNVOSBBMWML-FQEVSTJZSA-N 2 0 345.531 2.810 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906938 1312200836 /nfs/dbraw/zinc/20/08/36/1312200836.db2.gz UUTOJPCVAMGBCQ-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[NH+](CC)CC ZINC001162960218 1312212376 /nfs/dbraw/zinc/21/23/76/1312212376.db2.gz PVKMWVUBJDBEIX-UHFFFAOYSA-N 2 0 331.504 2.565 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001162982830 1312218480 /nfs/dbraw/zinc/21/84/80/1312218480.db2.gz QYUGCRZRYFNDLB-FQEVSTJZSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001162982799 1312218519 /nfs/dbraw/zinc/21/85/19/1312218519.db2.gz PLNMBJQLBDMCMP-FQEVSTJZSA-N 2 0 343.515 2.565 20 30 EFEDRP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001163001905 1312223544 /nfs/dbraw/zinc/22/35/44/1312223544.db2.gz PZNALLWFLURCLQ-KDURUIRLSA-N 2 0 343.515 2.706 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001230342345 1312225707 /nfs/dbraw/zinc/22/57/07/1312225707.db2.gz JXUVYOLGIBOIOP-UHFFFAOYSA-N 2 0 329.488 2.909 20 30 EFEDRP N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230516173 1312251758 /nfs/dbraw/zinc/25/17/58/1312251758.db2.gz OYLFJACWEXJIHU-INIZCTEOSA-N 2 0 333.395 2.670 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591550 1312275694 /nfs/dbraw/zinc/27/56/94/1312275694.db2.gz BTZURDFYIQPZBS-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001230591752 1312276014 /nfs/dbraw/zinc/27/60/14/1312276014.db2.gz ILZUVLSWADAYJO-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598613 1312278780 /nfs/dbraw/zinc/27/87/80/1312278780.db2.gz UUMFVCOXEWSEKK-OALUTQOASA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230606744 1312281501 /nfs/dbraw/zinc/28/15/01/1312281501.db2.gz ZKOJTYZSOWEZKX-SFHVURJKSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001230613196 1312283760 /nfs/dbraw/zinc/28/37/60/1312283760.db2.gz MBNTVFGOCFWXKQ-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230618444 1312285459 /nfs/dbraw/zinc/28/54/59/1312285459.db2.gz ORHAHYVHLZNVFA-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230618386 1312285866 /nfs/dbraw/zinc/28/58/66/1312285866.db2.gz MICQQMNFOACEQM-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001230617926 1312285961 /nfs/dbraw/zinc/28/59/61/1312285961.db2.gz IIBLCOMUXILAGZ-QGZVFWFLSA-N 2 0 341.927 2.784 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622248 1312287245 /nfs/dbraw/zinc/28/72/45/1312287245.db2.gz LWOPVFBCPNPHFM-HXUWFJFHSA-N 2 0 345.531 2.589 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230621884 1312287757 /nfs/dbraw/zinc/28/77/57/1312287757.db2.gz IFSWUPIBOCDJRV-FQEVSTJZSA-N 2 0 345.531 2.589 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230622192 1312287904 /nfs/dbraw/zinc/28/79/04/1312287904.db2.gz KMUYGBKTGOWIDP-HXUWFJFHSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230621837 1312288045 /nfs/dbraw/zinc/28/80/45/1312288045.db2.gz HPPNFQMKJROIDR-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230628015 1312289980 /nfs/dbraw/zinc/28/99/80/1312289980.db2.gz FLRCEUBDVUWTFV-QGZVFWFLSA-N 2 0 341.927 2.782 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230628131 1312290025 /nfs/dbraw/zinc/29/00/25/1312290025.db2.gz HHAHTYSRDCGDHJ-LJQANCHMSA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714086 1312297336 /nfs/dbraw/zinc/29/73/36/1312297336.db2.gz UAJQLEZYFSSVDZ-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP CC(=NCc1cccc(C[NH3+])c1)Nc1cc(Cl)nc2c1CC[NH2+]C2 ZINC001163473182 1312320765 /nfs/dbraw/zinc/32/07/65/1312320765.db2.gz LEMPNZJJEAHAOR-UHFFFAOYSA-N 2 0 343.862 2.870 20 30 EFEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781757 1312340939 /nfs/dbraw/zinc/34/09/39/1312340939.db2.gz VSIZGZIPUVODHH-IBGZPJMESA-N 2 0 346.519 2.552 20 30 EFEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001164540379 1312536174 /nfs/dbraw/zinc/53/61/74/1312536174.db2.gz JFDPXGUIHXGUDS-GOSISDBHSA-N 2 0 345.531 2.540 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001231819540 1312569787 /nfs/dbraw/zinc/56/97/87/1312569787.db2.gz BJIVCXPRGKSTPV-UHFFFAOYSA-N 2 0 326.488 2.954 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049232786 1312607631 /nfs/dbraw/zinc/60/76/31/1312607631.db2.gz ZOJTUCGRCPAMIS-BGYRXZFFSA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049234640 1312609656 /nfs/dbraw/zinc/60/96/56/1312609656.db2.gz GXFUFJCYXVSXAZ-KDURUIRLSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165484478 1312636515 /nfs/dbraw/zinc/63/65/15/1312636515.db2.gz FEWJDMAQFIMQBE-SFHVURJKSA-N 2 0 335.536 2.949 20 30 EFEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001052858190 1314425879 /nfs/dbraw/zinc/42/58/79/1314425879.db2.gz AAKQLBFTFSBWMH-MOPGFXCFSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857521 1314426295 /nfs/dbraw/zinc/42/62/95/1314426295.db2.gz OEHFAUICHJJFOA-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857739 1314426308 /nfs/dbraw/zinc/42/63/08/1314426308.db2.gz SOTFRMSPODRGKW-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211233470 1314460991 /nfs/dbraw/zinc/46/09/91/1314460991.db2.gz GCZYJDUTBDFUTJ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211250933 1314463553 /nfs/dbraw/zinc/46/35/53/1314463553.db2.gz YPLGRJIWWJVOHT-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)CC2)CC1 ZINC001052953732 1314513453 /nfs/dbraw/zinc/51/34/53/1314513453.db2.gz GYLMBDNOWQKPRB-FQEVSTJZSA-N 2 0 347.547 2.739 20 30 EFEDRP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@]1(O)CCCC[NH2+]C1 ZINC001245976347 1314557980 /nfs/dbraw/zinc/55/79/80/1314557980.db2.gz SAZJZFZACHNMAD-RTBURBONSA-N 2 0 328.541 2.972 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048312 1314574449 /nfs/dbraw/zinc/57/44/49/1314574449.db2.gz WQXQMKXGDNTYPJ-TUVJXNFZSA-N 2 0 326.525 2.784 20 30 EFEDRP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246050488 1314574670 /nfs/dbraw/zinc/57/46/70/1314574670.db2.gz WXVXQFUUACSAIZ-UXHICEINSA-N 2 0 339.568 2.985 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053027826 1314598121 /nfs/dbraw/zinc/59/81/21/1314598121.db2.gz HRTZISNJLYXZFQ-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053028341 1314599280 /nfs/dbraw/zinc/59/92/80/1314599280.db2.gz LEVFQFPPFZEBMQ-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053030019 1314604482 /nfs/dbraw/zinc/60/44/82/1314604482.db2.gz ZYAZJLJZUVRVFC-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030723 1314605318 /nfs/dbraw/zinc/60/53/18/1314605318.db2.gz GUVBCMBANFIBJO-RTBURBONSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042434 1314623125 /nfs/dbraw/zinc/62/31/25/1314623125.db2.gz PWEQNNYZKVNQTD-RTBURBONSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001053042429 1314623333 /nfs/dbraw/zinc/62/33/33/1314623333.db2.gz PWEQNNYZKVNQTD-OALUTQOASA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001053045182 1314628561 /nfs/dbraw/zinc/62/85/61/1314628561.db2.gz XQULGEUSTLDNLJ-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C[C@@H]1CC[C@H](N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246442887 1314629780 /nfs/dbraw/zinc/62/97/80/1314629780.db2.gz QVALJSNHBRCWFH-XLNTUCKNSA-N 2 0 326.488 2.771 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001053050168 1314636252 /nfs/dbraw/zinc/63/62/52/1314636252.db2.gz IAKYRYHQWDHDHK-OALUTQOASA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC001246528717 1314642022 /nfs/dbraw/zinc/64/20/22/1314642022.db2.gz ZYHPRWOOIBMGFP-IRXDYDNUSA-N 2 0 335.492 2.628 20 30 EFEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC001246528715 1314642357 /nfs/dbraw/zinc/64/23/57/1314642357.db2.gz ZYHPRWOOIBMGFP-DLBZAZTESA-N 2 0 335.492 2.628 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)cc1 ZINC001246791193 1314683049 /nfs/dbraw/zinc/68/30/49/1314683049.db2.gz NVUJPNZGRABYCK-UHFFFAOYSA-N 2 0 338.499 2.993 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088425 1314695435 /nfs/dbraw/zinc/69/54/35/1314695435.db2.gz VCDTVPTVAYJBGB-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088424 1314696412 /nfs/dbraw/zinc/69/64/12/1314696412.db2.gz VCDTVPTVAYJBGB-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP N#Cc1ccc(N2CC[NH+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC2)c(F)c1 ZINC001246863863 1314698679 /nfs/dbraw/zinc/69/86/79/1314698679.db2.gz LZFVANDICAPLKG-PXNSSMCTSA-N 2 0 342.462 2.742 20 30 EFEDRP N#Cc1ccc(N2CC[NH+]([C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001246863900 1314698894 /nfs/dbraw/zinc/69/88/94/1314698894.db2.gz GUMLMTRXLMEIRS-QGZVFWFLSA-N 2 0 342.462 2.742 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](C3CCC4(CC[NH2+]C4)CC3)CC2)c(F)c1 ZINC001246868256 1314699316 /nfs/dbraw/zinc/69/93/16/1314699316.db2.gz ROGWIQJBQBNAQS-UHFFFAOYSA-N 2 0 342.462 2.742 20 30 EFEDRP CCCCCCC[C@H](CCC)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923654 1314709024 /nfs/dbraw/zinc/70/90/24/1314709024.db2.gz DOTYHPKWSSNHAN-SFHVURJKSA-N 3 0 342.572 2.631 20 30 EFEDRP C=CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001053098955 1314713722 /nfs/dbraw/zinc/71/37/22/1314713722.db2.gz RILRMXBAXYXARF-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636552 1314718995 /nfs/dbraw/zinc/71/89/95/1314718995.db2.gz LVTIFTTXKAQKKB-ZHALLVOQSA-N 2 0 333.520 2.654 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646184 1314719948 /nfs/dbraw/zinc/71/99/48/1314719948.db2.gz MGPLUMZCZDMJAW-NZSAHSFTSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103961 1314723511 /nfs/dbraw/zinc/72/35/11/1314723511.db2.gz BEBKUOXNBRXBHX-UXHICEINSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053103884 1314724198 /nfs/dbraw/zinc/72/41/98/1314724198.db2.gz ARTXYWTZUALHMB-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105412 1314727848 /nfs/dbraw/zinc/72/78/48/1314727848.db2.gz OIIZDTXZBJZVRE-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108099 1314733275 /nfs/dbraw/zinc/73/32/75/1314733275.db2.gz PEFWGEQJNMXHHI-RTBURBONSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216336179 1314941450 /nfs/dbraw/zinc/94/14/50/1314941450.db2.gz XUAZCYAXKOFVQI-YFVAEKQCSA-N 2 0 343.515 2.866 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216352266 1314943823 /nfs/dbraw/zinc/94/38/23/1314943823.db2.gz LFWULTFVIBRBGH-QRQLOZEOSA-N 2 0 329.488 2.692 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001216353211 1314944194 /nfs/dbraw/zinc/94/41/94/1314944194.db2.gz WQMNYCIJXDLFIB-QRQLOZEOSA-N 2 0 329.488 2.692 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001216630880 1314984500 /nfs/dbraw/zinc/98/45/00/1314984500.db2.gz SQFMZTHMVLKGPK-SJLPKXTDSA-N 2 0 332.492 2.536 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001216828957 1315013207 /nfs/dbraw/zinc/01/32/07/1315013207.db2.gz QUWPBEAONLCTSJ-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCc3sccc3C2)C[C@H]1C ZINC001216830295 1315013378 /nfs/dbraw/zinc/01/33/78/1315013378.db2.gz OEEYNCPATGALEP-NVXWUHKLSA-N 2 0 347.528 2.509 20 30 EFEDRP c1ccc([S+](CCOC[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC001217821329 1315114593 /nfs/dbraw/zinc/11/45/93/1315114593.db2.gz ISTANVZLHIQPPE-QGZVFWFLSA-N 2 0 330.473 2.728 20 30 EFEDRP C=C1CC[NH2+]C[C@@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218203208 1315163199 /nfs/dbraw/zinc/16/31/99/1315163199.db2.gz CSHSQQBCMUPHBN-IBGZPJMESA-N 2 0 338.455 2.772 20 30 EFEDRP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001218457048 1315199579 /nfs/dbraw/zinc/19/95/79/1315199579.db2.gz BQCOEIDUSASKPL-WOJBJXKFSA-N 2 0 329.488 2.904 20 30 EFEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001218973229 1315266724 /nfs/dbraw/zinc/26/67/24/1315266724.db2.gz XTRFBTGVLXMENM-GOSISDBHSA-N 2 0 334.423 2.925 20 30 EFEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001218996513 1315271239 /nfs/dbraw/zinc/27/12/39/1315271239.db2.gz YCZNZDQGSBKLHH-AWEZNQCLSA-N 2 0 340.830 2.785 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001054135195 1315346955 /nfs/dbraw/zinc/34/69/55/1315346955.db2.gz WCUNXLLLYTVZDP-NLWGTHIKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001054141386 1315356267 /nfs/dbraw/zinc/35/62/67/1315356267.db2.gz KGXTXOINKDNIFJ-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142459 1315359113 /nfs/dbraw/zinc/35/91/13/1315359113.db2.gz CGKSBAUABKMOGS-PZJWPPBQSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144168 1315361215 /nfs/dbraw/zinc/36/12/15/1315361215.db2.gz RAGSBDQKFZNOER-PZJWPPBQSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145234 1315363952 /nfs/dbraw/zinc/36/39/52/1315363952.db2.gz NKBUBHZQCDDBMR-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147127 1315368425 /nfs/dbraw/zinc/36/84/25/1315368425.db2.gz KTMDZYIBBDIKDO-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001054151785 1315375016 /nfs/dbraw/zinc/37/50/16/1315375016.db2.gz RPOUTEKCTMNDFU-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001054158620 1315386494 /nfs/dbraw/zinc/38/64/94/1315386494.db2.gz NTVUKXOZRSKNMI-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054169918 1315403880 /nfs/dbraw/zinc/40/38/80/1315403880.db2.gz AOJPTOWMWGEWPE-PZJWPPBQSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182456 1315423045 /nfs/dbraw/zinc/42/30/45/1315423045.db2.gz KOZIBHFJOFHJST-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183115 1315423717 /nfs/dbraw/zinc/42/37/17/1315423717.db2.gz YJKMOBUXOXQSIA-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191839 1315433326 /nfs/dbraw/zinc/43/33/26/1315433326.db2.gz NERDZRCXLKHZGS-QUCCMNQESA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054198011 1315443143 /nfs/dbraw/zinc/44/31/43/1315443143.db2.gz NIYRXRPYROZKPO-SJLPKXTDSA-N 2 0 339.911 2.538 20 30 EFEDRP C=CCOC[C@@H](O)C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001252460528 1315452351 /nfs/dbraw/zinc/45/23/51/1315452351.db2.gz CPCNZBKGKKOOPE-PKOBYXMFSA-N 2 0 348.487 2.520 20 30 EFEDRP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209882 1315461555 /nfs/dbraw/zinc/46/15/55/1315461555.db2.gz ZVIPDBSEJOWCIS-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001252552192 1315466840 /nfs/dbraw/zinc/46/68/40/1315466840.db2.gz HQTFTIHCZWMKRU-UXHICEINSA-N 2 0 344.499 2.679 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221037854 1315475702 /nfs/dbraw/zinc/47/57/02/1315475702.db2.gz WIVWHQFEEWPYKE-LJQANCHMSA-N 2 0 345.462 2.635 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219890 1315476630 /nfs/dbraw/zinc/47/66/30/1315476630.db2.gz YYZFUVIRGBCGAB-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054221814 1315478485 /nfs/dbraw/zinc/47/84/85/1315478485.db2.gz CLADVEHWSWJGJE-FQEVSTJZSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054222883 1315479891 /nfs/dbraw/zinc/47/98/91/1315479891.db2.gz KVQYWAHXAQCGGV-OAQYLSRUSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039132525 1315515041 /nfs/dbraw/zinc/51/50/41/1315515041.db2.gz NMNXHBMSGXWYRW-SLFFLAALSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245537 1315516789 /nfs/dbraw/zinc/51/67/89/1315516789.db2.gz VEVFAZJIECTRMT-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039134487 1315518351 /nfs/dbraw/zinc/51/83/51/1315518351.db2.gz QPTUGYPOEDVBOA-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001039139798 1315528727 /nfs/dbraw/zinc/52/87/27/1315528727.db2.gz JWKFYUHPWNKERG-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001039141008 1315530884 /nfs/dbraw/zinc/53/08/84/1315530884.db2.gz NAZAIVWWFGGHIH-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001039145236 1315538529 /nfs/dbraw/zinc/53/85/29/1315538529.db2.gz XJAHRHTXOLJFDI-VQTJNVASSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001039153004 1315547973 /nfs/dbraw/zinc/54/79/73/1315547973.db2.gz MRGLHDYCKRHTKQ-YSIASYRMSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221555765 1315550422 /nfs/dbraw/zinc/55/04/22/1315550422.db2.gz XSLWPKPIUZALNT-VAMGGRTRSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC001039167182 1315568989 /nfs/dbraw/zinc/56/89/89/1315568989.db2.gz NTKNFUOACGMEFU-PMACEKPBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCCCCC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001253238528 1315583332 /nfs/dbraw/zinc/58/33/32/1315583332.db2.gz FQGPNMIASWHWDD-HXUWFJFHSA-N 2 0 337.552 2.586 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039182495 1315589973 /nfs/dbraw/zinc/58/99/73/1315589973.db2.gz PBURGQDMGQHXBE-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039183135 1315591474 /nfs/dbraw/zinc/59/14/74/1315591474.db2.gz WSGCRRLZGJFNDF-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C[C@H](O)C[NH+]1CCC2(CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC001253576060 1315616273 /nfs/dbraw/zinc/61/62/73/1315616273.db2.gz JNZWHNLYXGFDHQ-IBGZPJMESA-N 2 0 344.499 2.920 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205254 1315617956 /nfs/dbraw/zinc/61/79/56/1315617956.db2.gz NXZYFEIWPOSYEY-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205253 1315617999 /nfs/dbraw/zinc/61/79/99/1315617999.db2.gz NXZYFEIWPOSYEY-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001039208317 1315621242 /nfs/dbraw/zinc/62/12/42/1315621242.db2.gz CENNCFZXPGMGQT-FUHWJXTLSA-N 2 0 330.476 2.621 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225458 1315646425 /nfs/dbraw/zinc/64/64/25/1315646425.db2.gz OIVBIMGULVJVFW-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225455 1315646450 /nfs/dbraw/zinc/64/64/50/1315646450.db2.gz OIVBIMGULVJVFW-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225738 1315646729 /nfs/dbraw/zinc/64/67/29/1315646729.db2.gz QVUIFXIQHRPQRI-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)CN1CCC(C2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001000236704 1315649969 /nfs/dbraw/zinc/64/99/69/1315649969.db2.gz CXYODCLPEAKJOE-INIZCTEOSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001039234160 1315657178 /nfs/dbraw/zinc/65/71/78/1315657178.db2.gz PRCWGAXSIYMTPM-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039235510 1315659751 /nfs/dbraw/zinc/65/97/51/1315659751.db2.gz XZMHZBNXGWHYDQ-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236348 1315660928 /nfs/dbraw/zinc/66/09/28/1315660928.db2.gz ZHUKSVDNPOBZNE-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039236297 1315660976 /nfs/dbraw/zinc/66/09/76/1315660976.db2.gz YPGQSMUWVNHXCK-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP N#CC[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038660 1315667859 /nfs/dbraw/zinc/66/78/59/1315667859.db2.gz MUHCDXCTUWMESL-IBGZPJMESA-N 2 0 327.472 2.639 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039276902 1315698276 /nfs/dbraw/zinc/69/82/76/1315698276.db2.gz PTLIJWGNLGTTPO-XVLXNVKGSA-N 2 0 333.520 2.937 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039282180 1315700564 /nfs/dbraw/zinc/70/05/64/1315700564.db2.gz FPCDDDQVEPCIFT-XVLXNVKGSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039284332 1315701480 /nfs/dbraw/zinc/70/14/80/1315701480.db2.gz LDEBHTRYTGWNFS-ALOPSCKCSA-N 2 0 338.455 2.944 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039287709 1315702722 /nfs/dbraw/zinc/70/27/22/1315702722.db2.gz LSMBKZVJQFHEOZ-IPQPSQTFSA-N 2 0 331.504 2.549 20 30 EFEDRP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039297806 1315706849 /nfs/dbraw/zinc/70/68/49/1315706849.db2.gz ARVXSVBCXODCDQ-AYHJJNSGSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001039298227 1315707261 /nfs/dbraw/zinc/70/72/61/1315707261.db2.gz QLNVNKYCUXFVIQ-LNRIEFBSSA-N 2 0 339.911 2.582 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039309108 1315712365 /nfs/dbraw/zinc/71/23/65/1315712365.db2.gz TWVZPYMFNHHGAW-IHWFROFDSA-N 2 0 345.531 2.796 20 30 EFEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[NH+](C)CC1)[C@H]2CC ZINC001254517702 1315714835 /nfs/dbraw/zinc/71/48/35/1315714835.db2.gz JELBEXQNWXEFFE-BJLQDIEVSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039313938 1315715005 /nfs/dbraw/zinc/71/50/05/1315715005.db2.gz YMXPIOKDQHSOCB-IPQPSQTFSA-N 2 0 333.520 2.795 20 30 EFEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039313939 1315715077 /nfs/dbraw/zinc/71/50/77/1315715077.db2.gz YMXPIOKDQHSOCB-XVLXNVKGSA-N 2 0 333.520 2.795 20 30 EFEDRP C[N@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254646888 1315734563 /nfs/dbraw/zinc/73/45/63/1315734563.db2.gz PSEDQFTUQBRKBD-HOTGVXAUSA-N 2 0 338.496 2.505 20 30 EFEDRP C[N@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254646889 1315734963 /nfs/dbraw/zinc/73/49/63/1315734963.db2.gz PSEDQFTUQBRKBD-HZPDHXFCSA-N 2 0 338.496 2.505 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048846 1315740903 /nfs/dbraw/zinc/74/09/03/1315740903.db2.gz ORERTOZCLUBOBG-NLWGTHIKSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039386940 1315756092 /nfs/dbraw/zinc/75/60/92/1315756092.db2.gz LFYCHAJNEUQJFA-QYZOEREBSA-N 2 0 331.504 2.645 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401876 1315766774 /nfs/dbraw/zinc/76/67/74/1315766774.db2.gz XNTODSBLIPHLER-MSOLQXFVSA-N 2 0 338.455 2.979 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001039411460 1315773808 /nfs/dbraw/zinc/77/38/08/1315773808.db2.gz VQISXJVILQBCKE-MOPGFXCFSA-N 2 0 341.499 2.656 20 30 EFEDRP C=C(C)C(=O)NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255125214 1315779616 /nfs/dbraw/zinc/77/96/16/1315779616.db2.gz SAPOVIYHTOIAML-OWZKRDHZSA-N 2 0 341.499 2.854 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001050563353 1315782660 /nfs/dbraw/zinc/78/26/60/1315782660.db2.gz JNXADGTVMRQZSS-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001050563357 1315782942 /nfs/dbraw/zinc/78/29/42/1315782942.db2.gz JNXADGTVMRQZSS-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001050563466 1315783011 /nfs/dbraw/zinc/78/30/11/1315783011.db2.gz KWWDWVFLKGDDNH-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434155 1315789050 /nfs/dbraw/zinc/78/90/50/1315789050.db2.gz BRLQRUOUOCKELL-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447812 1315797618 /nfs/dbraw/zinc/79/76/18/1315797618.db2.gz KYXUEVYUNHLWJG-QRVBRYPASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001050718214 1315804928 /nfs/dbraw/zinc/80/49/28/1315804928.db2.gz QLXBTRPNNNGKOA-UHFFFAOYSA-N 2 0 333.520 2.607 20 30 EFEDRP [NH2+]=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC001255385309 1315814470 /nfs/dbraw/zinc/81/44/70/1315814470.db2.gz GDVKGCMSLPGZJN-QGZVFWFLSA-N 2 0 326.419 2.981 20 30 EFEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3CCC)cccc2C1 ZINC001051290005 1315843820 /nfs/dbraw/zinc/84/38/20/1315843820.db2.gz QGJPNFSLXXMMOL-FQEVSTJZSA-N 2 0 341.499 2.721 20 30 EFEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3CCC)cccc2C1 ZINC001051290006 1315843854 /nfs/dbraw/zinc/84/38/54/1315843854.db2.gz QGJPNFSLXXMMOL-HXUWFJFHSA-N 2 0 341.499 2.721 20 30 EFEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255674689 1315856639 /nfs/dbraw/zinc/85/66/39/1315856639.db2.gz SRIOMXCIUKVFND-JWTNVVGKSA-N 2 0 347.503 2.722 20 30 EFEDRP CN1CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256202130 1315916760 /nfs/dbraw/zinc/91/67/60/1315916760.db2.gz YSEYBZWOISIRPK-WGSAOQKQSA-N 2 0 326.488 2.724 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052427866 1315946025 /nfs/dbraw/zinc/94/60/25/1315946025.db2.gz BWXHJSXQJMPGIV-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513615 1315961606 /nfs/dbraw/zinc/96/16/06/1315961606.db2.gz HEPVCGUKRKOSJZ-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256576905 1315963251 /nfs/dbraw/zinc/96/32/51/1315963251.db2.gz VHTSRFGQAYDQHQ-UHFFFAOYSA-N 2 0 348.579 2.541 20 30 EFEDRP [NH2+]=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc2ccccc2n1 ZINC001256583605 1315964446 /nfs/dbraw/zinc/96/44/46/1315964446.db2.gz HPNZMSAUPSUZJW-UHFFFAOYSA-N 2 0 345.450 3.000 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001256623325 1315970887 /nfs/dbraw/zinc/97/08/87/1315970887.db2.gz NXIPIUMYHFEOTJ-NHJHPMQKSA-N 2 0 347.503 2.722 20 30 EFEDRP N#Cc1ccccc1OCCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683956 1315981533 /nfs/dbraw/zinc/98/15/33/1315981533.db2.gz JCFGXYJGIPLVFE-UHFFFAOYSA-N 2 0 343.471 2.560 20 30 EFEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855523 1315999605 /nfs/dbraw/zinc/99/96/05/1315999605.db2.gz NUGFLNGEZMTFRD-UHFFFAOYSA-N 3 0 337.471 2.717 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256861123 1316000552 /nfs/dbraw/zinc/00/05/52/1316000552.db2.gz PHGCAOXZEPMMNL-UHFFFAOYSA-N 2 0 347.466 2.744 20 30 EFEDRP N#CC1CCC([N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001256968248 1316015559 /nfs/dbraw/zinc/01/55/59/1316015559.db2.gz RFMYJJCONWNYLJ-UHFFFAOYSA-N 2 0 341.503 2.809 20 30 EFEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258014119 1316110402 /nfs/dbraw/zinc/11/04/02/1316110402.db2.gz CJOXUBICOOJFDK-WOJBJXKFSA-N 2 0 336.520 2.933 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040199975 1316139352 /nfs/dbraw/zinc/13/93/52/1316139352.db2.gz DIOYOXXKMMVXDL-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040264578 1316173774 /nfs/dbraw/zinc/17/37/74/1316173774.db2.gz PQUGKGTVNPTCEV-UYAOXDASSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040276606 1316179563 /nfs/dbraw/zinc/17/95/63/1316179563.db2.gz NXENVYXGZASKRP-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001040277269 1316180136 /nfs/dbraw/zinc/18/01/36/1316180136.db2.gz ZWQVLTSUNRWORL-FQEVSTJZSA-N 2 0 338.455 2.757 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040298742 1316191312 /nfs/dbraw/zinc/19/13/12/1316191312.db2.gz ZIJHNDIWHDOCHH-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327729 1316203950 /nfs/dbraw/zinc/20/39/50/1316203950.db2.gz HNHJMWXBDNHYSZ-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040348879 1316214713 /nfs/dbraw/zinc/21/47/13/1316214713.db2.gz TURXELGRHANBIT-FPOVZHCZSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001040357138 1316219965 /nfs/dbraw/zinc/21/99/65/1316219965.db2.gz NQPNUVSBDKYCFD-HXUWFJFHSA-N 2 0 345.487 2.845 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433248 1316263527 /nfs/dbraw/zinc/26/35/27/1316263527.db2.gz VCCJJENGBATMEM-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480084 1316287113 /nfs/dbraw/zinc/28/71/13/1316287113.db2.gz RMZJEYBPNYCQJK-NRFANRHFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040702737 1316355136 /nfs/dbraw/zinc/35/51/36/1316355136.db2.gz YIQQLWXQDWMNQD-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001040707815 1316356067 /nfs/dbraw/zinc/35/60/67/1316356067.db2.gz JNQFYLDZJLCMFW-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001040707890 1316356625 /nfs/dbraw/zinc/35/66/25/1316356625.db2.gz KSSGXBRJYPPXGC-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072109773 1316359240 /nfs/dbraw/zinc/35/92/40/1316359240.db2.gz MNXGODAIPWZLHR-IRXDYDNUSA-N 2 0 345.487 2.727 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040727430 1316361646 /nfs/dbraw/zinc/36/16/46/1316361646.db2.gz QZDLNPPQORVHGR-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040735316 1316363047 /nfs/dbraw/zinc/36/30/47/1316363047.db2.gz OQYRDJQIMCOZOJ-INIZCTEOSA-N 2 0 341.927 2.640 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040746081 1316365635 /nfs/dbraw/zinc/36/56/35/1316365635.db2.gz VNSVYTPFGSUEKM-RBUKOAKNSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001040773843 1316371536 /nfs/dbraw/zinc/37/15/36/1316371536.db2.gz AOFMYIUTRQJKSJ-UHFFFAOYSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001040797661 1316376942 /nfs/dbraw/zinc/37/69/42/1316376942.db2.gz CVNUTBGHQMGGFR-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040848255 1316389068 /nfs/dbraw/zinc/38/90/68/1316389068.db2.gz GYIGCGOUYUMQET-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001040882557 1316396656 /nfs/dbraw/zinc/39/66/56/1316396656.db2.gz FSIULVUWDZISFK-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040913110 1316403360 /nfs/dbraw/zinc/40/33/60/1316403360.db2.gz XFCPZWLKORBTMA-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040912742 1316403671 /nfs/dbraw/zinc/40/36/71/1316403671.db2.gz SYQVTIDLIJDWBP-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001040951123 1316410035 /nfs/dbraw/zinc/41/00/35/1316410035.db2.gz DNHHIBASDZRWJN-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041276246 1316498911 /nfs/dbraw/zinc/49/89/11/1316498911.db2.gz JOYXWMORCQLZND-QUCCMNQESA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041286617 1316503544 /nfs/dbraw/zinc/50/35/44/1316503544.db2.gz LSBNBPPBSARMHT-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041328262 1316516532 /nfs/dbraw/zinc/51/65/32/1316516532.db2.gz SXSNPSCDAXXTDW-GOSISDBHSA-N 2 0 333.501 2.534 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348668 1316523025 /nfs/dbraw/zinc/52/30/25/1316523025.db2.gz KWUIVBDGWBALHX-FPOVZHCZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001041348676 1316523312 /nfs/dbraw/zinc/52/33/12/1316523312.db2.gz KWUIVBDGWBALHX-TZIWHRDSSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041358456 1316527166 /nfs/dbraw/zinc/52/71/66/1316527166.db2.gz OKILEMNAPUHEPV-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041358025 1316527316 /nfs/dbraw/zinc/52/73/16/1316527316.db2.gz KNTXZZPWWCPCMX-ICSRJNTNSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041432494 1316550238 /nfs/dbraw/zinc/55/02/38/1316550238.db2.gz QJUYVQPGJJPBSF-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001041433153 1316550681 /nfs/dbraw/zinc/55/06/81/1316550681.db2.gz VRZUZWYXFKSVQZ-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440514 1316551683 /nfs/dbraw/zinc/55/16/83/1316551683.db2.gz OHMPJVLORRJKRN-IBGZPJMESA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041587815 1316609501 /nfs/dbraw/zinc/60/95/01/1316609501.db2.gz SIOIVEJVJNHVDX-PZJWPPBQSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)C1 ZINC001041665527 1316640712 /nfs/dbraw/zinc/64/07/12/1316640712.db2.gz UDGPFNJRYNLUHZ-OXQOHEQNSA-N 2 0 342.487 2.720 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667407 1316642078 /nfs/dbraw/zinc/64/20/78/1316642078.db2.gz DLRRJNLLJZEJCW-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041724850 1316667381 /nfs/dbraw/zinc/66/73/81/1316667381.db2.gz GMMIZMXLTBDBTM-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757215 1316683543 /nfs/dbraw/zinc/68/35/43/1316683543.db2.gz QYTWUTDLDSNSHV-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767698 1316688492 /nfs/dbraw/zinc/68/84/92/1316688492.db2.gz KSKOAIRHWHNCOB-OAQYLSRUSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776936 1316693210 /nfs/dbraw/zinc/69/32/10/1316693210.db2.gz FYTSASWGHIYXPB-OAQYLSRUSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776935 1316693365 /nfs/dbraw/zinc/69/33/65/1316693365.db2.gz FYTSASWGHIYXPB-NRFANRHFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001041844581 1316730519 /nfs/dbraw/zinc/73/05/19/1316730519.db2.gz LLGQPMZEJCYCAR-NRFANRHFSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041845573 1316731915 /nfs/dbraw/zinc/73/19/15/1316731915.db2.gz IRXLTMBXYXDNNB-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845964 1316732127 /nfs/dbraw/zinc/73/21/27/1316732127.db2.gz UJCAUVGEVHIOHU-AZUAARDMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062889 1316852782 /nfs/dbraw/zinc/85/27/82/1316852782.db2.gz PCJJOGMYQNGHTN-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062761 1316852938 /nfs/dbraw/zinc/85/29/38/1316852938.db2.gz OPPSJOKOMUDXAF-ROUUACIJSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042114837 1316887966 /nfs/dbraw/zinc/88/79/66/1316887966.db2.gz OZOMROIZRYMPGX-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121050 1316893084 /nfs/dbraw/zinc/89/30/84/1316893084.db2.gz DFSBGTUGQYWZIU-APWZRJJASA-N 2 0 338.455 2.755 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122639 1316894186 /nfs/dbraw/zinc/89/41/86/1316894186.db2.gz ACPWCVRWUNDVJU-AEFFLSMTSA-N 2 0 333.520 2.748 20 30 EFEDRP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125501 1316896976 /nfs/dbraw/zinc/89/69/76/1316896976.db2.gz UZYNDCSGNXVXRB-HKUYNNGSSA-N 2 0 345.531 2.586 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042136373 1316903082 /nfs/dbraw/zinc/90/30/82/1316903082.db2.gz UIXRRATUGDKPRV-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186185 1316939914 /nfs/dbraw/zinc/93/99/14/1316939914.db2.gz DRYMYKSFZBRYNY-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296880 1317108459 /nfs/dbraw/zinc/10/84/59/1317108459.db2.gz IDIAHWQXTHDOGB-HKUYNNGSSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001042363985 1317216941 /nfs/dbraw/zinc/21/69/41/1317216941.db2.gz BBLYKUCOBPVDMC-ICSRJNTNSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368125 1317223176 /nfs/dbraw/zinc/22/31/76/1317223176.db2.gz ODHCINKOBPYDJU-PXNSSMCTSA-N 2 0 341.499 2.861 20 30 EFEDRP N#Cc1cccnc1NCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001325581401 1329698480 /nfs/dbraw/zinc/69/84/80/1329698480.db2.gz ILVYFVPANJUTEM-UHFFFAOYSA-N 2 0 327.476 2.752 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC001326299619 1329745065 /nfs/dbraw/zinc/74/50/65/1329745065.db2.gz RXPXVRHWSVQOQM-FQEVSTJZSA-N 2 0 341.499 2.761 20 30 EFEDRP CCCCCCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001340296906 1332169416 /nfs/dbraw/zinc/16/94/16/1332169416.db2.gz KOGQBZQXNGVTQY-QWHCGFSZSA-N 2 0 338.521 2.976 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001340881820 1332217247 /nfs/dbraw/zinc/21/72/47/1332217247.db2.gz TXSIRNWGPMBVGJ-ZOBUZTSGSA-N 2 0 335.517 2.931 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616451 1332271491 /nfs/dbraw/zinc/27/14/91/1332271491.db2.gz YTTUIMMSEKGXRG-WDSOQIARSA-N 2 0 329.488 2.697 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC001341789503 1332284173 /nfs/dbraw/zinc/28/41/73/1332284173.db2.gz XZNNWLPSLMIMFP-KRWDZBQOSA-N 2 0 339.430 2.539 20 30 EFEDRP C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001343927007 1332391759 /nfs/dbraw/zinc/39/17/59/1332391759.db2.gz FTCVJYADDQHILN-INIZCTEOSA-N 2 0 346.523 2.541 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001344584736 1332464737 /nfs/dbraw/zinc/46/47/37/1332464737.db2.gz VEJMRIJZNOSEPG-XUVXKRRUSA-N 2 0 341.499 2.651 20 30 EFEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972229 1332891075 /nfs/dbraw/zinc/89/10/75/1332891075.db2.gz IAIIUQDJIRUWKI-GOSISDBHSA-N 2 0 342.487 2.844 20 30 EFEDRP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001200577881 1334138863 /nfs/dbraw/zinc/13/88/63/1334138863.db2.gz IVGMMLNSZSLOAT-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570790 1335317025 /nfs/dbraw/zinc/31/70/25/1335317025.db2.gz OZFKADNGEMVWAX-WDSOQIARSA-N 2 0 329.488 2.697 20 30 EFEDRP COC1CC[NH+](C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000849101984 1335551835 /nfs/dbraw/zinc/55/18/35/1335551835.db2.gz HLEFHNGWBXFFSZ-UHFFFAOYSA-N 2 0 346.519 2.583 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001367663254 1338912868 /nfs/dbraw/zinc/91/28/68/1338912868.db2.gz RZHIFKHQFRNMDO-WMLDXEAASA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001367663252 1338912994 /nfs/dbraw/zinc/91/29/94/1338912994.db2.gz RZHIFKHQFRNMDO-PBHICJAKSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370309067 1340026090 /nfs/dbraw/zinc/02/60/90/1340026090.db2.gz DHCXGVAAODNLPF-QGZVFWFLSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001375174549 1342490278 /nfs/dbraw/zinc/49/02/78/1342490278.db2.gz FVFTYYPHCMTLML-HOTGVXAUSA-N 2 0 343.943 2.981 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001376954844 1343984607 /nfs/dbraw/zinc/98/46/07/1343984607.db2.gz JYAQHKAILYEIME-INIZCTEOSA-N 2 0 335.879 2.552 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001378379158 1345025851 /nfs/dbraw/zinc/02/58/51/1345025851.db2.gz JBHYFYVHRVBEPW-MRXNPFEDSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001378551575 1345157530 /nfs/dbraw/zinc/15/75/30/1345157530.db2.gz DCILMDGPWYMZGA-NSHDSACASA-N 2 0 329.897 2.518 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001379155347 1345631314 /nfs/dbraw/zinc/63/13/14/1345631314.db2.gz VJTQODZLLDEVNM-DLBZAZTESA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001379167885 1345638390 /nfs/dbraw/zinc/63/83/90/1345638390.db2.gz KFPWMFQOEVYMAW-CABCVRRESA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001379552913 1345851830 /nfs/dbraw/zinc/85/18/30/1345851830.db2.gz MJGKQJPKHIQPQS-HZPDHXFCSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001379799425 1347347988 /nfs/dbraw/zinc/34/79/88/1347347988.db2.gz AJWJPLBSSMTTLV-IAGOWNOFSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001380685567 1347812739 /nfs/dbraw/zinc/81/27/39/1347812739.db2.gz UGUWKSLUWLZZPF-CRAIPNDOSA-N 2 0 349.906 2.941 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001390579515 1354184415 /nfs/dbraw/zinc/18/44/15/1354184415.db2.gz SMCTXEKMEYRDNU-MRXNPFEDSA-N 2 0 341.927 2.689 20 30 EFEDRP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001391359467 1355123443 /nfs/dbraw/zinc/12/34/43/1355123443.db2.gz JFCATFFRULLYJT-UHFFFAOYSA-N 2 0 341.927 2.641 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CCC)CCCC[C@H]1C ZINC001391808385 1355551169 /nfs/dbraw/zinc/55/11/69/1355551169.db2.gz LFITXYCIFCKUTI-RHSMWYFYSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccn3c(C)cnc3c2)CCC1 ZINC001393541267 1356932062 /nfs/dbraw/zinc/93/20/62/1356932062.db2.gz MMGIAADDOYMDPI-UHFFFAOYSA-N 2 0 332.835 2.637 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001394704995 1358030900 /nfs/dbraw/zinc/03/09/00/1358030900.db2.gz YQOSJOCRWYRTOO-IAGOWNOFSA-N 2 0 341.927 2.880 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001397142682 1359702373 /nfs/dbraw/zinc/70/23/73/1359702373.db2.gz YHBWWVAUFJLKRX-BRWVUGGUSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001397164433 1359716938 /nfs/dbraw/zinc/71/69/38/1359716938.db2.gz AAAXFXRVRIVBID-INIZCTEOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001401077785 1362420278 /nfs/dbraw/zinc/42/02/78/1362420278.db2.gz APVHTNQHMSYPSK-MRXNPFEDSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001402031708 1363343321 /nfs/dbraw/zinc/34/33/21/1363343321.db2.gz MEJVSPGOOISTQK-HOCLYGCPSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001403589347 1364791709 /nfs/dbraw/zinc/79/17/09/1364791709.db2.gz VRRVYMPSZNXAOJ-OAHLLOKOSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001405712539 1366356414 /nfs/dbraw/zinc/35/64/14/1366356414.db2.gz COBHBGAVHGDDCK-ZBFHGGJFSA-N 2 0 329.916 2.591 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001405846482 1366458770 /nfs/dbraw/zinc/45/87/70/1366458770.db2.gz JNRPUJFVAACBFT-HNNXBMFYSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174327 1368541823 /nfs/dbraw/zinc/54/18/23/1368541823.db2.gz QWPAHXHMWJNMDN-CVEARBPZSA-N 2 0 329.916 2.590 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001417813018 1373284946 /nfs/dbraw/zinc/28/49/46/1373284946.db2.gz NJMSUIXJPSEIHU-INIZCTEOSA-N 2 0 341.927 2.784 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001419422411 1375254546 /nfs/dbraw/zinc/25/45/46/1375254546.db2.gz HRZGLCFJPAWQSV-ULQDDVLXSA-N 2 0 335.879 2.669 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001419482445 1375327521 /nfs/dbraw/zinc/32/75/21/1375327521.db2.gz CUBUOCOVFIJRQV-AWEZNQCLSA-N 2 0 329.916 2.593 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001421167980 1378216520 /nfs/dbraw/zinc/21/65/20/1378216520.db2.gz IQOZRIOCVNHWOF-INIZCTEOSA-N 2 0 339.911 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001422112053 1379627904 /nfs/dbraw/zinc/62/79/04/1379627904.db2.gz ULEMYOZMEDJFOJ-CQSZACIVSA-N 2 0 343.924 2.906 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CN(C)Cc2ccccc2)CCCC1 ZINC001438614032 1388700256 /nfs/dbraw/zinc/70/02/56/1388700256.db2.gz VZFBRTMCYQDKNS-UHFFFAOYSA-N 2 0 349.906 2.890 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001422996267 1381179254 /nfs/dbraw/zinc/17/92/54/1381179254.db2.gz HHHGAFLOSDMULY-HNNXBMFYSA-N 2 0 329.916 2.543 20 30 EFEDRP CC[NH+]1CCC(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001423050153 1381270846 /nfs/dbraw/zinc/27/08/46/1381270846.db2.gz OBWGLIIICMMFSU-UHFFFAOYSA-N 2 0 340.515 2.798 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001438677360 1388733360 /nfs/dbraw/zinc/73/33/60/1388733360.db2.gz CFVOHCVTYVKMEE-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cc1[nH]cnc1C)C1CCCCC1 ZINC001438756982 1388789532 /nfs/dbraw/zinc/78/95/32/1388789532.db2.gz WHDXMHDCLSJAIF-INIZCTEOSA-N 2 0 338.883 2.668 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001424194451 1382848803 /nfs/dbraw/zinc/84/88/03/1382848803.db2.gz AKAHYCDRMLUIRT-OAHLLOKOSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001425604521 1383710002 /nfs/dbraw/zinc/71/00/02/1383710002.db2.gz IIOGNZPBQRRLMN-HNNXBMFYSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001440886425 1389978551 /nfs/dbraw/zinc/97/85/51/1389978551.db2.gz FTVGMZGPZWEIEX-UHFFFAOYSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001507124483 1406735301 /nfs/dbraw/zinc/73/53/01/1406735301.db2.gz COXQVCNPCGPQAJ-HNNXBMFYSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001479988655 1398072980 /nfs/dbraw/zinc/07/29/80/1398072980.db2.gz SIKYSIUTTXWKPP-MRXNPFEDSA-N 2 0 339.911 2.586 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480083699 1398119052 /nfs/dbraw/zinc/11/90/52/1398119052.db2.gz GYYSFTDUDJESPK-INIZCTEOSA-N 2 0 343.943 2.887 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001494718406 1399441997 /nfs/dbraw/zinc/44/19/97/1399441997.db2.gz JNUBVOWNAJOEMJ-HKUYNNGSSA-N 2 0 343.515 2.950 20 30 EFEDRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001497213694 1401222299 /nfs/dbraw/zinc/22/22/99/1401222299.db2.gz DOAUSKTWJGJBMX-MAUKXSAKSA-N 2 0 349.906 2.516 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001500347151 1403067060 /nfs/dbraw/zinc/06/70/60/1403067060.db2.gz AQFRSCDXVFKMBZ-SFHVURJKSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001501092420 1403437214 /nfs/dbraw/zinc/43/72/14/1403437214.db2.gz UAMRZGFYZDBSPZ-FUHWJXTLSA-N 2 0 349.906 2.698 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001501950467 1403899302 /nfs/dbraw/zinc/89/93/02/1403899302.db2.gz JSIMNWXFIOGDBD-UHFFFAOYSA-N 2 0 327.900 2.632 20 30 EFEDRP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505416535 1404576430 /nfs/dbraw/zinc/57/64/30/1404576430.db2.gz NCRIYYUFTGSESH-GUDVDZBRSA-N 2 0 329.488 2.521 20 30 EFEDRP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505819941 1405107261 /nfs/dbraw/zinc/10/72/61/1405107261.db2.gz DKCBEFAVAROYBT-INIZCTEOSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679598 713214355 /nfs/dbraw/zinc/21/43/55/713214355.db2.gz HAJHYDBRRAJEIF-IRXDYDNUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173505 713703570 /nfs/dbraw/zinc/70/35/70/713703570.db2.gz XZQAGAVNIPWCAW-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000980224520 717924476 /nfs/dbraw/zinc/92/44/76/717924476.db2.gz ZYQCWJFLUPLOEB-SLFFLAALSA-N 2 0 345.531 2.511 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021604039 714164832 /nfs/dbraw/zinc/16/48/32/714164832.db2.gz AFJSPBKQYANXCF-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620431 714188647 /nfs/dbraw/zinc/18/86/47/714188647.db2.gz UGXITPMUOMGGJH-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569501 717960950 /nfs/dbraw/zinc/96/09/50/717960950.db2.gz CSJPIXPZMQENCA-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039281515 714249926 /nfs/dbraw/zinc/24/99/26/714249926.db2.gz ROGJNCKBIDQCLJ-HMQMGEFJSA-N 2 0 341.927 2.827 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666119 714264957 /nfs/dbraw/zinc/26/49/57/714264957.db2.gz PHTDXKLMDSIFSX-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001021669942 714271738 /nfs/dbraw/zinc/27/17/38/714271738.db2.gz IPXYXTSLJJMWIO-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021671917 714275539 /nfs/dbraw/zinc/27/55/39/714275539.db2.gz XHFJZHZQESQBAS-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021683281 714297515 /nfs/dbraw/zinc/29/75/15/714297515.db2.gz XLRCPPUAUUNRSM-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711379 714349370 /nfs/dbraw/zinc/34/93/70/714349370.db2.gz VYCBWRCWPSGDHE-UXHICEINSA-N 2 0 345.531 2.607 20 30 EFEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160723317 714450446 /nfs/dbraw/zinc/45/04/46/714450446.db2.gz UHPSTQZWCXDQKN-NSHDSACASA-N 2 0 330.354 2.654 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542125 714701129 /nfs/dbraw/zinc/70/11/29/714701129.db2.gz ZIZVAJMEYFGGJP-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618107 718030686 /nfs/dbraw/zinc/03/06/86/718030686.db2.gz QGTOWGOABFZZJS-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618113 718031025 /nfs/dbraw/zinc/03/10/25/718031025.db2.gz QGTOWGOABFZZJS-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000104162890 715254466 /nfs/dbraw/zinc/25/44/66/715254466.db2.gz KCMMGQPWDLXWBR-KRWDZBQOSA-N 2 0 346.519 2.749 20 30 EFEDRP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974947185 715369804 /nfs/dbraw/zinc/36/98/04/715369804.db2.gz NRAZBWQICYSRHZ-OALUTQOASA-N 2 0 345.531 2.633 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000974947242 715370150 /nfs/dbraw/zinc/37/01/50/715370150.db2.gz NXWUDZYNEBJIQT-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158013 715451062 /nfs/dbraw/zinc/45/10/62/715451062.db2.gz JJCKBOKHAYFXFT-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975029457 715453867 /nfs/dbraw/zinc/45/38/67/715453867.db2.gz BIPPUMBLSMGKGX-BEFAXECRSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000985458603 724409609 /nfs/dbraw/zinc/40/96/09/724409609.db2.gz FAPKORPIGQHPEF-INIZCTEOSA-N 2 0 327.900 2.536 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C(F)(F)F)cc1 ZINC000303712244 724417480 /nfs/dbraw/zinc/41/74/80/724417480.db2.gz PVEBGLDNSUJEFG-OAHLLOKOSA-N 2 0 342.409 2.637 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977333281 716109432 /nfs/dbraw/zinc/10/94/32/716109432.db2.gz JRKDMKWSCFYPJL-GOSISDBHSA-N 2 0 329.488 2.765 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000103338103 716157656 /nfs/dbraw/zinc/15/76/56/716157656.db2.gz WLVOQBZLRLREMU-HNNXBMFYSA-N 2 0 346.500 2.918 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542041 716374133 /nfs/dbraw/zinc/37/41/33/716374133.db2.gz HEIKEYNAKCUHGO-MOPGFXCFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369903 716389218 /nfs/dbraw/zinc/38/92/18/716389218.db2.gz ICTJOIXYDNZUIE-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000977662639 716458565 /nfs/dbraw/zinc/45/85/65/716458565.db2.gz PVMXIIHMGKTQAH-KRWDZBQOSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023456874 716492557 /nfs/dbraw/zinc/49/25/57/716492557.db2.gz BCBSERXKYFOTOP-MOPGFXCFSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469793 716507313 /nfs/dbraw/zinc/50/73/13/716507313.db2.gz NWPYLNZCFLBSHS-INIZCTEOSA-N 2 0 326.444 2.742 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027694575 716549875 /nfs/dbraw/zinc/54/98/75/716549875.db2.gz CUQTWIJYVLWIDT-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699990 716567671 /nfs/dbraw/zinc/56/76/71/716567671.db2.gz OOXIVACFJWQQKU-MRXNPFEDSA-N 2 0 333.476 2.844 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001023550369 716610981 /nfs/dbraw/zinc/61/09/81/716610981.db2.gz ZSTWFMJZESNJML-RBUKOAKNSA-N 2 0 335.536 2.903 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023553259 716618145 /nfs/dbraw/zinc/61/81/45/716618145.db2.gz YKRYGWCDRFQAGX-QUCCMNQESA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557549 716618968 /nfs/dbraw/zinc/61/89/68/716618968.db2.gz ZNXJRTPZHKXGSV-ZWKOTPCHSA-N 2 0 344.503 2.548 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678179 716805936 /nfs/dbraw/zinc/80/59/36/716805936.db2.gz QSAZGAHKOVIJCU-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761512 716974633 /nfs/dbraw/zinc/97/46/33/716974633.db2.gz BNWPNGXIEUBZIQ-SFHVURJKSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930353 717244780 /nfs/dbraw/zinc/24/47/80/717244780.db2.gz OAMRNNZNSVQWLI-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001027944135 717378942 /nfs/dbraw/zinc/37/89/42/717378942.db2.gz VDLZJYBRNHDXGX-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980522925 717390735 /nfs/dbraw/zinc/39/07/35/717390735.db2.gz CXGPVJRUZHMXKX-INIZCTEOSA-N 2 0 333.476 2.844 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479262 717792700 /nfs/dbraw/zinc/79/27/00/717792700.db2.gz CYWRXNVATNRMHB-OALUTQOASA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479307 717793410 /nfs/dbraw/zinc/79/34/10/717793410.db2.gz FDRCTOHQQHJMSE-MOPGFXCFSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC001024486833 717810338 /nfs/dbraw/zinc/81/03/38/717810338.db2.gz JHANQFMBZXMEJF-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001024487142 717810844 /nfs/dbraw/zinc/81/08/44/717810844.db2.gz NFDLZGUMUHNDRQ-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885585 717832416 /nfs/dbraw/zinc/83/24/16/717832416.db2.gz HKOVTUUONBSTAT-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168372 717836173 /nfs/dbraw/zinc/83/61/73/717836173.db2.gz NKLLNIVNXKSGAB-RCCFBDPRSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000947722908 717884390 /nfs/dbraw/zinc/88/43/90/717884390.db2.gz NBPHYXCLWYVNGW-VQIMIIECSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024645438 718057634 /nfs/dbraw/zinc/05/76/34/718057634.db2.gz ADLMOQVBPYZYCT-JKSUJKDBSA-N 2 0 330.476 2.767 20 30 EFEDRP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024752173 718138121 /nfs/dbraw/zinc/13/81/21/718138121.db2.gz QGHPZPYYEYVFKF-RTBURBONSA-N 2 0 333.520 2.635 20 30 EFEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169114 718163099 /nfs/dbraw/zinc/16/30/99/718163099.db2.gz OTFZOJVDLZMNFT-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810899 718175039 /nfs/dbraw/zinc/17/50/39/718175039.db2.gz LCRFWGPARPIANH-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025258219 718474183 /nfs/dbraw/zinc/47/41/83/718474183.db2.gz DPQGGTPWXQRHRJ-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001025253549 718479377 /nfs/dbraw/zinc/47/93/77/718479377.db2.gz WABYMQVSFIUSMD-ROUUACIJSA-N 2 0 344.503 2.774 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266077 718486996 /nfs/dbraw/zinc/48/69/96/718486996.db2.gz IYRWOIUDXIOLPK-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260708 718488593 /nfs/dbraw/zinc/48/85/93/718488593.db2.gz YWJBBGAZVWISGM-MOPGFXCFSA-N 2 0 345.531 2.730 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025275237 718513486 /nfs/dbraw/zinc/51/34/86/718513486.db2.gz VAQMERSIKLTECL-RTBURBONSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289361 718527979 /nfs/dbraw/zinc/52/79/79/718527979.db2.gz ZHBZGZKEJZCNDK-UXHICEINSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301852 718540321 /nfs/dbraw/zinc/54/03/21/718540321.db2.gz QGIUDYVGJCLVDE-PMACEKPBSA-N 2 0 345.531 2.731 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000981238008 718547325 /nfs/dbraw/zinc/54/73/25/718547325.db2.gz DVMZOMBOCRBHMO-RBUKOAKNSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000981270749 718582825 /nfs/dbraw/zinc/58/28/25/718582825.db2.gz MKCSXPAJHVYBQY-UHFFFAOYSA-N 2 0 335.517 2.924 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000981333695 718642272 /nfs/dbraw/zinc/64/22/72/718642272.db2.gz DOPVOTTYTMIGQZ-PMACEKPBSA-N 2 0 343.515 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981766851 719014923 /nfs/dbraw/zinc/01/49/23/719014923.db2.gz ARQLHWUZGCQPEF-MOPGFXCFSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CCC[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029921200 724554547 /nfs/dbraw/zinc/55/45/47/724554547.db2.gz SIEALBJNMRUTBD-PMACEKPBSA-N 2 0 341.499 2.617 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516285 719052933 /nfs/dbraw/zinc/05/29/33/719052933.db2.gz RCHYWTKQHSOEQE-JKSUJKDBSA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000981801643 719055768 /nfs/dbraw/zinc/05/57/68/719055768.db2.gz VSGRLYLDIQHXRH-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137958 719115328 /nfs/dbraw/zinc/11/53/28/719115328.db2.gz QGINWTSWSQVJCP-IBGZPJMESA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138604 719118170 /nfs/dbraw/zinc/11/81/70/719118170.db2.gz ZLTYEFBLLFIIIA-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025558335 719125063 /nfs/dbraw/zinc/12/50/63/719125063.db2.gz MIWOMPGDENZIJO-XLIONFOSSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025583674 719164877 /nfs/dbraw/zinc/16/48/77/719164877.db2.gz AXXYSWZQKQDBBC-MJGOQNOKSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590768 719176497 /nfs/dbraw/zinc/17/64/97/719176497.db2.gz RJIZKPOQINORRR-PXNSSMCTSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052559 719507386 /nfs/dbraw/zinc/50/73/86/719507386.db2.gz PSPZXFQEQKHYTO-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162294 719606959 /nfs/dbraw/zinc/60/69/59/719606959.db2.gz MMUQQZODQDVNEU-UHFFFAOYSA-N 2 0 333.520 2.753 20 30 EFEDRP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982220999 719679473 /nfs/dbraw/zinc/67/94/73/719679473.db2.gz GTLWHLGMAPJMRA-UHFFFAOYSA-N 2 0 329.488 2.862 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@]2(C)C1 ZINC000982292489 719822753 /nfs/dbraw/zinc/82/27/53/719822753.db2.gz LTEOXFNFOJDHOG-YSIASYRMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297891 719845457 /nfs/dbraw/zinc/84/54/57/719845457.db2.gz RSOMTCAHOXUJLU-BGYRXZFFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982400258 720011626 /nfs/dbraw/zinc/01/16/26/720011626.db2.gz GYUBVOFAFITWNR-SESVDKBCSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]12 ZINC001026298828 720179873 /nfs/dbraw/zinc/17/98/73/720179873.db2.gz QKHIUMJUWUNYEB-KBAYOESNSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]12 ZINC001026298818 720179882 /nfs/dbraw/zinc/17/98/82/720179882.db2.gz QKHIUMJUWUNYEB-BPQIPLTHSA-N 2 0 333.520 2.652 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]12 ZINC001026303980 720190018 /nfs/dbraw/zinc/19/00/18/720190018.db2.gz IJBJOZYTISIPSY-DJIMGWMZSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001026303982 720190039 /nfs/dbraw/zinc/19/00/39/720190039.db2.gz IJBJOZYTISIPSY-USXIJHARSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc4nccn43)C[C@@H]21 ZINC001026312288 720211321 /nfs/dbraw/zinc/21/13/21/720211321.db2.gz UIZFOFNYISIIJI-SOUVJXGZSA-N 2 0 344.846 2.527 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001026427871 720559958 /nfs/dbraw/zinc/55/99/58/720559958.db2.gz VHZZDRSICGNLGQ-XUVXKRRUSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@@H]21 ZINC001026427869 720560107 /nfs/dbraw/zinc/56/01/07/720560107.db2.gz VHZZDRSICGNLGQ-SLFFLAALSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001026518642 720701470 /nfs/dbraw/zinc/70/14/70/720701470.db2.gz BNBSDZONKYFVJK-UHFFFAOYSA-N 2 0 326.444 2.849 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001026547364 720731013 /nfs/dbraw/zinc/73/10/13/720731013.db2.gz DCKFVESCPQPRTQ-FAFZWHIHSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985606030 724705634 /nfs/dbraw/zinc/70/56/34/724705634.db2.gz CTOXYXMADDXULR-UHFFFAOYSA-N 2 0 339.867 2.630 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)n3ccnc3)C[C@@]2(C)C1 ZINC000982598771 720932048 /nfs/dbraw/zinc/93/20/48/720932048.db2.gz KWKTYQKUSDMHPZ-QRQLOZEOSA-N 2 0 330.476 2.581 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623391 720958889 /nfs/dbraw/zinc/95/88/89/720958889.db2.gz GUGVEZSFSSIFNO-YSIASYRMSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541839 720983736 /nfs/dbraw/zinc/98/37/36/720983736.db2.gz FWJXYCMYQADALA-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541879 720983831 /nfs/dbraw/zinc/98/38/31/720983831.db2.gz GSGBEOIFUAJIFA-ROUUACIJSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982641517 721034112 /nfs/dbraw/zinc/03/41/12/721034112.db2.gz NVJAFEWPBJCKKZ-UKAVVXHISA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@@]2(C)C1 ZINC000982639789 721040438 /nfs/dbraw/zinc/04/04/38/721040438.db2.gz ADRFHVYFSUDCHP-IZZBFERCSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@]2(C)C1 ZINC000982652483 721055426 /nfs/dbraw/zinc/05/54/26/721055426.db2.gz VHOQCNAMVFTUHS-OYRHEFFESA-N 2 0 341.499 2.718 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@@]2(C)C1 ZINC000982725915 721131887 /nfs/dbraw/zinc/13/18/87/721131887.db2.gz QNWBRUDOOHOOTN-UKAVVXHISA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974650311 721239992 /nfs/dbraw/zinc/23/99/92/721239992.db2.gz IPXOMKIQRZMMIR-MSOLQXFVSA-N 2 0 335.536 2.757 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677662 721270618 /nfs/dbraw/zinc/27/06/18/721270618.db2.gz FTWUFXFRTGOPQD-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982830845 721301858 /nfs/dbraw/zinc/30/18/58/721301858.db2.gz BCBFCAHOEVPXJB-LFGUQSLTSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982833529 721308174 /nfs/dbraw/zinc/30/81/74/721308174.db2.gz MUCSTOSJTCJGND-NRSPTQNISA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985645671 724750230 /nfs/dbraw/zinc/75/02/30/724750230.db2.gz BLGPDESOTFTUNN-IBGZPJMESA-N 2 0 339.499 2.698 20 30 EFEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000985647269 724752530 /nfs/dbraw/zinc/75/25/30/724752530.db2.gz NTTOROXOOFGIGB-UHFFFAOYSA-N 2 0 329.488 2.513 20 30 EFEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974748804 721385075 /nfs/dbraw/zinc/38/50/75/721385075.db2.gz VTGRAAODLJWIRW-QGZVFWFLSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001028718172 721890130 /nfs/dbraw/zinc/89/01/30/721890130.db2.gz CNTZNEKAZZWURL-QGZVFWFLSA-N 2 0 338.455 2.890 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755186 721936104 /nfs/dbraw/zinc/93/61/04/721936104.db2.gz IJVPVEJHFQCEST-HKUYNNGSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756016 721937821 /nfs/dbraw/zinc/93/78/21/721937821.db2.gz ZFBSIRYPTVJJIT-IEBWSBKVSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000340 722616705 /nfs/dbraw/zinc/61/67/05/722616705.db2.gz BOMBQFLSXZKSRD-QGZVFWFLSA-N 2 0 329.488 2.766 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000894423702 722732730 /nfs/dbraw/zinc/73/27/30/722732730.db2.gz UAFLSFXZZNMVND-UHFFFAOYSA-N 2 0 331.435 2.882 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC000939148067 728772401 /nfs/dbraw/zinc/77/24/01/728772401.db2.gz RHEWQCANTLSVSO-KDOFPFPSSA-N 2 0 349.906 2.593 20 30 EFEDRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000444800139 728873320 /nfs/dbraw/zinc/87/33/20/728873320.db2.gz UDWYFRMPPYNTSV-INIZCTEOSA-N 2 0 348.410 2.721 20 30 EFEDRP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985432534 724342065 /nfs/dbraw/zinc/34/20/65/724342065.db2.gz GPVDOBVRLZZCDN-INIZCTEOSA-N 2 0 327.900 2.535 20 30 EFEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000985746253 724851224 /nfs/dbraw/zinc/85/12/24/724851224.db2.gz JLWYRPPPDJXBCR-OAQYLSRUSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009018 725459889 /nfs/dbraw/zinc/45/98/89/725459889.db2.gz FIOLDUJAUATEAY-NLWGTHIKSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169969 725584944 /nfs/dbraw/zinc/58/49/44/725584944.db2.gz HJKBYHCFPLFINA-XLIONFOSSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992171904 725587075 /nfs/dbraw/zinc/58/70/75/725587075.db2.gz ZCYXUBPROCQXJC-PZJWPPBQSA-N 2 0 341.499 2.704 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3c3cncn3C)CCC[C@@H]12 ZINC000992239042 725638587 /nfs/dbraw/zinc/63/85/87/725638587.db2.gz HSNZUZLBLRRQLQ-QQTQMKHKSA-N 2 0 342.487 2.603 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992404783 725781044 /nfs/dbraw/zinc/78/10/44/725781044.db2.gz MMVCXWKBNJYLGX-TZIWHRDSSA-N 2 0 345.531 2.798 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC000992845003 726295407 /nfs/dbraw/zinc/29/54/07/726295407.db2.gz AXBCFTPONYYQSD-SLFFLAALSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC000992845015 726295463 /nfs/dbraw/zinc/29/54/63/726295463.db2.gz AXBCFTPONYYQSD-XUVXKRRUSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC000992929050 726344693 /nfs/dbraw/zinc/34/46/93/726344693.db2.gz DPQVKIGZOHMYHB-DFQSSKMNSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(OCC[NH+](CC)CC)c1 ZINC000907090912 726866714 /nfs/dbraw/zinc/86/67/14/726866714.db2.gz CISGVHPXQCHFDV-UHFFFAOYSA-N 2 0 333.476 2.854 20 30 EFEDRP CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262442792 726933245 /nfs/dbraw/zinc/93/32/45/726933245.db2.gz QBGSGSXHAXKDAZ-VQIMIIECSA-N 2 0 338.540 2.618 20 30 EFEDRP CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262442789 726933263 /nfs/dbraw/zinc/93/32/63/726933263.db2.gz QBGSGSXHAXKDAZ-APWZRJJASA-N 2 0 338.540 2.618 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480559 727288612 /nfs/dbraw/zinc/28/86/12/727288612.db2.gz PNMYJCWKHZEQTB-ROUUACIJSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993617014 727327224 /nfs/dbraw/zinc/32/72/24/727327224.db2.gz RUGRRFHOLFXAAI-CRAIPNDOSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630190 727348289 /nfs/dbraw/zinc/34/82/89/727348289.db2.gz KNSXLVKKULWFSV-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000917069313 727763850 /nfs/dbraw/zinc/76/38/50/727763850.db2.gz NLTSOLHSHLPTNE-UHFFFAOYSA-N 2 0 329.488 2.795 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772104 728381584 /nfs/dbraw/zinc/38/15/84/728381584.db2.gz SMXPVYARRODGGO-MRXNPFEDSA-N 2 0 341.927 2.784 20 30 EFEDRP C[C@@H]1CCCN(C(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170910639 728494634 /nfs/dbraw/zinc/49/46/34/728494634.db2.gz HSAQXKHKJPXXDD-QGZVFWFLSA-N 2 0 328.504 2.945 20 30 EFEDRP [NH2+]=C(NCCc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911739 728494660 /nfs/dbraw/zinc/49/46/60/728494660.db2.gz QWLIQXMCQLKKNW-UHFFFAOYSA-N 2 0 336.483 2.929 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948887300 728630427 /nfs/dbraw/zinc/63/04/27/728630427.db2.gz WYKBWNKRAUHFCV-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000939806960 729130067 /nfs/dbraw/zinc/13/00/67/729130067.db2.gz PWHFUZUAOVQTBH-SUMWQHHRSA-N 2 0 335.879 2.551 20 30 EFEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000064614130 729501306 /nfs/dbraw/zinc/50/13/06/729501306.db2.gz ZJBVENWTXUHRHH-KRWDZBQOSA-N 2 0 331.460 2.809 20 30 EFEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC3(C[NH2+][C@H]3C(C)C)CC2)cc1 ZINC001574757106 1088072451 /nfs/dbraw/zinc/07/24/51/1088072451.db2.gz KGMCYVYNZUSKAF-FQEVSTJZSA-N 2 0 339.483 2.707 20 30 EFEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC3(C[NH2+][C@@H]3C(C)C)CC2)cc1 ZINC001574757108 1088073797 /nfs/dbraw/zinc/07/37/97/1088073797.db2.gz KGMCYVYNZUSKAF-HXUWFJFHSA-N 2 0 339.483 2.707 20 30 EFEDRP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CC[N@@H+](CC)CCC)CC1 ZINC001574866102 1088130685 /nfs/dbraw/zinc/13/06/85/1088130685.db2.gz DJVDSTTZWAZRDC-KRWDZBQOSA-N 2 0 346.523 2.591 20 30 EFEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC001574892944 1088141490 /nfs/dbraw/zinc/14/14/90/1088141490.db2.gz MCNFIJUVCLOQBO-CTNGQTDRSA-N 2 0 341.499 2.856 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574902022 1088144520 /nfs/dbraw/zinc/14/45/20/1088144520.db2.gz ZDEPVUHIQVSMBJ-MOPGFXCFSA-N 2 0 329.488 2.793 20 30 EFEDRP COC(=O)c1cccc(C[NH+]2CCC3(CCC[C@H]3C[NH3+])CC2)c1C#N ZINC001578874708 1090461327 /nfs/dbraw/zinc/46/13/27/1090461327.db2.gz IBSKLUJTQRKPBX-INIZCTEOSA-N 2 0 341.455 2.686 20 30 EFEDRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC001579691841 1090663222 /nfs/dbraw/zinc/66/32/22/1090663222.db2.gz JHYKKRUOZQMBJT-QGZVFWFLSA-N 2 0 328.460 2.941 20 30 EFEDRP N#CC1(CCC[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)CCOCC1 ZINC001580038870 1090750913 /nfs/dbraw/zinc/75/09/13/1090750913.db2.gz VKZRMPJOFWCMNH-SFHVURJKSA-N 2 0 331.504 2.941 20 30 EFEDRP N#Cc1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC001580070171 1090762762 /nfs/dbraw/zinc/76/27/62/1090762762.db2.gz RYNFCHTUTCFKGV-OAHLLOKOSA-N 2 0 332.879 2.723 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001075448071 1092755417 /nfs/dbraw/zinc/75/54/17/1092755417.db2.gz NCWKKLDOJILZKH-AZUAARDMSA-N 2 0 347.547 2.997 20 30 EFEDRP N#Cc1cccc(NC(=O)CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001650158344 1092987610 /nfs/dbraw/zinc/98/76/10/1092987610.db2.gz RGODBGSCPVZHQP-UHFFFAOYSA-N 2 0 349.438 2.540 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001075453774 1093037819 /nfs/dbraw/zinc/03/78/19/1093037819.db2.gz AUAHHBWXJGSXIW-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)CC1 ZINC001075454146 1093042687 /nfs/dbraw/zinc/04/26/87/1093042687.db2.gz MBULYVSYJFHCDO-PXNSSMCTSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001112515245 1093196235 /nfs/dbraw/zinc/19/62/35/1093196235.db2.gz ZTVDMSXFZMXVOY-ZJOUEHCJSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001075461922 1093335378 /nfs/dbraw/zinc/33/53/78/1093335378.db2.gz WTZCBOWNLCCILY-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001112516596 1093552096 /nfs/dbraw/zinc/55/20/96/1093552096.db2.gz RPIWOJZOBZAWRN-IWFBPKFRSA-N 2 0 347.547 2.901 20 30 EFEDRP CC#CC[NH2+]CC1(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001167710337 1094380264 /nfs/dbraw/zinc/38/02/64/1094380264.db2.gz IRYUBCAVZVJGPX-UHFFFAOYSA-N 2 0 335.536 2.788 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211623329 1094391517 /nfs/dbraw/zinc/39/15/17/1094391517.db2.gz BAYXRBDTAUHCGP-XUVXKRRUSA-N 2 0 343.515 2.877 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529926 1094765384 /nfs/dbraw/zinc/76/53/84/1094765384.db2.gz VUJZONRLGMRXIN-BJLQDIEVSA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001481506821 1094991379 /nfs/dbraw/zinc/99/13/79/1094991379.db2.gz LEHWWDMHDNXDGK-QGZVFWFLSA-N 2 0 341.927 2.785 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203421012 1095119021 /nfs/dbraw/zinc/11/90/21/1095119021.db2.gz YSTNHPOYDSPNCW-CABCVRRESA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001087304258 1095171093 /nfs/dbraw/zinc/17/10/93/1095171093.db2.gz ZQWDIMXZGRAADC-NZSAHSFTSA-N 2 0 347.547 2.900 20 30 EFEDRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001167838182 1095341972 /nfs/dbraw/zinc/34/19/72/1095341972.db2.gz RIALNXWYXQUYRZ-SFHVURJKSA-N 2 0 343.519 2.976 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754340 1095696232 /nfs/dbraw/zinc/69/62/32/1095696232.db2.gz CYBLLLYRMQUGEH-IEBWSBKVSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC000981957970 1095794290 /nfs/dbraw/zinc/79/42/90/1095794290.db2.gz ANMFZAWIVGVDKL-SFHVURJKSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1C ZINC001104777776 1095837584 /nfs/dbraw/zinc/83/75/84/1095837584.db2.gz TWDQOOQOMXMDFT-BRWVUGGUSA-N 2 0 332.492 2.629 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703130 1095939662 /nfs/dbraw/zinc/93/96/62/1095939662.db2.gz WLNGMOSYWWAFRM-VQTJNVASSA-N 2 0 343.515 2.879 20 30 EFEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001167700460 1096023968 /nfs/dbraw/zinc/02/39/68/1096023968.db2.gz PWQYNYDYJPWXOY-HXUWFJFHSA-N 2 0 343.515 2.916 20 30 EFEDRP N#Cc1c(Cl)cc(Br)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878961 1096132851 /nfs/dbraw/zinc/13/28/51/1096132851.db2.gz PTXBFLDCHXTLHE-UHFFFAOYSA-N 2 0 344.644 2.649 20 30 EFEDRP C=CCn1cc(CN(CC[NH+](CC)CC)CC[NH+](CC)CC)cn1 ZINC001139772995 1096201813 /nfs/dbraw/zinc/20/18/13/1096201813.db2.gz WWCVOBCZNVBFDS-UHFFFAOYSA-N 2 0 335.540 2.555 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001167754908 1098834213 /nfs/dbraw/zinc/83/42/13/1098834213.db2.gz WUZFRFGZHQEFMM-UHFFFAOYSA-N 2 0 330.476 2.604 20 30 EFEDRP C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494464 1098876012 /nfs/dbraw/zinc/87/60/12/1098876012.db2.gz QLVSQLPCZRWBIR-ZACQAIPSSA-N 2 0 339.911 2.727 20 30 EFEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001104897013 1098936401 /nfs/dbraw/zinc/93/64/01/1098936401.db2.gz ZWUSKNFZGXBYDJ-RLLQIKCJSA-N 2 0 343.515 2.940 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001112524218 1099231625 /nfs/dbraw/zinc/23/16/25/1099231625.db2.gz BPNICVVAHHFIGM-NSHGMRRFSA-N 2 0 335.536 2.757 20 30 EFEDRP N#Cc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974279 1099351958 /nfs/dbraw/zinc/35/19/58/1099351958.db2.gz UDJDINSPNVYGHK-YQQQUEKLSA-N 2 0 325.456 2.932 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742226 1099461599 /nfs/dbraw/zinc/46/15/99/1099461599.db2.gz HXZOSCSYDMLFAE-MSOLQXFVSA-N 2 0 335.536 2.949 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067190 1099542003 /nfs/dbraw/zinc/54/20/03/1099542003.db2.gz QZPSAVWVLYPYEM-GUDVDZBRSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001105067191 1099542566 /nfs/dbraw/zinc/54/25/66/1099542566.db2.gz QZPSAVWVLYPYEM-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673576 1099632717 /nfs/dbraw/zinc/63/27/17/1099632717.db2.gz QRDFXIOCHVRNMW-YSIASYRMSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087422900 1099708396 /nfs/dbraw/zinc/70/83/96/1099708396.db2.gz AOROWLRZBIDCPH-AQNXPRMDSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001105396068 1100571538 /nfs/dbraw/zinc/57/15/38/1100571538.db2.gz IAYZLLIMQPLPLI-FQEVSTJZSA-N 2 0 347.547 2.997 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H]1CC ZINC001087607019 1100587881 /nfs/dbraw/zinc/58/78/81/1100587881.db2.gz GJGYWSOGCFQDMM-ZCNNSNEGSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087698404 1100677600 /nfs/dbraw/zinc/67/76/00/1100677600.db2.gz VYBRYELYPXTEBE-OTWHNJEPSA-N 2 0 333.520 2.939 20 30 EFEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1CC ZINC001087792225 1100775433 /nfs/dbraw/zinc/77/54/33/1100775433.db2.gz UBCJBFWSIXLXSK-OTWHNJEPSA-N 2 0 333.520 2.633 20 30 EFEDRP C#CCOCCOCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168031525 1100935084 /nfs/dbraw/zinc/93/50/84/1100935084.db2.gz ZPSYHDASXNKDRS-RTBURBONSA-N 2 0 344.499 2.684 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087963814 1101088663 /nfs/dbraw/zinc/08/86/63/1101088663.db2.gz IRRMUDIBJXAOLZ-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087999595 1101175219 /nfs/dbraw/zinc/17/52/19/1101175219.db2.gz SYQFULOKLCMRCT-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041791 1101234030 /nfs/dbraw/zinc/23/40/30/1101234030.db2.gz JXSRTWJRPXSDEU-AEFFLSMTSA-N 2 0 338.455 2.694 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064647 1101266882 /nfs/dbraw/zinc/26/68/82/1101266882.db2.gz NVYXOZHXQBJREJ-MSOLQXFVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681398 1101560840 /nfs/dbraw/zinc/56/08/40/1101560840.db2.gz GVOVWDYACRNVDM-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129959 1101623229 /nfs/dbraw/zinc/62/32/29/1101623229.db2.gz OKQCWVURICXNDP-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039128330 1102046778 /nfs/dbraw/zinc/04/67/78/1102046778.db2.gz WKYXVBXYJFAGJC-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232736 1102101026 /nfs/dbraw/zinc/10/10/26/1102101026.db2.gz OMLWHFAGUBAFNJ-GOSISDBHSA-N 2 0 335.536 2.951 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476823 1102230082 /nfs/dbraw/zinc/23/00/82/1102230082.db2.gz OVAVVPNPZMFUHL-INIZCTEOSA-N 2 0 343.943 2.981 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001112491427 1102756394 /nfs/dbraw/zinc/75/63/94/1102756394.db2.gz VYQTVENXJPUUNT-RXVVDRJESA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001088333593 1102968778 /nfs/dbraw/zinc/96/87/78/1102968778.db2.gz NCPFZVWFAVNJHM-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001271953509 1103229616 /nfs/dbraw/zinc/22/96/16/1103229616.db2.gz GZODLGIOARUEGH-OAQYLSRUSA-N 2 0 345.531 2.896 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001088381115 1103319789 /nfs/dbraw/zinc/31/97/89/1103319789.db2.gz XDOYMAVPXVNZQB-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001088399128 1103426043 /nfs/dbraw/zinc/42/60/43/1103426043.db2.gz BLYQUSGLQRWBDW-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001088411105 1103478647 /nfs/dbraw/zinc/47/86/47/1103478647.db2.gz YXSGSMZBINQXDV-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001088430001 1103575452 /nfs/dbraw/zinc/57/54/52/1103575452.db2.gz FWVAOKYJOUJNIP-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075881027 1103964399 /nfs/dbraw/zinc/96/43/99/1103964399.db2.gz ABPWGGFIUFSTGY-IPMKNSEASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001483596049 1104038396 /nfs/dbraw/zinc/03/83/96/1104038396.db2.gz UGPZEZVATIJSBY-QGZVFWFLSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001105445108 1104187370 /nfs/dbraw/zinc/18/73/70/1104187370.db2.gz RPIOBYIAQDGBHR-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001105446332 1104205571 /nfs/dbraw/zinc/20/55/71/1104205571.db2.gz HHGXNIACQTYYKJ-TYKWCNGQSA-N 2 0 343.515 2.711 20 30 EFEDRP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001101545530 1104223934 /nfs/dbraw/zinc/22/39/34/1104223934.db2.gz ACXTXOVTZCAQEH-QGZVFWFLSA-N 2 0 341.515 2.707 20 30 EFEDRP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001101573966 1104359776 /nfs/dbraw/zinc/35/97/76/1104359776.db2.gz LYEAZFFYDLTTSR-SFHVURJKSA-N 2 0 335.536 2.594 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)cnc3c2)C1 ZINC000988844051 1105325256 /nfs/dbraw/zinc/32/52/56/1105325256.db2.gz MECVICBPWHSUQI-DOMZBBRYSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989074042 1105475840 /nfs/dbraw/zinc/47/58/40/1105475840.db2.gz IUGPSYOPJCPUDE-TZMCWYRMSA-N 2 0 332.835 2.588 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688350 1105787125 /nfs/dbraw/zinc/78/71/25/1105787125.db2.gz GOGXHIXAXPQUBA-QAPCUYQASA-N 2 0 326.444 2.802 20 30 EFEDRP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001105542591 1105900785 /nfs/dbraw/zinc/90/07/85/1105900785.db2.gz YEVMBGBDZVGEAO-IBGZPJMESA-N 2 0 345.531 2.635 20 30 EFEDRP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)[NH+](CC)CC)CCC1 ZINC001105561799 1105939581 /nfs/dbraw/zinc/93/95/81/1105939581.db2.gz RICUSXKZMNCAGY-RTBURBONSA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)CCC1 ZINC001105575090 1105961701 /nfs/dbraw/zinc/96/17/01/1105961701.db2.gz QPQYZBCYKLUKBT-LJQANCHMSA-N 2 0 347.547 2.883 20 30 EFEDRP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CCC1 ZINC001105576709 1105964040 /nfs/dbraw/zinc/96/40/40/1105964040.db2.gz LQLKBORUAZIVRH-GOSISDBHSA-N 2 0 333.520 2.799 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000989450591 1106203315 /nfs/dbraw/zinc/20/33/15/1106203315.db2.gz OGEMILSFCMWMIY-CRAIPNDOSA-N 2 0 349.906 2.736 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)CCC=C)CC2)CC1 ZINC001168308436 1106528380 /nfs/dbraw/zinc/52/83/80/1106528380.db2.gz REYHKLHKSCXCQU-SFHVURJKSA-N 2 0 345.531 2.562 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000989825857 1106699801 /nfs/dbraw/zinc/69/98/01/1106699801.db2.gz KDZNMRMLNQOJOE-YOEHRIQHSA-N 2 0 335.879 2.693 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991015082 1106876880 /nfs/dbraw/zinc/87/68/80/1106876880.db2.gz BSQDDHIQLPAHTN-QWFCFKBJSA-N 2 0 333.520 2.654 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153324 1108263065 /nfs/dbraw/zinc/26/30/65/1108263065.db2.gz HZBSLPDFQATUTQ-GOSISDBHSA-N 2 0 347.547 2.881 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990613390 1108390177 /nfs/dbraw/zinc/39/01/77/1108390177.db2.gz JUBSSYZYXJIPCQ-CMKODMSKSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990613393 1108392006 /nfs/dbraw/zinc/39/20/06/1108392006.db2.gz JUBSSYZYXJIPCQ-WSTZPKSXSA-N 2 0 333.520 2.939 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244724 1109727695 /nfs/dbraw/zinc/72/76/95/1109727695.db2.gz WOWYWYXLBHYOBS-VQTJNVASSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323792 1109767184 /nfs/dbraw/zinc/76/71/84/1109767184.db2.gz GWCLRBZDDCXTNQ-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249658 1111219341 /nfs/dbraw/zinc/21/93/41/1111219341.db2.gz MKCXVFALJMQXCT-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321774 1111410445 /nfs/dbraw/zinc/41/04/45/1111410445.db2.gz DTBGARGNHCBDDV-QRVBRYPASA-N 2 0 335.536 2.901 20 30 EFEDRP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229250 1111563762 /nfs/dbraw/zinc/56/37/62/1111563762.db2.gz ICMLIISLKLXSAO-MSOLQXFVSA-N 2 0 335.536 2.737 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001106516923 1111597347 /nfs/dbraw/zinc/59/73/47/1111597347.db2.gz QQDMWPJVZMYGNT-KZNAEPCWSA-N 2 0 335.536 2.900 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC001106588269 1111657471 /nfs/dbraw/zinc/65/74/71/1111657471.db2.gz NLBNMQQCMFLAQF-NVXWUHKLSA-N 2 0 333.476 2.605 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106730556 1111775597 /nfs/dbraw/zinc/77/55/97/1111775597.db2.gz FAQGZEPJYGPOCD-OIISXLGYSA-N 2 0 341.927 2.686 20 30 EFEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001106859967 1111915919 /nfs/dbraw/zinc/91/59/19/1111915919.db2.gz BUDSRSYLXOJLCC-YLJYHZDGSA-N 2 0 347.547 2.759 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC001106869186 1111932759 /nfs/dbraw/zinc/93/27/59/1111932759.db2.gz VNNDNEPOWJJEFC-MISYRCLQSA-N 2 0 343.515 2.940 20 30 EFEDRP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099310451 1112008520 /nfs/dbraw/zinc/00/85/20/1112008520.db2.gz MTOQWYQPCDQTHM-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386072 1112049491 /nfs/dbraw/zinc/04/94/91/1112049491.db2.gz MKPVWUNSFWZNKJ-ZWKOTPCHSA-N 2 0 333.520 2.511 20 30 EFEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473517 1112200441 /nfs/dbraw/zinc/20/04/41/1112200441.db2.gz YKJYELFROZYSDK-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536310 1112275651 /nfs/dbraw/zinc/27/56/51/1112275651.db2.gz BBOXWZDQRKHCDU-JKSUJKDBSA-N 2 0 341.927 2.688 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)CC(C)(C)C2)CC1 ZINC001089560768 1112309324 /nfs/dbraw/zinc/30/93/24/1112309324.db2.gz GWZKDCXEAORKGX-LJQANCHMSA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561167 1112310259 /nfs/dbraw/zinc/31/02/59/1112310259.db2.gz NRFFDNLXGVZKBY-IBGZPJMESA-N 2 0 347.547 2.594 20 30 EFEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565631 1112318049 /nfs/dbraw/zinc/31/80/49/1112318049.db2.gz UYQKNXPUGFSHGK-SFHVURJKSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089663978 1112607870 /nfs/dbraw/zinc/60/78/70/1112607870.db2.gz BRUSGFOEOQSFHV-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664894 1112618339 /nfs/dbraw/zinc/61/83/39/1112618339.db2.gz QBEVKHGYSMJOQR-KRWDZBQOSA-N 2 0 333.520 2.798 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089704951 1112850376 /nfs/dbraw/zinc/85/03/76/1112850376.db2.gz ADCRTJGMLUZUKF-RBUKOAKNSA-N 2 0 347.547 2.879 20 30 EFEDRP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089704949 1112850451 /nfs/dbraw/zinc/85/04/51/1112850451.db2.gz ADCRTJGMLUZUKF-MOPGFXCFSA-N 2 0 347.547 2.879 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106908016 1112867976 /nfs/dbraw/zinc/86/79/76/1112867976.db2.gz MAEKNMXUGIUPIL-QZTJIDSGSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001089806633 1113060689 /nfs/dbraw/zinc/06/06/89/1113060689.db2.gz RIPNZEHWZDPTAV-RDGPPVDQSA-N 2 0 345.531 2.606 20 30 EFEDRP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001272691768 1117784288 /nfs/dbraw/zinc/78/42/88/1117784288.db2.gz NMCYAEAHRPZQLA-APWZRJJASA-N 2 0 329.488 2.563 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001089845165 1118241344 /nfs/dbraw/zinc/24/13/44/1118241344.db2.gz DCBUILSMDYTHBU-OKYOBFRVSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(C[C@H]2C(=O)NCCn2ccnc2)CC1 ZINC001272700624 1118533157 /nfs/dbraw/zinc/53/31/57/1118533157.db2.gz ZLXFDGCMNPOVML-SFHVURJKSA-N 2 0 344.503 2.848 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529954 1118930626 /nfs/dbraw/zinc/93/06/26/1118930626.db2.gz OFORLHKJPPXEHM-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942723993 1119087028 /nfs/dbraw/zinc/08/70/28/1119087028.db2.gz RUTQPGZLMIPUCK-XLIONFOSSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514431 1119529478 /nfs/dbraw/zinc/52/94/78/1119529478.db2.gz CEXPQNGMBFOXIK-VQIMIIECSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944046701 1119892759 /nfs/dbraw/zinc/89/27/59/1119892759.db2.gz KKMHFUBLFCANAF-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553875 1120163567 /nfs/dbraw/zinc/16/35/67/1120163567.db2.gz NTVDHWIANPVIMB-JKSUJKDBSA-N 2 0 327.900 2.536 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029124 1120520937 /nfs/dbraw/zinc/52/09/37/1120520937.db2.gz QQMDVHAQGOUGQA-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089880 1120560351 /nfs/dbraw/zinc/56/03/51/1120560351.db2.gz IRJVJIJWIMNDJX-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180109 1120648960 /nfs/dbraw/zinc/64/89/60/1120648960.db2.gz KOIGVJIHCICAFQ-HKUYNNGSSA-N 2 0 347.547 2.594 20 30 EFEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000180988193 234052237 /nfs/dbraw/zinc/05/22/37/234052237.db2.gz VXRTVFZRSJYBGR-KRWDZBQOSA-N 2 0 341.480 2.866 20 30 EFEDRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181387251 234171159 /nfs/dbraw/zinc/17/11/59/234171159.db2.gz HLJZLDXLNBVJSI-UHFFFAOYSA-N 2 0 328.504 2.700 20 30 EFEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859797 234356872 /nfs/dbraw/zinc/35/68/72/234356872.db2.gz VSURJESLWGEGBG-RTWAWAEBSA-N 2 0 340.515 2.985 20 30 EFEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000422972903 283159947 /nfs/dbraw/zinc/15/99/47/283159947.db2.gz AVUJIUMBPKSWDX-XYJFISCASA-N 2 0 330.451 2.773 20 30 EFEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000262358557 240349699 /nfs/dbraw/zinc/34/96/99/240349699.db2.gz ICOKQKINKQMJID-UHFFFAOYSA-N 2 0 328.338 2.574 20 30 EFEDRP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262428717 240350843 /nfs/dbraw/zinc/35/08/43/240350843.db2.gz SCTKZVAZPLHCMZ-SLFFLAALSA-N 2 0 340.515 2.753 20 30 EFEDRP CC/[NH+]=C(/N(C)C)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262483524 240355846 /nfs/dbraw/zinc/35/58/46/240355846.db2.gz SBAYHOUULVGOAT-LCPUNJGISA-N 2 0 328.504 2.912 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)C(C)C ZINC000262635792 240362439 /nfs/dbraw/zinc/36/24/39/240362439.db2.gz HWSWPRSBDNGVGN-RTBURBONSA-N 2 0 329.488 2.810 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248058945 240286879 /nfs/dbraw/zinc/28/68/79/240286879.db2.gz XWNXHYRKYBHQGZ-XUVXKRRUSA-N 2 0 344.499 2.571 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248058948 240287237 /nfs/dbraw/zinc/28/72/37/240287237.db2.gz XWNXHYRKYBHQGZ-ZCNNSNEGSA-N 2 0 344.499 2.571 20 30 EFEDRP C[NH+]=C(NCc1c(C)noc1C)NCC1([NH+](C)C)CCCCCC1 ZINC000261977947 240335256 /nfs/dbraw/zinc/33/52/56/240335256.db2.gz QXKNSTUGVAKHOF-UHFFFAOYSA-N 2 0 335.496 2.611 20 30 EFEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262010025 240340962 /nfs/dbraw/zinc/34/09/62/240340962.db2.gz JHOLTSNGZZUADY-CZUORRHYSA-N 2 0 338.858 2.952 20 30 EFEDRP Cc1ncsc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262023925 240342802 /nfs/dbraw/zinc/34/28/02/240342802.db2.gz YWICVBSHGJACLJ-UHFFFAOYSA-N 2 0 343.500 2.520 20 30 EFEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000329458229 241374322 /nfs/dbraw/zinc/37/43/22/241374322.db2.gz ODPBTPLPRHGOGK-FCEWJHQRSA-N 2 0 345.487 2.583 20 30 EFEDRP N#CC1(CCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000337192879 241678346 /nfs/dbraw/zinc/67/83/46/241678346.db2.gz UEGQDBSIBPONHT-UHFFFAOYSA-N 2 0 349.519 2.664 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358161391 242114522 /nfs/dbraw/zinc/11/45/22/242114522.db2.gz XKWIXNVRQXFCAE-IRXDYDNUSA-N 2 0 336.524 2.589 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000417067440 245003558 /nfs/dbraw/zinc/00/35/58/245003558.db2.gz ROONLZPYFMFBDC-FGTMMUONSA-N 2 0 336.524 2.596 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000264358843 246399017 /nfs/dbraw/zinc/39/90/17/246399017.db2.gz DEZVHTLHZLWAMS-LJQANCHMSA-N 2 0 344.503 2.547 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425899733 247210410 /nfs/dbraw/zinc/21/04/10/247210410.db2.gz MCDJUHZNYSDXCL-FQEVSTJZSA-N 2 0 346.519 2.930 20 30 EFEDRP C[N@@H+](CCC(=O)Nc1sccc1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000441350664 250023013 /nfs/dbraw/zinc/02/30/13/250023013.db2.gz CBECQLORRRHUOH-HNNXBMFYSA-N 2 0 334.489 2.755 20 30 EFEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000442708340 250104027 /nfs/dbraw/zinc/10/40/27/250104027.db2.gz FYQUBVVILRTBKB-NHCUHLMSSA-N 2 0 340.515 2.866 20 30 EFEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442711195 250106236 /nfs/dbraw/zinc/10/62/36/250106236.db2.gz RPTPAWGPWUUQQV-UXHICEINSA-N 2 0 326.488 2.606 20 30 EFEDRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000442727062 250107797 /nfs/dbraw/zinc/10/77/97/250107797.db2.gz VJDUPBVAKLZZRK-MISYRCLQSA-N 2 0 326.488 2.647 20 30 EFEDRP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000442886862 250136199 /nfs/dbraw/zinc/13/61/99/250136199.db2.gz UYTXJSIKNJRNQR-UHFFFAOYSA-N 2 0 343.471 2.644 20 30 EFEDRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C#N ZINC000443998525 250246780 /nfs/dbraw/zinc/24/67/80/250246780.db2.gz VEVXSNAGTUIANU-NRFANRHFSA-N 2 0 335.451 2.723 20 30 EFEDRP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449783333 251155244 /nfs/dbraw/zinc/15/52/44/251155244.db2.gz OHFYBYDYRYBIEY-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071645 145361618 /nfs/dbraw/zinc/36/16/18/145361618.db2.gz KIEIFIUJBARHAT-HXUWFJFHSA-N 2 0 340.515 2.844 20 30 EFEDRP CC[N@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000344077245 145362766 /nfs/dbraw/zinc/36/27/66/145362766.db2.gz PWOHLCMSCBULJG-UHFFFAOYSA-N 2 0 328.504 2.843 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)c(C#N)c1 ZINC000344155134 145381134 /nfs/dbraw/zinc/38/11/34/145381134.db2.gz JWRQNZLEGMDDNL-UHFFFAOYSA-N 2 0 332.467 2.547 20 30 EFEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000344160138 145381583 /nfs/dbraw/zinc/38/15/83/145381583.db2.gz DOKAARNTCPZMNY-SFHVURJKSA-N 2 0 328.504 2.969 20 30 EFEDRP C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000360841549 148466616 /nfs/dbraw/zinc/46/66/16/148466616.db2.gz SDQVCLJICFPURP-OXJNMPFZSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374156344 151292536 /nfs/dbraw/zinc/29/25/36/151292536.db2.gz CPIBBLLFJDWNQW-INIZCTEOSA-N 2 0 340.471 2.693 20 30 EFEDRP N#Cc1cccc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423108099 270028021 /nfs/dbraw/zinc/02/80/21/270028021.db2.gz SRQAVHAPJKBYBV-TZIWHRDSSA-N 2 0 333.435 2.946 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423462858 270028147 /nfs/dbraw/zinc/02/81/47/270028147.db2.gz FFFOBHJYFKZGCD-RTBURBONSA-N 2 0 326.488 2.630 20 30 EFEDRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084119 /nfs/dbraw/zinc/08/41/19/266084119.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 2 0 328.504 2.843 20 30 EFEDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000278264541 267383958 /nfs/dbraw/zinc/38/39/58/267383958.db2.gz OIQIDDNJRPYNJQ-HXUWFJFHSA-N 2 0 349.482 2.946 20 30 EFEDRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272608145 267799674 /nfs/dbraw/zinc/79/96/74/267799674.db2.gz UBNGOMCLLLSKLK-UHFFFAOYSA-N 2 0 337.471 2.780 20 30 EFEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852936 268065208 /nfs/dbraw/zinc/06/52/08/268065208.db2.gz IYDHKADTXODADK-SFTDATJTSA-N 2 0 338.499 2.739 20 30 EFEDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360833958 273663012 /nfs/dbraw/zinc/66/30/12/273663012.db2.gz IBIMUMFKIMMUBS-NRFANRHFSA-N 2 0 340.515 2.943 20 30 EFEDRP C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1 ZINC000360838879 274225722 /nfs/dbraw/zinc/22/57/22/274225722.db2.gz VUZPHDOFRMTMTA-UWJYYQICSA-N 2 0 340.515 2.799 20 30 EFEDRP COCC1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC[NH2+]CC1 ZINC000423403433 277199785 /nfs/dbraw/zinc/19/97/85/277199785.db2.gz HOSQBXJEFBRUDY-IBGZPJMESA-N 2 0 327.472 2.932 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000264091988 277908158 /nfs/dbraw/zinc/90/81/58/277908158.db2.gz LIWFJLXWVDLHLC-AWEZNQCLSA-N 2 0 334.464 2.552 20 30 EFEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@H]1C ZINC000262025036 278218213 /nfs/dbraw/zinc/21/82/13/278218213.db2.gz ZFJXPDUCUXVMIJ-CABCVRRESA-N 2 0 346.475 2.837 20 30 EFEDRP C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000360841548 278286257 /nfs/dbraw/zinc/28/62/57/278286257.db2.gz SDQVCLJICFPURP-JXFKEZNVSA-N 2 0 326.488 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360038 279329955 /nfs/dbraw/zinc/32/99/55/279329955.db2.gz YKOFENPWCLRTIZ-SFHVURJKSA-N 2 0 332.467 2.545 20 30 EFEDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000567163430 319144479 /nfs/dbraw/zinc/14/44/79/319144479.db2.gz ICNDBIBPMKMPIL-NRFANRHFSA-N 2 0 340.515 2.943 20 30 EFEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000576911147 320059200 /nfs/dbraw/zinc/05/92/00/320059200.db2.gz IHWABEQNUWKZFB-IRLDBZIGSA-N 2 0 347.462 2.902 20 30 EFEDRP [NH2+]=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1ccccc1 ZINC000081525632 473214371 /nfs/dbraw/zinc/21/43/71/473214371.db2.gz DUFMDLNWWHAXKD-UHFFFAOYSA-N 2 0 330.476 2.696 20 30 EFEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124390680 473240259 /nfs/dbraw/zinc/24/02/59/473240259.db2.gz QEKCKTJXHBVVGI-GOSISDBHSA-N 2 0 343.515 2.623 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708698 473299802 /nfs/dbraw/zinc/29/98/02/473299802.db2.gz RVIIHJMZIALDAV-KRWDZBQOSA-N 2 0 329.488 2.843 20 30 EFEDRP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCCCC1 ZINC000083032969 473317744 /nfs/dbraw/zinc/31/77/44/473317744.db2.gz LXLUJIUKZJASMC-NVXWUHKLSA-N 2 0 330.476 2.537 20 30 EFEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000069451248 472346106 /nfs/dbraw/zinc/34/61/06/472346106.db2.gz LAENBUABNKSUGE-IAGOWNOFSA-N 2 0 327.472 2.879 20 30 EFEDRP C=C(C)COc1cc(C[NH2+]CCC[N@@H+](C)CCOC)ccc1OC ZINC000057962817 472495262 /nfs/dbraw/zinc/49/52/62/472495262.db2.gz AUAGPOWYQWESPY-UHFFFAOYSA-N 2 0 336.476 2.708 20 30 EFEDRP C=C(C)COc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120073665 472626953 /nfs/dbraw/zinc/62/69/53/472626953.db2.gz QZIVBPVNZTYWSR-UHFFFAOYSA-N 2 0 348.491 2.599 20 30 EFEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000157393959 472815788 /nfs/dbraw/zinc/81/57/88/472815788.db2.gz OBCOHJOMQYZGKF-FUHWJXTLSA-N 2 0 344.503 2.783 20 30 EFEDRP C=CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000079303768 472847181 /nfs/dbraw/zinc/84/71/81/472847181.db2.gz NXVBLWQDZQILEI-IRXDYDNUSA-N 2 0 329.488 2.841 20 30 EFEDRP C[NH+]1CCN(C[C@H]([NH2+]CC(C)(C)CCC#N)c2ccccc2)CC1 ZINC000092175318 472870274 /nfs/dbraw/zinc/87/02/74/472870274.db2.gz LCHJAYKJPJGOBP-IBGZPJMESA-N 2 0 328.504 2.895 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492195 472873859 /nfs/dbraw/zinc/87/38/59/472873859.db2.gz HTPJGJXTQMZLOQ-HXUWFJFHSA-N 2 0 346.515 2.819 20 30 EFEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(CC#N)CC1 ZINC000080201278 472994390 /nfs/dbraw/zinc/99/43/90/472994390.db2.gz CZAPBKACGGKDJN-UHFFFAOYSA-N 2 0 328.504 2.722 20 30 EFEDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000160145738 473091210 /nfs/dbraw/zinc/09/12/10/473091210.db2.gz XKYWBRMJUFHXLM-SUMDDJOVSA-N 2 0 344.478 2.986 20 30 EFEDRP CC[NH+](CC)CCOC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000075007401 473111903 /nfs/dbraw/zinc/11/19/03/473111903.db2.gz VLJVXFHKGWRCHK-UHFFFAOYSA-N 2 0 345.487 2.760 20 30 EFEDRP C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125955636 473475186 /nfs/dbraw/zinc/47/51/86/473475186.db2.gz ZQQDQBOBEGXOHE-PKOBYXMFSA-N 2 0 329.488 2.664 20 30 EFEDRP C[C@H](NCC(=O)NC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688364 473488630 /nfs/dbraw/zinc/48/86/30/473488630.db2.gz BQUMPEVIPIQJOR-IRXDYDNUSA-N 2 0 346.519 2.572 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000178573532 473533181 /nfs/dbraw/zinc/53/31/81/473533181.db2.gz ILLVSTKHEGMJDH-UHFFFAOYSA-N 2 0 332.492 2.756 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000178575155 473533290 /nfs/dbraw/zinc/53/32/90/473533290.db2.gz MHSJSNNAQPWDKU-UHFFFAOYSA-N 2 0 344.434 2.500 20 30 EFEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938761 473890871 /nfs/dbraw/zinc/89/08/71/473890871.db2.gz IRKGRXFVIPUXFW-HXUWFJFHSA-N 2 0 341.499 2.617 20 30 EFEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264107121 473950489 /nfs/dbraw/zinc/95/04/89/473950489.db2.gz PXVNYQDCJOMCCP-UHFFFAOYSA-N 2 0 345.535 2.954 20 30 EFEDRP CC(C)c1cccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)c1 ZINC000264106144 473951154 /nfs/dbraw/zinc/95/11/54/473951154.db2.gz PNMVEJMXTWNFCL-UHFFFAOYSA-N 2 0 331.508 2.564 20 30 EFEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000264125524 473951643 /nfs/dbraw/zinc/95/16/43/473951643.db2.gz SBTAKTWJZMNNFI-HOTGVXAUSA-N 2 0 332.492 2.500 20 30 EFEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264117836 473952534 /nfs/dbraw/zinc/95/25/34/473952534.db2.gz TYHYYEWNNJYVJN-QGZVFWFLSA-N 2 0 345.535 2.810 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000180758120 473959856 /nfs/dbraw/zinc/95/98/56/473959856.db2.gz FUAWCMDEFULZRZ-UHFFFAOYSA-N 2 0 347.547 2.692 20 30 EFEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000613666888 480074132 /nfs/dbraw/zinc/07/41/32/480074132.db2.gz ZUTUGRUWXXIIEJ-OXJNMPFZSA-N 2 0 326.488 2.551 20 30 EFEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000613666890 480074528 /nfs/dbraw/zinc/07/45/28/480074528.db2.gz ZUTUGRUWXXIIEJ-UZLBHIALSA-N 2 0 326.488 2.551 20 30 EFEDRP N#Cc1cccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246924502 474005269 /nfs/dbraw/zinc/00/52/69/474005269.db2.gz SRQVQBDSIVHEMS-FXAWDEMLSA-N 2 0 325.456 2.886 20 30 EFEDRP C[NH+](C)CCCOc1cnccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000288733998 474035028 /nfs/dbraw/zinc/03/50/28/474035028.db2.gz OAYQQOYKKBLEGQ-UHFFFAOYSA-N 2 0 347.507 2.539 20 30 EFEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181691081 474056803 /nfs/dbraw/zinc/05/68/03/474056803.db2.gz SSJHIWWXAQPEBP-QZTJIDSGSA-N 2 0 344.503 2.513 20 30 EFEDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181696911 474058137 /nfs/dbraw/zinc/05/81/37/474058137.db2.gz OGEAEHLMHIESKD-QGZVFWFLSA-N 2 0 344.503 2.513 20 30 EFEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCC1 ZINC000275572221 474240181 /nfs/dbraw/zinc/24/01/81/474240181.db2.gz ICUWVBBHSZAHPK-UHFFFAOYSA-N 2 0 330.354 2.796 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000236679494 474279719 /nfs/dbraw/zinc/27/97/19/474279719.db2.gz WYEZIWUIQTWVAX-XVLXNVKGSA-N 2 0 333.520 2.722 20 30 EFEDRP C[NH+]1CCC(Oc2ccc(CNC(=[NH2+])NC3CCCCC3)cc2)CC1 ZINC000283957140 474535689 /nfs/dbraw/zinc/53/56/89/474535689.db2.gz KKMSZGKJIIWSOV-UHFFFAOYSA-N 2 0 344.503 2.897 20 30 EFEDRP C=CCC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276500102 474565313 /nfs/dbraw/zinc/56/53/13/474565313.db2.gz WCWQASHCCOXLCS-KRWDZBQOSA-N 2 0 329.488 2.664 20 30 EFEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271488531 474568273 /nfs/dbraw/zinc/56/82/73/474568273.db2.gz KAUCGNOFNWURIF-ORYQWCPZSA-N 2 0 342.483 2.727 20 30 EFEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000290384619 474569237 /nfs/dbraw/zinc/56/92/37/474569237.db2.gz OFPIAXIGUAKJCC-JOCHJYFZSA-N 2 0 334.463 2.914 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290563706 474577699 /nfs/dbraw/zinc/57/76/99/474577699.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 2 0 326.488 2.953 20 30 EFEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290563717 474577788 /nfs/dbraw/zinc/57/77/88/474577788.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 2 0 326.488 2.953 20 30 EFEDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746871 474594815 /nfs/dbraw/zinc/59/48/15/474594815.db2.gz KLPGANVMBFCTIJ-GOSISDBHSA-N 2 0 344.503 2.627 20 30 EFEDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271942694 474598774 /nfs/dbraw/zinc/59/87/74/474598774.db2.gz MMQSUFLFFFSGDJ-CQSZACIVSA-N 2 0 342.418 2.884 20 30 EFEDRP COc1ccc(NC(=[NH2+])NCCN(C)Cc2ccc(F)cc2)cc1 ZINC000267283988 474637065 /nfs/dbraw/zinc/63/70/65/474637065.db2.gz HGLZLEKNIXDOPM-UHFFFAOYSA-N 2 0 330.407 2.693 20 30 EFEDRP N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000304696055 474661117 /nfs/dbraw/zinc/66/11/17/474661117.db2.gz FOYUPVDUHHBKGT-UHFFFAOYSA-N 2 0 341.480 2.866 20 30 EFEDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000292933806 474722437 /nfs/dbraw/zinc/72/24/37/474722437.db2.gz JIKBPCNJBHENMZ-LJQANCHMSA-N 2 0 337.427 2.526 20 30 EFEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000344702519 474781952 /nfs/dbraw/zinc/78/19/52/474781952.db2.gz SNVNUAJUVUBUFX-UHFFFAOYSA-N 2 0 336.524 2.533 20 30 EFEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000339014322 474835221 /nfs/dbraw/zinc/83/52/21/474835221.db2.gz RFFOQTZXAVWEGI-AZUAARDMSA-N 2 0 332.536 2.807 20 30 EFEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000341111042 474984822 /nfs/dbraw/zinc/98/48/22/474984822.db2.gz VRPOSRDFLYFNJA-IBGZPJMESA-N 2 0 348.535 2.591 20 30 EFEDRP C[NH+]1CCC(C)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285979139 475047136 /nfs/dbraw/zinc/04/71/36/475047136.db2.gz GKURPBWKKLMVSM-UHFFFAOYSA-N 2 0 326.488 2.849 20 30 EFEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281890 475058853 /nfs/dbraw/zinc/05/88/53/475058853.db2.gz VUNVYGVMSDWOCY-ICSRJNTNSA-N 2 0 326.488 2.989 20 30 EFEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268962788 475097759 /nfs/dbraw/zinc/09/77/59/475097759.db2.gz JOEVWJDODWDZNX-SFTDATJTSA-N 2 0 342.483 2.556 20 30 EFEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330240708 475216930 /nfs/dbraw/zinc/21/69/30/475216930.db2.gz WBDUFPHXDWJXRE-ATLSCFEFSA-N 2 0 337.508 2.584 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCc2nccn21)C(C)C ZINC000352607255 475455528 /nfs/dbraw/zinc/45/55/28/475455528.db2.gz RBVZRVQOROERMR-IRXDYDNUSA-N 2 0 330.476 2.575 20 30 EFEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1=O ZINC000352830359 475648743 /nfs/dbraw/zinc/64/87/43/475648743.db2.gz RVGQRKDSEFGJTE-FQEVSTJZSA-N 2 0 341.499 2.795 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000352873095 475661202 /nfs/dbraw/zinc/66/12/02/475661202.db2.gz HYWYBKWPEKOLOY-WBVHZDCISA-N 2 0 348.491 2.658 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000352873093 475661387 /nfs/dbraw/zinc/66/13/87/475661387.db2.gz HYWYBKWPEKOLOY-NVXWUHKLSA-N 2 0 348.491 2.658 20 30 EFEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891535 476128427 /nfs/dbraw/zinc/12/84/27/476128427.db2.gz YPIQHAQZUNKZPZ-UWVAXJGDSA-N 2 0 326.488 2.577 20 30 EFEDRP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350922599 476314130 /nfs/dbraw/zinc/31/41/30/476314130.db2.gz VUCHFJNNTNREAO-OHTSDLOESA-N 2 0 348.535 2.579 20 30 EFEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000357299685 476321135 /nfs/dbraw/zinc/32/11/35/476321135.db2.gz FUHIMOPGIBFLCY-LJQANCHMSA-N 2 0 327.472 2.991 20 30 EFEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000368535999 476355721 /nfs/dbraw/zinc/35/57/21/476355721.db2.gz CEARBTCMPFICDB-LFGUQSLTSA-N 2 0 329.488 2.863 20 30 EFEDRP C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377633975 476490917 /nfs/dbraw/zinc/49/09/17/476490917.db2.gz WDYNVRYPAMKLNU-FQEVSTJZSA-N 2 0 343.515 2.852 20 30 EFEDRP CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218184 476511527 /nfs/dbraw/zinc/51/15/27/476511527.db2.gz ABTKATLMSHMIBB-WBVHZDCISA-N 2 0 331.460 2.750 20 30 EFEDRP CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000354218180 476512183 /nfs/dbraw/zinc/51/21/83/476512183.db2.gz ABTKATLMSHMIBB-NVXWUHKLSA-N 2 0 331.460 2.750 20 30 EFEDRP C=C(C)CN1CCC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422981436 476878377 /nfs/dbraw/zinc/87/83/77/476878377.db2.gz SURFNCYAELCFKN-PZJWPPBQSA-N 3 0 341.499 2.872 20 30 EFEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422986955 476878914 /nfs/dbraw/zinc/87/89/14/476878914.db2.gz HPVCYVQVVHDLLC-IPMKNSEASA-N 2 0 345.512 2.538 20 30 EFEDRP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423218983 476967565 /nfs/dbraw/zinc/96/75/65/476967565.db2.gz SWMJMEMSLXDMGV-APWZRJJASA-N 2 0 326.488 2.500 20 30 EFEDRP C[C@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000423351337 477003015 /nfs/dbraw/zinc/00/30/15/477003015.db2.gz YVDIHGYSEGSAEB-FQEVSTJZSA-N 2 0 326.488 2.502 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000423421817 477028903 /nfs/dbraw/zinc/02/89/03/477028903.db2.gz KMXQVXZBYFENLC-UAPYVXQJSA-N 2 0 340.515 2.877 20 30 EFEDRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000424131027 477301367 /nfs/dbraw/zinc/30/13/67/477301367.db2.gz GCCJIAHQJGDBSG-JKSUJKDBSA-N 2 0 348.516 2.658 20 30 EFEDRP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000424131026 477301623 /nfs/dbraw/zinc/30/16/23/477301623.db2.gz GCCJIAHQJGDBSG-HZPDHXFCSA-N 2 0 348.516 2.658 20 30 EFEDRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c2)CC1 ZINC000424150984 477310205 /nfs/dbraw/zinc/31/02/05/477310205.db2.gz GWQQFXKAVLPLSF-LJQANCHMSA-N 2 0 342.487 2.556 20 30 EFEDRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000376387402 477310363 /nfs/dbraw/zinc/31/03/63/477310363.db2.gz QLTJLGMSYKHBSS-UHFFFAOYSA-N 2 0 340.471 2.695 20 30 EFEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000424176957 477318051 /nfs/dbraw/zinc/31/80/51/477318051.db2.gz SJOXUVJOGQVBOI-ICSRJNTNSA-N 2 0 329.488 2.509 20 30 EFEDRP C=CCn1c(C)cc(C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424285597 477356805 /nfs/dbraw/zinc/35/68/05/477356805.db2.gz FZWMLMSBLDYOKO-MRXNPFEDSA-N 2 0 329.488 2.938 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000515404058 477819221 /nfs/dbraw/zinc/81/92/21/477819221.db2.gz HNKMIFZGADPYQM-IRFCIJBXSA-N 2 0 338.499 2.500 20 30 EFEDRP C=CCCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000494576541 478016310 /nfs/dbraw/zinc/01/63/10/478016310.db2.gz AXAARISHIQQESW-UHFFFAOYSA-N 2 0 343.515 2.913 20 30 EFEDRP C[NH+](C)C1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000421369107 478060186 /nfs/dbraw/zinc/06/01/86/478060186.db2.gz HFYROBZKSWYXIV-UHFFFAOYSA-N 2 0 340.515 2.985 20 30 EFEDRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438944 478389733 /nfs/dbraw/zinc/38/97/33/478389733.db2.gz RCDUTFBNHWVXEH-MRXNPFEDSA-N 2 0 343.475 2.542 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000491678456 478629711 /nfs/dbraw/zinc/62/97/11/478629711.db2.gz BNLUXRYMDICSMC-LJQANCHMSA-N 2 0 325.456 2.519 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000491678455 478629863 /nfs/dbraw/zinc/62/98/63/478629863.db2.gz BNLUXRYMDICSMC-IBGZPJMESA-N 2 0 325.456 2.519 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)C(C)C ZINC000502950058 478832481 /nfs/dbraw/zinc/83/24/81/478832481.db2.gz PAUWCSLDNMNXLJ-LJQANCHMSA-N 2 0 348.535 2.565 20 30 EFEDRP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598602866 478922058 /nfs/dbraw/zinc/92/20/58/478922058.db2.gz WKHZKYHILHDEDH-UHOSZYNNSA-N 2 0 329.488 2.787 20 30 EFEDRP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598602864 478922422 /nfs/dbraw/zinc/92/24/22/478922422.db2.gz WKHZKYHILHDEDH-QXAKKESOSA-N 2 0 329.488 2.787 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000565358198 478987467 /nfs/dbraw/zinc/98/74/67/478987467.db2.gz MLDXGHYUOASXSC-MJGOQNOKSA-N 2 0 345.487 2.542 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000565358197 478987820 /nfs/dbraw/zinc/98/78/20/478987820.db2.gz MLDXGHYUOASXSC-IEBWSBKVSA-N 2 0 345.487 2.542 20 30 EFEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000601967079 479100124 /nfs/dbraw/zinc/10/01/24/479100124.db2.gz HRUKNLIEXHEVQL-QRQLOZEOSA-N 2 0 329.488 2.645 20 30 EFEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000567776312 479115394 /nfs/dbraw/zinc/11/53/94/479115394.db2.gz WZNWWWOZZIBQDE-PMACEKPBSA-N 2 0 341.499 2.688 20 30 EFEDRP CC(C)CC[C@H](CO)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000598991219 479117546 /nfs/dbraw/zinc/11/75/46/479117546.db2.gz MBYLBLUOSSIBNI-HXUWFJFHSA-N 2 0 329.488 2.909 20 30 EFEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994308 479119731 /nfs/dbraw/zinc/11/97/31/479119731.db2.gz JLLXRVKOZJAQGF-FQEVSTJZSA-N 2 0 340.515 2.844 20 30 EFEDRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(C#N)cc1F ZINC000602020146 479141328 /nfs/dbraw/zinc/14/13/28/479141328.db2.gz JDDMSVKRIDERTQ-ZDUSSCGKSA-N 2 0 325.391 2.675 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000602021198 479141608 /nfs/dbraw/zinc/14/16/08/479141608.db2.gz OLQNDWAMYWEHAI-UAPYVXQJSA-N 2 0 326.488 2.630 20 30 EFEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000574440830 479286684 /nfs/dbraw/zinc/28/66/84/479286684.db2.gz GCXYVAZQOSQJPE-GOSISDBHSA-N 2 0 326.488 2.502 20 30 EFEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000593323322 479294645 /nfs/dbraw/zinc/29/46/45/479294645.db2.gz UFVXQVPTTXDQCT-SFHLNBCPSA-N 2 0 338.499 2.500 20 30 EFEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602479066 479357747 /nfs/dbraw/zinc/35/77/47/479357747.db2.gz CXBPFHCZXKNCTB-UHFFFAOYSA-N 2 0 330.476 2.524 20 30 EFEDRP CC(C)[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611390950 479365802 /nfs/dbraw/zinc/36/58/02/479365802.db2.gz XBTRTBPCZKBODY-LEWJYISDSA-N 2 0 340.515 2.797 20 30 EFEDRP CC(C)[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000611390951 479365959 /nfs/dbraw/zinc/36/59/59/479365959.db2.gz XBTRTBPCZKBODY-NHCUHLMSSA-N 2 0 340.515 2.797 20 30 EFEDRP C[C@@H](CCC#N)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000602509787 479375173 /nfs/dbraw/zinc/37/51/73/479375173.db2.gz STLIIZNFVFLFQO-IBGZPJMESA-N 2 0 328.504 2.724 20 30 EFEDRP N#Cc1cccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000602522497 479380659 /nfs/dbraw/zinc/38/06/59/479380659.db2.gz WJGNGLODFAYALF-UHFFFAOYSA-N 2 0 349.482 2.645 20 30 EFEDRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593703221 479429780 /nfs/dbraw/zinc/42/97/80/479429780.db2.gz QXLHHYUGSOTOHY-UHFFFAOYSA-N 2 0 340.515 2.987 20 30 EFEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000593912128 479506250 /nfs/dbraw/zinc/50/62/50/479506250.db2.gz ASUGCZJKXMJGRK-SFNKJDCFSA-N 2 0 342.487 2.517 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532011 480420436 /nfs/dbraw/zinc/42/04/36/480420436.db2.gz QQYJHAPOZKBXSZ-AZUAARDMSA-N 2 0 346.515 2.865 20 30 EFEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705491 481272822 /nfs/dbraw/zinc/27/28/22/481272822.db2.gz JKJXGEJGHBQLPJ-BJLQDIEVSA-N 2 0 330.472 2.970 20 30 EFEDRP COc1ccccc1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000170903789 534074640 /nfs/dbraw/zinc/07/46/40/534074640.db2.gz FOZVIVLZNXKMIA-INIZCTEOSA-N 2 0 332.492 2.754 20 30 EFEDRP C=CCc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782686 534413997 /nfs/dbraw/zinc/41/39/97/534413997.db2.gz ORAZMYFPEBHMFY-MSOLQXFVSA-N 2 0 330.472 2.951 20 30 EFEDRP C=CCc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1O ZINC000414782688 534414454 /nfs/dbraw/zinc/41/44/54/534414454.db2.gz ORAZMYFPEBHMFY-QZTJIDSGSA-N 2 0 330.472 2.951 20 30 EFEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841829 522677818 /nfs/dbraw/zinc/67/78/18/522677818.db2.gz PTXGAUNTSUNMOG-CQSZACIVSA-N 2 0 348.878 2.814 20 30 EFEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CC[C@H](CSc2ccccc2)C1 ZINC000176645563 526377683 /nfs/dbraw/zinc/37/76/83/526377683.db2.gz WHDANPRKEFUCNJ-SJORKVTESA-N 2 0 346.544 2.628 20 30 EFEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000171728044 526430928 /nfs/dbraw/zinc/43/09/28/526430928.db2.gz UGINIDUOIXXYMU-UHFFFAOYSA-N 2 0 348.535 2.591 20 30 EFEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000177050752 527263278 /nfs/dbraw/zinc/26/32/78/527263278.db2.gz XOMPSOGHZPQBGU-HXUWFJFHSA-N 2 0 346.515 2.961 20 30 EFEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170912901 528269464 /nfs/dbraw/zinc/26/94/64/528269464.db2.gz ATXWEGOGALPOKC-KRWDZBQOSA-N 2 0 325.460 2.761 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160600183 529059391 /nfs/dbraw/zinc/05/93/91/529059391.db2.gz XRHADSODGFOABI-LLVKDONJSA-N 2 0 330.354 2.796 20 30 EFEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCS[C@H](C(C)C)C1 ZINC000261708000 535262721 /nfs/dbraw/zinc/26/27/21/535262721.db2.gz GWIGIEORCSRQJA-RDJZCZTQSA-N 2 0 338.565 2.510 20 30 EFEDRP C=CCCn1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000657389229 547141687 /nfs/dbraw/zinc/14/16/87/547141687.db2.gz TWLSJFOTZSXBSV-HKUYNNGSSA-N 2 0 339.487 2.997 20 30 EFEDRP CCn1ccc(C[NH+](C)CC#CC[N@@H+](C)Cc2ccn(CC)c2)c1 ZINC000671243742 547548552 /nfs/dbraw/zinc/54/85/52/547548552.db2.gz SDKHNQHNUCIOBL-UHFFFAOYSA-N 2 0 326.488 2.897 20 30 EFEDRP Cc1ccn(CN2CCC(C[NH+]3CCCCCC3)CC2)c(=O)c1C#N ZINC000758202986 575862927 /nfs/dbraw/zinc/86/29/27/575862927.db2.gz BSGVFCUHCPVHGG-UHFFFAOYSA-N 2 0 342.487 2.574 20 30 EFEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000762480830 576306448 /nfs/dbraw/zinc/30/64/48/576306448.db2.gz CRLPEPUXDHLVMA-IAGOWNOFSA-N 2 0 331.460 2.568 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000764072537 576426849 /nfs/dbraw/zinc/42/68/49/576426849.db2.gz BQJWEFSOUSBPAJ-QGZVFWFLSA-N 2 0 337.895 2.957 20 30 EFEDRP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000766712542 577179221 /nfs/dbraw/zinc/17/92/21/577179221.db2.gz PWUJBLSGMWDJSF-UHFFFAOYSA-N 2 0 330.476 2.800 20 30 EFEDRP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769383162 577357255 /nfs/dbraw/zinc/35/72/55/577357255.db2.gz DKFXNHCHIWKUOG-INIZCTEOSA-N 2 0 331.460 2.520 20 30 EFEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769383165 577357435 /nfs/dbraw/zinc/35/74/35/577357435.db2.gz DKFXNHCHIWKUOG-MRXNPFEDSA-N 2 0 331.460 2.520 20 30 EFEDRP C#CCOc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000769514273 577368833 /nfs/dbraw/zinc/36/88/33/577368833.db2.gz IIYMSVATQHYDGB-HXUWFJFHSA-N 2 0 330.472 2.631 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001754561258 1249101805 /nfs/dbraw/zinc/10/18/05/1249101805.db2.gz NRKOSXLUZQYEGJ-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CC2CC(C)(C)C2)CC1 ZINC001752229937 1249369529 /nfs/dbraw/zinc/36/95/29/1249369529.db2.gz PYLBOVYVSGOVQS-UHFFFAOYSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001752827385 1251585240 /nfs/dbraw/zinc/58/52/40/1251585240.db2.gz CINVCSJCZMPRKO-INIZCTEOSA-N 2 0 335.517 2.970 20 30 EFEDRP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089684485 1252168097 /nfs/dbraw/zinc/16/80/97/1252168097.db2.gz QCGCFVCERVSLIC-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574992 1253154215 /nfs/dbraw/zinc/15/42/15/1253154215.db2.gz NNIKBVLCWSLNHR-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945332492 1253180552 /nfs/dbraw/zinc/18/05/52/1253180552.db2.gz COXITTHGNARKTM-WMZOPIPTSA-N 2 0 345.487 2.585 20 30 EFEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945333737 1253183123 /nfs/dbraw/zinc/18/31/23/1253183123.db2.gz KIFFWXULDXNFKB-WBVHZDCISA-N 2 0 333.476 2.748 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995853004 1254792518 /nfs/dbraw/zinc/79/25/18/1254792518.db2.gz ASRCKMCWNBZXJH-HNNXBMFYSA-N 2 0 335.517 2.826 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000996299981 1255184562 /nfs/dbraw/zinc/18/45/62/1255184562.db2.gz HWULHVLJTYLFHY-BEFAXECRSA-N 2 0 339.499 2.602 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000996475326 1255343200 /nfs/dbraw/zinc/34/32/00/1255343200.db2.gz HVZDZQXZEMSHCC-INIZCTEOSA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996506590 1255370311 /nfs/dbraw/zinc/37/03/11/1255370311.db2.gz MVMYYTGHNLJTNU-WIYYLYMNSA-N 2 0 343.515 2.866 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996657969 1255649800 /nfs/dbraw/zinc/64/98/00/1255649800.db2.gz AAHBYKQLDMZQRK-QGZVFWFLSA-N 2 0 349.906 2.941 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107436292 1255812986 /nfs/dbraw/zinc/81/29/86/1255812986.db2.gz UGCLZNIGIQQJQJ-QWFCFKBJSA-N 2 0 333.520 2.796 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435816 1255813607 /nfs/dbraw/zinc/81/36/07/1255813607.db2.gz BHDCFGKXAFAHRT-QKNQBKEWSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001107451149 1255855717 /nfs/dbraw/zinc/85/57/17/1255855717.db2.gz PIFYRRAJQMFQLD-NLWGTHIKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107461248 1255897529 /nfs/dbraw/zinc/89/75/29/1255897529.db2.gz AUOZGSCQOAXIBE-UYAOXDASSA-N 2 0 345.531 2.942 20 30 EFEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107487486 1255958514 /nfs/dbraw/zinc/95/85/14/1255958514.db2.gz UYEDRHVPCUPYPN-UYAOXDASSA-N 2 0 345.531 2.635 20 30 EFEDRP CC#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCCC1 ZINC001098821508 1255992319 /nfs/dbraw/zinc/99/23/19/1255992319.db2.gz PAXIYWJTXPFTDR-QUCCMNQESA-N 2 0 347.547 2.739 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547079 1256106612 /nfs/dbraw/zinc/10/66/12/1256106612.db2.gz ZOBCDWJMONXXGN-LZLYRXPVSA-N 2 0 339.911 2.584 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552425 1256117101 /nfs/dbraw/zinc/11/71/01/1256117101.db2.gz MXAXXDQLULXZEI-YLJYHZDGSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587442 1256221396 /nfs/dbraw/zinc/22/13/96/1256221396.db2.gz PGKJLMIXSYVJJY-UYAOXDASSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997096012 1256845510 /nfs/dbraw/zinc/84/55/10/1256845510.db2.gz CJBVBJSYBZZHCT-UHFFFAOYSA-N 2 0 335.879 2.695 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(CC)CC)CC1 ZINC000997150141 1257105413 /nfs/dbraw/zinc/10/54/13/1257105413.db2.gz VEOQTBWCSMNFOK-XLIONFOSSA-N 2 0 347.547 2.737 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405695 1257125678 /nfs/dbraw/zinc/12/56/78/1257125678.db2.gz OYEHBWCLYXJFSD-WDSOQIARSA-N 2 0 331.504 2.502 20 30 EFEDRP CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997344807 1257404041 /nfs/dbraw/zinc/40/40/41/1257404041.db2.gz JCPDPUKLOKJXNH-QGZVFWFLSA-N 2 0 341.499 2.602 20 30 EFEDRP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997432188 1257578171 /nfs/dbraw/zinc/57/81/71/1257578171.db2.gz VZKKHTSITSNNDY-MRXNPFEDSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997835838 1258511906 /nfs/dbraw/zinc/51/19/06/1258511906.db2.gz BXFOVIRKLSDNKM-HNNXBMFYSA-N 2 0 330.476 2.554 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC000997874942 1258558458 /nfs/dbraw/zinc/55/84/58/1258558458.db2.gz VBFYJBJXJAPBDO-ROUUACIJSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032583864 1258787540 /nfs/dbraw/zinc/78/75/40/1258787540.db2.gz GEUMYKVIPRXQOD-GBESFXJTSA-N 2 0 331.504 2.645 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009307 1258945089 /nfs/dbraw/zinc/94/50/89/1258945089.db2.gz WAQGGMUSZCGHCS-CEXWTWQISA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998018364 1258962494 /nfs/dbraw/zinc/96/24/94/1258962494.db2.gz OQYZFEZUNPJNGB-IXDOHACOSA-N 2 0 341.927 2.782 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998020292 1258971769 /nfs/dbraw/zinc/97/17/69/1258971769.db2.gz CDWQENZQGHARQI-VQTJNVASSA-N 2 0 347.547 2.691 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000998021701 1258973799 /nfs/dbraw/zinc/97/37/99/1258973799.db2.gz HBZPOMDEXLYVMM-OALUTQOASA-N 2 0 335.536 2.853 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998050169 1259031757 /nfs/dbraw/zinc/03/17/57/1259031757.db2.gz KRGQZKSLZWXOEA-GOSISDBHSA-N 2 0 338.455 2.674 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998165576 1259181427 /nfs/dbraw/zinc/18/14/27/1259181427.db2.gz MTXJPGGUMZSROC-FQEVSTJZSA-N 2 0 347.547 2.833 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CCCC)CC2)CC1 ZINC000998199751 1259221994 /nfs/dbraw/zinc/22/19/94/1259221994.db2.gz RLMUFLXDBVJOEQ-HXUWFJFHSA-N 2 0 347.547 2.835 20 30 EFEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000998769429 1259926688 /nfs/dbraw/zinc/92/66/88/1259926688.db2.gz LRDHGGYVCIOSCS-LRYGQEGESA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999794821 1260903845 /nfs/dbraw/zinc/90/38/45/1260903845.db2.gz VYZJPFLIMAALME-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000262429 1261342956 /nfs/dbraw/zinc/34/29/56/1261342956.db2.gz YUIBQFPPTAKIQB-AEFFLSMTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586495 1266416515 /nfs/dbraw/zinc/41/65/15/1266416515.db2.gz KXUFVUQRBRHIEN-HSALFYBXSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001000679449 1261551191 /nfs/dbraw/zinc/55/11/91/1261551191.db2.gz YGWFQUOZXICUPV-PKOBYXMFSA-N 2 0 349.906 2.797 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946900122 1261632800 /nfs/dbraw/zinc/63/28/00/1261632800.db2.gz ZGJFYHQEZHESSN-BGYRXZFFSA-N 2 0 341.499 2.718 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902387 1261663031 /nfs/dbraw/zinc/66/30/31/1261663031.db2.gz NCTSRQAZQPDLIJ-KDURUIRLSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946901962 1261674308 /nfs/dbraw/zinc/67/43/08/1261674308.db2.gz JDWNCCULGSIUAM-KDURUIRLSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001001355544 1262131973 /nfs/dbraw/zinc/13/19/73/1262131973.db2.gz YDCDALGLSHEQKJ-LJQANCHMSA-N 2 0 333.520 2.965 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C12CCC2 ZINC001078670031 1262154722 /nfs/dbraw/zinc/15/47/22/1262154722.db2.gz CTRVUGJNRBUYMU-HZPDHXFCSA-N 2 0 344.846 2.717 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699979 1262178327 /nfs/dbraw/zinc/17/83/27/1262178327.db2.gz DYMMZHVVAIJOQH-GJZGRUSLSA-N 2 0 339.911 2.630 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC001078768059 1262301984 /nfs/dbraw/zinc/30/19/84/1262301984.db2.gz MKBYSLDQYSGXLS-QZTJIDSGSA-N 2 0 333.520 2.700 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001078819305 1262362246 /nfs/dbraw/zinc/36/22/46/1262362246.db2.gz LSZFOEUROKZEGP-MOPGFXCFSA-N 2 0 341.499 2.955 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486220497 1262823517 /nfs/dbraw/zinc/82/35/17/1262823517.db2.gz LWDPURCLHBMXLM-MAUKXSAKSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082699603 1263289185 /nfs/dbraw/zinc/28/91/85/1263289185.db2.gz JNQWEGZZNZYKJH-QRQLOZEOSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469566 1263940813 /nfs/dbraw/zinc/94/08/13/1263940813.db2.gz BFYJCKNNWZVVFY-SJLPKXTDSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084663604 1264169274 /nfs/dbraw/zinc/16/92/74/1264169274.db2.gz KKDGSTGAIZJFMZ-WOJBJXKFSA-N 2 0 341.499 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723510 1264269233 /nfs/dbraw/zinc/26/92/33/1264269233.db2.gz LNCPBTOAOQHOJZ-WOJBJXKFSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084769218 1264368223 /nfs/dbraw/zinc/36/82/23/1264368223.db2.gz ZXEBFDVQSTYETF-QFUCXCTJSA-N 2 0 341.499 2.572 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853535 1264539558 /nfs/dbraw/zinc/53/95/58/1264539558.db2.gz XVHKASOLCZERMY-AQNXPRMDSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084938983 1264713104 /nfs/dbraw/zinc/71/31/04/1264713104.db2.gz NRLBZPQIGLKFMD-QRVBRYPASA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3CC)C[C@@H]21 ZINC001084944591 1264717057 /nfs/dbraw/zinc/71/70/57/1264717057.db2.gz YEEDNUCSHGHLDO-KURKYZTESA-N 2 0 344.503 2.896 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@@H]21 ZINC001084957946 1264764370 /nfs/dbraw/zinc/76/43/70/1264764370.db2.gz FZFIBYDZGQGGFS-HOJAQTOUSA-N 2 0 345.531 2.892 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958361 1264764710 /nfs/dbraw/zinc/76/47/10/1264764710.db2.gz WMVWBYYESSXJFW-QYZOEREBSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978521 1264808596 /nfs/dbraw/zinc/80/85/96/1264808596.db2.gz WKVHYVBXRBVYOO-AABGKKOBSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@H]21 ZINC001084978190 1264808788 /nfs/dbraw/zinc/80/87/88/1264808788.db2.gz BFRBJAQZBOPPNA-QYZOEREBSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199347 1266781072 /nfs/dbraw/zinc/78/10/72/1266781072.db2.gz HMNYPEBRJHAIDQ-BHIYHBOVSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004370033 1266789537 /nfs/dbraw/zinc/78/95/37/1266789537.db2.gz HBDPCOOAKJBZNQ-IRXDYDNUSA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004370034 1266789743 /nfs/dbraw/zinc/78/97/43/1266789743.db2.gz HBDPCOOAKJBZNQ-SJORKVTESA-N 2 0 339.911 2.536 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001085217695 1266841128 /nfs/dbraw/zinc/84/11/28/1266841128.db2.gz MFVXOVNBQPZPCV-BZUAXINKSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085217696 1266842086 /nfs/dbraw/zinc/84/20/86/1266842086.db2.gz MFVXOVNBQPZPCV-OAGGEKHMSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224509 1266857941 /nfs/dbraw/zinc/85/79/41/1266857941.db2.gz ISVWWMBNEONTPR-BRWVUGGUSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085225443 1266860904 /nfs/dbraw/zinc/86/09/04/1266860904.db2.gz WDNAPRAVYCWXJF-GUDVDZBRSA-N 2 0 333.520 2.987 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001004438976 1266999958 /nfs/dbraw/zinc/99/99/58/1266999958.db2.gz XTWGSJQBVQHFNC-OALUTQOASA-N 2 0 333.520 2.748 20 30 EFEDRP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004444915 1267015816 /nfs/dbraw/zinc/01/58/16/1267015816.db2.gz CENQQWCKWBDFNO-PMACEKPBSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001004445887 1267019488 /nfs/dbraw/zinc/01/94/88/1267019488.db2.gz JJSATOMJPNCZGS-OALUTQOASA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001085284426 1267030803 /nfs/dbraw/zinc/03/08/03/1267030803.db2.gz XNLGFADHYNBNNG-WOJBJXKFSA-N 2 0 343.515 2.997 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001004456367 1267085319 /nfs/dbraw/zinc/08/53/19/1267085319.db2.gz FDMVDXGTIGGERJ-UXHICEINSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458697 1267095824 /nfs/dbraw/zinc/09/58/24/1267095824.db2.gz QDWACVPJHMAVLY-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004465278 1267105824 /nfs/dbraw/zinc/10/58/24/1267105824.db2.gz RJWLVSHZTZMRKF-MOPGFXCFSA-N 2 0 335.536 2.852 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC[C@@H]2C1 ZINC000946615569 1267125156 /nfs/dbraw/zinc/12/51/56/1267125156.db2.gz OCZHJMWOBHBFLI-OTWHNJEPSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001004480527 1267135715 /nfs/dbraw/zinc/13/57/15/1267135715.db2.gz KHEKOSOZZCBKJX-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621092 1267188230 /nfs/dbraw/zinc/18/82/30/1267188230.db2.gz JUEPSWJAZIQXKI-HDICACEKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001004545370 1267264536 /nfs/dbraw/zinc/26/45/36/1267264536.db2.gz ZGZXIORHTGWPMA-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001004545621 1267265804 /nfs/dbraw/zinc/26/58/04/1267265804.db2.gz FCGQKPGNASDMHA-PKOBYXMFSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004545619 1267266860 /nfs/dbraw/zinc/26/68/60/1267266860.db2.gz FCGQKPGNASDMHA-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001004547023 1267268777 /nfs/dbraw/zinc/26/87/77/1267268777.db2.gz KOXWBAHRKYCJJL-IEBWSBKVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001004549424 1267276471 /nfs/dbraw/zinc/27/64/71/1267276471.db2.gz ZBOOISUMRKUSAW-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946631660 1267343154 /nfs/dbraw/zinc/34/31/54/1267343154.db2.gz SHLDYTSEWBLMPZ-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001004594619 1267358697 /nfs/dbraw/zinc/35/86/97/1267358697.db2.gz BAZRJNDHJDJARV-SFHVURJKSA-N 2 0 342.487 2.650 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033148081 1267398465 /nfs/dbraw/zinc/39/84/65/1267398465.db2.gz BOICOQDJZVKPIT-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)CN1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033151603 1267452661 /nfs/dbraw/zinc/45/26/61/1267452661.db2.gz KHHHNVIVYBPUCG-CVEARBPZSA-N 2 0 327.900 2.535 20 30 EFEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]2C1 ZINC000946651895 1267523960 /nfs/dbraw/zinc/52/39/60/1267523960.db2.gz HRTOTWONNFPYCA-CALCHBBNSA-N 2 0 338.455 2.613 20 30 EFEDRP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100827 1267675878 /nfs/dbraw/zinc/67/58/78/1267675878.db2.gz HFBVOVZPQCIVAZ-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639972 1268097249 /nfs/dbraw/zinc/09/72/49/1268097249.db2.gz ZOLKHCRUOMBRFC-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213177 1268221493 /nfs/dbraw/zinc/22/14/93/1268221493.db2.gz HVFPJCWTFCIGNU-QGZVFWFLSA-N 2 0 326.444 2.755 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820410 1268655761 /nfs/dbraw/zinc/65/57/61/1268655761.db2.gz ZHCYVHMHPSLTRK-FQEVSTJZSA-N 2 0 343.515 2.903 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946807734 1268769977 /nfs/dbraw/zinc/76/99/77/1268769977.db2.gz CXBRQXXMCAMSAV-BGYRXZFFSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818400 1268860680 /nfs/dbraw/zinc/86/06/80/1268860680.db2.gz JOSOSPIUWNCRSV-ZGXWSNOMSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366406 1268948433 /nfs/dbraw/zinc/94/84/33/1268948433.db2.gz WZCUKLNCWLXDFY-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417630 1269090512 /nfs/dbraw/zinc/09/05/12/1269090512.db2.gz WMIMZOZYHGZQQN-VQIMIIECSA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507341 1269280501 /nfs/dbraw/zinc/28/05/01/1269280501.db2.gz FKBOKVBGEVKYSJ-LJQANCHMSA-N 2 0 329.488 2.861 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001033554145 1269445277 /nfs/dbraw/zinc/44/52/77/1269445277.db2.gz ONBRZLBMWOQODF-LJQANCHMSA-N 2 0 338.455 2.985 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994240 1269448605 /nfs/dbraw/zinc/44/86/05/1269448605.db2.gz GMJOHZQOMMWQLN-INIZCTEOSA-N 2 0 333.476 2.844 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033685099 1269795409 /nfs/dbraw/zinc/79/54/09/1269795409.db2.gz KQKQYJOUKGZCGU-GOSISDBHSA-N 2 0 329.488 2.861 20 30 EFEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033832403 1270294345 /nfs/dbraw/zinc/29/43/45/1270294345.db2.gz FGHUFYMMULJUAC-ICSRJNTNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856776 1270402614 /nfs/dbraw/zinc/40/26/14/1270402614.db2.gz WGAAJEAUUYDWFI-RBUKOAKNSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033930768 1270594724 /nfs/dbraw/zinc/59/47/24/1270594724.db2.gz AIVUPIIPUNJCAP-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086250855 1270681698 /nfs/dbraw/zinc/68/16/98/1270681698.db2.gz POCLEROIXJGBQB-IXDOHACOSA-N 2 0 341.927 2.878 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086282407 1270816385 /nfs/dbraw/zinc/81/63/85/1270816385.db2.gz KIZGUDLOGHFLQM-IYBDPMFKSA-N 2 0 333.476 2.796 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012541 1270828472 /nfs/dbraw/zinc/82/84/72/1270828472.db2.gz PRPNJSDRXNUUQF-HXUWFJFHSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001086367061 1271162171 /nfs/dbraw/zinc/16/21/71/1271162171.db2.gz WLAJCEOCLHHNRQ-KZNAEPCWSA-N 2 0 333.520 2.702 20 30 EFEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210749 1271363924 /nfs/dbraw/zinc/36/39/24/1271363924.db2.gz JIYSHOITGAKHQO-RTBURBONSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034249617 1271424641 /nfs/dbraw/zinc/42/46/41/1271424641.db2.gz LZTBIWQXNIZWEN-IEBWSBKVSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCC2CCC2)C1 ZINC001034250572 1271425758 /nfs/dbraw/zinc/42/57/58/1271425758.db2.gz VBIJLVWNGBTXSR-UXHICEINSA-N 2 0 345.531 2.635 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CCCC2)C1 ZINC001034250251 1271426000 /nfs/dbraw/zinc/42/60/00/1271426000.db2.gz RIVUKCLDSMNQOF-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001086455837 1271568506 /nfs/dbraw/zinc/56/85/06/1271568506.db2.gz GBOZXDOJHNHMJK-LNLFQRSKSA-N 2 0 333.520 2.844 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034366142 1271786665 /nfs/dbraw/zinc/78/66/65/1271786665.db2.gz XEOCVVIFIFWHLX-QZTJIDSGSA-N 2 0 344.503 2.691 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108325038 1272247115 /nfs/dbraw/zinc/24/71/15/1272247115.db2.gz KLLRINFXTWJAMK-LJQANCHMSA-N 2 0 341.540 2.506 20 30 EFEDRP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545090 1272261704 /nfs/dbraw/zinc/26/17/04/1272261704.db2.gz ORQQGNPCYPZPHI-KRWDZBQOSA-N 2 0 345.487 2.729 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034662386 1272469870 /nfs/dbraw/zinc/46/98/70/1272469870.db2.gz GYLIWGVSUXWPCZ-LNLFQRSKSA-N 2 0 333.520 2.987 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001034674554 1272505173 /nfs/dbraw/zinc/50/51/73/1272505173.db2.gz JNHLPIIUMKVEDN-QAETUUGQSA-N 2 0 339.911 2.773 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001034678998 1272546516 /nfs/dbraw/zinc/54/65/16/1272546516.db2.gz BNBSDZONKYFVJK-WKILWMFISA-N 2 0 326.444 2.849 20 30 EFEDRP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005638716 1272650738 /nfs/dbraw/zinc/65/07/38/1272650738.db2.gz CEZXILLESFEEQJ-IBGZPJMESA-N 2 0 335.536 2.996 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034703603 1272666170 /nfs/dbraw/zinc/66/61/70/1272666170.db2.gz DCEBHDAHLTTXHK-SHTZXODSSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)C1 ZINC001169125930 1272680823 /nfs/dbraw/zinc/68/08/23/1272680823.db2.gz NXIPIUMYHFEOTJ-XFKSJGNHSA-N 2 0 347.503 2.722 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169133000 1272692681 /nfs/dbraw/zinc/69/26/81/1272692681.db2.gz BDMZKVOBGSISLG-DOADOZAASA-N 2 0 331.504 2.645 20 30 EFEDRP CC[NH+]1CCC(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169233855 1272748541 /nfs/dbraw/zinc/74/85/41/1272748541.db2.gz WXDMMVQPZAWZDE-UHFFFAOYSA-N 2 0 326.488 2.619 20 30 EFEDRP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273137304 1272971827 /nfs/dbraw/zinc/97/18/27/1272971827.db2.gz QPYDWBJUEIMDNX-SFHVURJKSA-N 2 0 347.547 2.903 20 30 EFEDRP CN(C)/C=[NH+]/c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1C#N ZINC001169710531 1273112571 /nfs/dbraw/zinc/11/25/71/1273112571.db2.gz LBHGVLDFJPDVHH-YDZHTSKRSA-N 2 0 332.411 2.620 20 30 EFEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001108733881 1273421843 /nfs/dbraw/zinc/42/18/43/1273421843.db2.gz JJBXRXZNQOXNNB-NSHGMRRFSA-N 2 0 345.531 2.633 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001108720389 1273422249 /nfs/dbraw/zinc/42/22/49/1273422249.db2.gz MNIRHPVURZOKCZ-SZMVWBNQSA-N 2 0 338.455 2.883 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001108738813 1273429769 /nfs/dbraw/zinc/42/97/69/1273429769.db2.gz IRJXEOGVIXQVLG-KSZLIROESA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001108775501 1273464817 /nfs/dbraw/zinc/46/48/17/1273464817.db2.gz AVFWCJVENTUJLZ-IHPCNDPISA-N 2 0 341.499 2.907 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765384 1273469386 /nfs/dbraw/zinc/46/93/86/1273469386.db2.gz PHURPINZTCRUML-BZSNNMDCSA-N 2 0 333.520 2.654 20 30 EFEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108796260 1273488379 /nfs/dbraw/zinc/48/83/79/1273488379.db2.gz IOULONBZVOUSMT-UFYCRDLUSA-N 2 0 347.547 2.881 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001108796261 1273488411 /nfs/dbraw/zinc/48/84/11/1273488411.db2.gz IOULONBZVOUSMT-ZCNNSNEGSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821349 1273528569 /nfs/dbraw/zinc/52/85/69/1273528569.db2.gz IHPBRWBXQHKPHL-FHWLQOOXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)CC2 ZINC001035184401 1273751699 /nfs/dbraw/zinc/75/16/99/1273751699.db2.gz JPEGALGBACNQMY-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035197384 1273762222 /nfs/dbraw/zinc/76/22/22/1273762222.db2.gz WAUJOOQAJLQVEZ-INIZCTEOSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001035188065 1273794859 /nfs/dbraw/zinc/79/48/59/1273794859.db2.gz QBFOUWWSSSTESI-RBUKOAKNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CCC)CC2 ZINC001035190625 1273800109 /nfs/dbraw/zinc/80/01/09/1273800109.db2.gz GJPFTSRNYYVRCO-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035193409 1273811838 /nfs/dbraw/zinc/81/18/38/1273811838.db2.gz BMWIHGCHCVYCDN-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC2 ZINC001035193863 1273814148 /nfs/dbraw/zinc/81/41/48/1273814148.db2.gz RATAKMUZTQLZEH-IBGZPJMESA-N 2 0 345.531 2.894 20 30 EFEDRP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233992 1273886926 /nfs/dbraw/zinc/88/69/26/1273886926.db2.gz RLONJEQMAUJAQQ-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403599 1274247035 /nfs/dbraw/zinc/24/70/35/1274247035.db2.gz OUBQKTOOORBZPO-SQNIBIBYSA-N 2 0 333.520 2.939 20 30 EFEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C2 ZINC001109433595 1274269508 /nfs/dbraw/zinc/26/95/08/1274269508.db2.gz UNAQTOQYJGFIKX-VSZNYVQBSA-N 2 0 330.476 2.768 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442959 1274282970 /nfs/dbraw/zinc/28/29/70/1274282970.db2.gz OSGOKESKPJOMEL-RDGPPVDQSA-N 2 0 345.531 2.939 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472040 1274322476 /nfs/dbraw/zinc/32/24/76/1274322476.db2.gz UDIPPQYQHYWTBG-SQNIBIBYSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035706437 1274386661 /nfs/dbraw/zinc/38/66/61/1274386661.db2.gz LLZPDGNZTWFUQP-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590182 1274453656 /nfs/dbraw/zinc/45/36/56/1274453656.db2.gz VZJNFLCPLITJFA-MHORFTMASA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035767966 1274454251 /nfs/dbraw/zinc/45/42/51/1274454251.db2.gz YJIJEZRIOIWOJU-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650247 1274517079 /nfs/dbraw/zinc/51/70/79/1274517079.db2.gz ZTOLOMRUPBCLOJ-SQNIBIBYSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810713 1274541102 /nfs/dbraw/zinc/54/11/02/1274541102.db2.gz QBXJLIDLGLEMCI-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035810450 1274541268 /nfs/dbraw/zinc/54/12/68/1274541268.db2.gz LSQPZYMSMVUELY-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035838455 1274576631 /nfs/dbraw/zinc/57/66/31/1274576631.db2.gz YUPTWNVAUOKUAJ-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001036028851 1274902090 /nfs/dbraw/zinc/90/20/90/1274902090.db2.gz GIGHWBPJIYKEOY-ZBFHGGJFSA-N 2 0 341.927 2.830 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001036048714 1274968207 /nfs/dbraw/zinc/96/82/07/1274968207.db2.gz NMVCHKJEUMYHOL-GDBMZVCRSA-N 2 0 335.517 2.826 20 30 EFEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001112547760 1275113996 /nfs/dbraw/zinc/11/39/96/1275113996.db2.gz OBEKYAQGYHTEIQ-ZJOUEHCJSA-N 2 0 347.547 2.594 20 30 EFEDRP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001112567337 1275218202 /nfs/dbraw/zinc/21/82/02/1275218202.db2.gz JHVUBVILFKKJCN-ICSRJNTNSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CCC)C2 ZINC001112568107 1275221801 /nfs/dbraw/zinc/22/18/01/1275221801.db2.gz YENXBUGOWHHZRY-HBFSDRIKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001036242371 1275276340 /nfs/dbraw/zinc/27/63/40/1275276340.db2.gz VFVMMSKHCAPFCG-WMLDXEAASA-N 2 0 341.927 2.686 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001036256713 1275309652 /nfs/dbraw/zinc/30/96/52/1275309652.db2.gz NCIVVQJVOUOYST-LPHOPBHVSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001112585424 1275321252 /nfs/dbraw/zinc/32/12/52/1275321252.db2.gz XIUQKPMJPKGQOP-RXVVDRJESA-N 2 0 341.499 2.766 20 30 EFEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135991772 1276281043 /nfs/dbraw/zinc/28/10/43/1276281043.db2.gz JNROAYXBMHUTRW-MOPGFXCFSA-N 2 0 343.515 2.643 20 30 EFEDRP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165765 1276311857 /nfs/dbraw/zinc/31/18/57/1276311857.db2.gz NNGSTFSLJZCBED-IBGZPJMESA-N 2 0 341.540 2.506 20 30 EFEDRP C=CC[C@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccncc1 ZINC000817893894 1276363680 /nfs/dbraw/zinc/36/36/80/1276363680.db2.gz HHVHRXNAPCGWNF-RDJZCZTQSA-N 2 0 331.460 2.610 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OC ZINC000817918616 1276376077 /nfs/dbraw/zinc/37/60/77/1276376077.db2.gz LMBKVPDUWIHBRN-OIISXLGYSA-N 2 0 331.460 2.854 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000817918638 1276376459 /nfs/dbraw/zinc/37/64/59/1276376459.db2.gz LUZNELBQFNRJDS-BBWFWOEESA-N 2 0 331.460 2.983 20 30 EFEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OC ZINC000817918618 1276376529 /nfs/dbraw/zinc/37/65/29/1276376529.db2.gz LMBKVPDUWIHBRN-USXIJHARSA-N 2 0 331.460 2.854 20 30 EFEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001170896669 1276502187 /nfs/dbraw/zinc/50/21/87/1276502187.db2.gz ZARQCBUUHIJLSJ-MAUKXSAKSA-N 2 0 347.507 2.631 20 30 EFEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001170896615 1276502395 /nfs/dbraw/zinc/50/23/95/1276502395.db2.gz YEJBIOCIMBJZNC-QAPCUYQASA-N 2 0 347.507 2.631 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001113053223 1276686763 /nfs/dbraw/zinc/68/67/63/1276686763.db2.gz BBEKRPQZKHSXJW-OAHLLOKOSA-N 2 0 326.444 2.755 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001113053222 1276687385 /nfs/dbraw/zinc/68/73/85/1276687385.db2.gz BBEKRPQZKHSXJW-HNNXBMFYSA-N 2 0 326.444 2.755 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001174881173 1287234724 /nfs/dbraw/zinc/23/47/24/1287234724.db2.gz ISWVEFUYXBVRLE-HKUYNNGSSA-N 2 0 333.520 2.681 20 30 EFEDRP C=CCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001005988964 1277307697 /nfs/dbraw/zinc/30/76/97/1277307697.db2.gz ZBQHIKTWEXSRST-IBGZPJMESA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001113345712 1277632783 /nfs/dbraw/zinc/63/27/83/1277632783.db2.gz CTJYJFFFELEKHT-LPHOPBHVSA-N 2 0 339.499 2.698 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001113391504 1277734171 /nfs/dbraw/zinc/73/41/71/1277734171.db2.gz HBRKBDIMWOLPEW-UHFFFAOYSA-N 2 0 332.492 2.897 20 30 EFEDRP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086591458 1277825884 /nfs/dbraw/zinc/82/58/84/1277825884.db2.gz MRJALYQDJKTIHW-XUVXKRRUSA-N 2 0 341.499 2.631 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113520307 1277993028 /nfs/dbraw/zinc/99/30/28/1277993028.db2.gz WSBSNDKAPVLJDK-QGZVFWFLSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001113536651 1278018768 /nfs/dbraw/zinc/01/87/68/1278018768.db2.gz YECAOLAAIPVLFW-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP CC[NH+](CC)CCNC(=[NH2+])NC1CCC(C#N)(c2ccccc2)CC1 ZINC001170376522 1279075576 /nfs/dbraw/zinc/07/55/76/1279075576.db2.gz NRAONCWUAAVJAF-UHFFFAOYSA-N 2 0 341.503 2.846 20 30 EFEDRP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609424 1279180815 /nfs/dbraw/zinc/18/08/15/1279180815.db2.gz FXHXWALUGUDBMT-YSIASYRMSA-N 2 0 341.499 2.631 20 30 EFEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001171199253 1279832190 /nfs/dbraw/zinc/83/21/90/1279832190.db2.gz XBYXCLQPSFAMQQ-KRWDZBQOSA-N 2 0 334.467 2.920 20 30 EFEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001175262699 1287384126 /nfs/dbraw/zinc/38/41/26/1287384126.db2.gz KDJVJQQXKBRTPF-GOSISDBHSA-N 2 0 343.515 2.692 20 30 EFEDRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001175316434 1287399440 /nfs/dbraw/zinc/39/94/40/1287399440.db2.gz JLAWGLZBXSDUHT-ICSRJNTNSA-N 2 0 343.515 2.643 20 30 EFEDRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001175317555 1287400084 /nfs/dbraw/zinc/40/00/84/1287400084.db2.gz PNADWIWKQZOTBQ-APWZRJJASA-N 2 0 344.503 2.663 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959314 1287420049 /nfs/dbraw/zinc/42/00/49/1287420049.db2.gz NOUKBUXIWZQTSH-KGLIPLIRSA-N 2 0 347.850 2.506 20 30 EFEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001134959690 1287421368 /nfs/dbraw/zinc/42/13/68/1287421368.db2.gz RABROEPLHYGHHB-CVEARBPZSA-N 2 0 341.459 2.720 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001091376139 1280450379 /nfs/dbraw/zinc/45/03/79/1280450379.db2.gz MUZMJGISFIEHPS-UHFFFAOYSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398241 1280915098 /nfs/dbraw/zinc/91/50/98/1280915098.db2.gz MZEFPKHMINGYDQ-JKSUJKDBSA-N 2 0 329.916 2.878 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608697 1280951170 /nfs/dbraw/zinc/95/11/70/1280951170.db2.gz ASCHSNMHQOSFMI-IRXDYDNUSA-N 2 0 347.547 2.641 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC001146624966 1280956939 /nfs/dbraw/zinc/95/69/39/1280956939.db2.gz SPIOBWJKABEIIO-CABCVRRESA-N 2 0 337.895 2.987 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171308347 1281193677 /nfs/dbraw/zinc/19/36/77/1281193677.db2.gz RBUKQCCTAPLJSG-MSOLQXFVSA-N 2 0 335.536 2.785 20 30 EFEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001170783760 1287480142 /nfs/dbraw/zinc/48/01/42/1287480142.db2.gz GQBCRQZPYYLVKF-ROUUACIJSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147582689 1281212124 /nfs/dbraw/zinc/21/21/24/1281212124.db2.gz CIQFFAMYSSABOG-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001147582965 1281212363 /nfs/dbraw/zinc/21/23/63/1281212363.db2.gz KDVMSOQAARXTAP-OKZBNKHCSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147716589 1281244088 /nfs/dbraw/zinc/24/40/88/1281244088.db2.gz ITLMBAOISIVFGJ-GOSISDBHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001147717574 1281244713 /nfs/dbraw/zinc/24/47/13/1281244713.db2.gz ZSDSDIFPUBVKNL-OALUTQOASA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725025 1281247603 /nfs/dbraw/zinc/24/76/03/1281247603.db2.gz QLCQSFJCHQPWRF-GOSISDBHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001147774528 1281257996 /nfs/dbraw/zinc/25/79/96/1281257996.db2.gz XNHGXJBZIKCUAZ-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001147774559 1281258473 /nfs/dbraw/zinc/25/84/73/1281258473.db2.gz XNHGXJBZIKCUAZ-ZWKOTPCHSA-N 2 0 331.504 2.504 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175564517 1287485891 /nfs/dbraw/zinc/48/58/91/1287485891.db2.gz CFWWWWJIMZWFGH-OAHLLOKOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147852049 1281303403 /nfs/dbraw/zinc/30/34/03/1281303403.db2.gz SYALKCHKTBXDBX-INIZCTEOSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672157 1281378411 /nfs/dbraw/zinc/37/84/11/1281378411.db2.gz JJVZXAZWRJSQSD-NQIIRXRSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147991626 1281393650 /nfs/dbraw/zinc/39/36/50/1281393650.db2.gz CSIDHKXNZTZUPC-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205333 1281449197 /nfs/dbraw/zinc/44/91/97/1281449197.db2.gz FYWLDHCJUPXTBL-UHFFFAOYSA-N 2 0 335.536 2.833 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292510 1281496489 /nfs/dbraw/zinc/49/64/89/1281496489.db2.gz ITPCFUSVQJWRBT-ZWKOTPCHSA-N 2 0 335.536 2.689 20 30 EFEDRP CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292507 1281497168 /nfs/dbraw/zinc/49/71/68/1281497168.db2.gz ITPCFUSVQJWRBT-MSOLQXFVSA-N 2 0 335.536 2.689 20 30 EFEDRP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001148418187 1281551556 /nfs/dbraw/zinc/55/15/56/1281551556.db2.gz DFJDOULXYQCZHY-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001148480468 1281570187 /nfs/dbraw/zinc/57/01/87/1281570187.db2.gz DBLBGYMROYQVKY-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001148520012 1281581451 /nfs/dbraw/zinc/58/14/51/1281581451.db2.gz QEEQDKNWVKDNHP-SFHVURJKSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148604531 1281646715 /nfs/dbraw/zinc/64/67/15/1281646715.db2.gz IAXUVDHWDBNOKU-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001148605747 1281648712 /nfs/dbraw/zinc/64/87/12/1281648712.db2.gz TZTTYPBGXNTMCN-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001148605748 1281649308 /nfs/dbraw/zinc/64/93/08/1281649308.db2.gz TZTTYPBGXNTMCN-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625850 1281695229 /nfs/dbraw/zinc/69/52/29/1281695229.db2.gz MJVLBDROVWPXOY-UHFFFAOYSA-N 2 0 335.536 2.999 20 30 EFEDRP C=CCCC[N@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001148827643 1281757262 /nfs/dbraw/zinc/75/72/62/1281757262.db2.gz IKFNGZXDHPAJRU-UHFFFAOYSA-N 2 0 341.499 2.862 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001086886675 1281893090 /nfs/dbraw/zinc/89/30/90/1281893090.db2.gz PMBOGTXQYKCAFK-JKSUJKDBSA-N 2 0 333.476 2.796 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927496 1281924929 /nfs/dbraw/zinc/92/49/29/1281924929.db2.gz DKVHQOYJTXLQSO-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923376 1281935708 /nfs/dbraw/zinc/93/57/08/1281935708.db2.gz QJOONJIWBMDYJJ-MJGOQNOKSA-N 2 0 345.531 2.607 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926766 1281948216 /nfs/dbraw/zinc/94/82/16/1281948216.db2.gz JIGHEFKHFSJRHH-MOPGFXCFSA-N 2 0 345.531 2.586 20 30 EFEDRP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926768 1281948325 /nfs/dbraw/zinc/94/83/25/1281948325.db2.gz JIGHEFKHFSJRHH-RBUKOAKNSA-N 2 0 345.531 2.586 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001086927302 1281949373 /nfs/dbraw/zinc/94/93/73/1281949373.db2.gz YJWNCFNDJYSBPT-KRWDZBQOSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939720 1281966768 /nfs/dbraw/zinc/96/67/68/1281966768.db2.gz YDUMYGXAMNNUTD-KSZLIROESA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941103 1281968628 /nfs/dbraw/zinc/96/86/28/1281968628.db2.gz JBMWHOFXHFAOSJ-KRWDZBQOSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001086941104 1281968771 /nfs/dbraw/zinc/96/87/71/1281968771.db2.gz JBMWHOFXHFAOSJ-QGZVFWFLSA-N 2 0 333.520 2.607 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928049 1281990174 /nfs/dbraw/zinc/99/01/74/1281990174.db2.gz UOIJZLNLDYAKSA-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001086932150 1282003135 /nfs/dbraw/zinc/00/31/35/1282003135.db2.gz BOIKWFLVTRXVQO-INIZCTEOSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086955969 1282025465 /nfs/dbraw/zinc/02/54/65/1282025465.db2.gz ARRDTTPPESDQIW-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071243 1282368617 /nfs/dbraw/zinc/36/86/17/1282368617.db2.gz MUHGWXGJIWRZFX-SBHAEUEKSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671773 1282934369 /nfs/dbraw/zinc/93/43/69/1282934369.db2.gz PAOZXHKDFCUAGS-CEXWTWQISA-N 2 0 335.536 2.615 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001132173346 1283086834 /nfs/dbraw/zinc/08/68/34/1283086834.db2.gz LEWVCGYGMSWENB-RDJZCZTQSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056983 1283191304 /nfs/dbraw/zinc/19/13/04/1283191304.db2.gz ZAURFGFIRFHIHP-RDTXWAMCSA-N 2 0 349.906 2.798 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754290 1283419721 /nfs/dbraw/zinc/41/97/21/1283419721.db2.gz DIOPFNDXHCWDCI-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036754515 1283421425 /nfs/dbraw/zinc/42/14/25/1283421425.db2.gz HLXXQRWVHHNOLA-AEFFLSMTSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759321 1283462619 /nfs/dbraw/zinc/46/26/19/1283462619.db2.gz JWTCEYQZTDKFFE-ROUUACIJSA-N 2 0 331.504 2.504 20 30 EFEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176025121 1287660475 /nfs/dbraw/zinc/66/04/75/1287660475.db2.gz YEHFHDDHZLAKBU-IBGZPJMESA-N 2 0 343.515 2.645 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793721 1283724864 /nfs/dbraw/zinc/72/48/64/1283724864.db2.gz KKYNRRVTLHWVAR-HZPDHXFCSA-N 2 0 339.911 2.536 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519519 1283781013 /nfs/dbraw/zinc/78/10/13/1283781013.db2.gz ZYRIGRWNDJBUKQ-UYAOXDASSA-N 2 0 347.547 2.881 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001093369532 1283800070 /nfs/dbraw/zinc/80/00/70/1283800070.db2.gz BSZWWZQTPRIAFB-FQEVSTJZSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093371990 1283808112 /nfs/dbraw/zinc/80/81/12/1283808112.db2.gz XSOKUDBIYAYKFH-QRQLOZEOSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001093377037 1283828542 /nfs/dbraw/zinc/82/85/42/1283828542.db2.gz FOEJCJRRVYREGX-FXAWDEMLSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820873 1284059990 /nfs/dbraw/zinc/05/99/90/1284059990.db2.gz QDJDZZHRORZVBT-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)CC[C@H]21 ZINC001036841625 1284238691 /nfs/dbraw/zinc/23/86/91/1284238691.db2.gz AVSKIRFOAJDVNO-VQTJNVASSA-N 2 0 341.499 2.861 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132870130 1284404809 /nfs/dbraw/zinc/40/48/09/1284404809.db2.gz QLVQEJWMSWEPDV-WBVHZDCISA-N 2 0 347.528 2.521 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132932335 1284485220 /nfs/dbraw/zinc/48/52/20/1284485220.db2.gz ILMGWWOLIZGYJO-ZWKOTPCHSA-N 2 0 344.503 2.558 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132938318 1284491142 /nfs/dbraw/zinc/49/11/42/1284491142.db2.gz TYPADQPTLHFMJG-NVXWUHKLSA-N 2 0 340.471 2.907 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132938731 1284492328 /nfs/dbraw/zinc/49/23/28/1284492328.db2.gz YKKAMCQRJTZZSO-WBVHZDCISA-N 2 0 340.471 2.907 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001133015098 1284623342 /nfs/dbraw/zinc/62/33/42/1284623342.db2.gz AIJMWLVFIVMDPN-MOPGFXCFSA-N 2 0 347.547 2.596 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC[C@@H]1C ZINC001133016668 1284626438 /nfs/dbraw/zinc/62/64/38/1284626438.db2.gz PAPXGFSVJKPCRH-PKOBYXMFSA-N 2 0 343.515 2.665 20 30 EFEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001133017051 1284627367 /nfs/dbraw/zinc/62/73/67/1284627367.db2.gz SMPUZGKUKMUZSR-ROUUACIJSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001133011150 1284652045 /nfs/dbraw/zinc/65/20/45/1284652045.db2.gz GRNFMAPMPIBIRK-ZWKOTPCHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133038892 1284663158 /nfs/dbraw/zinc/66/31/58/1284663158.db2.gz HMMPLENEOIQZHC-GOEBONIOSA-N 2 0 341.927 2.688 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001133031769 1284686800 /nfs/dbraw/zinc/68/68/00/1284686800.db2.gz SUTOGJZTYIABLS-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091762 1284780466 /nfs/dbraw/zinc/78/04/66/1284780466.db2.gz VIXXUNHSBLKJCB-ZWKOTPCHSA-N 2 0 325.541 2.983 20 30 EFEDRP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176156366 1287739710 /nfs/dbraw/zinc/73/97/10/1287739710.db2.gz IKCZBMLLVMZJOR-SFHVURJKSA-N 2 0 341.540 2.576 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117354 1284822839 /nfs/dbraw/zinc/82/28/39/1284822839.db2.gz JPGZBSZZJACEED-GDBMZVCRSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117357 1284823711 /nfs/dbraw/zinc/82/37/11/1284823711.db2.gz JPGZBSZZJACEED-ZBFHGGJFSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133194932 1284972731 /nfs/dbraw/zinc/97/27/31/1284972731.db2.gz NEMNJMLTFCMRQO-DOTOQJQBSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001133196178 1284973800 /nfs/dbraw/zinc/97/38/00/1284973800.db2.gz TXZYGVWGZREOBS-OALUTQOASA-N 2 0 335.536 2.759 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001133213425 1285001020 /nfs/dbraw/zinc/00/10/20/1285001020.db2.gz MXUAHVHSMAPEBP-HKUYNNGSSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419905 1285050116 /nfs/dbraw/zinc/05/01/16/1285050116.db2.gz IMUJGCIWTMJVDY-SOAMZJECSA-N 2 0 333.520 2.654 20 30 EFEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133237244 1285062084 /nfs/dbraw/zinc/06/20/84/1285062084.db2.gz AANZVFHTGKHXSC-WOJBJXKFSA-N 2 0 349.563 2.986 20 30 EFEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001133237418 1285062185 /nfs/dbraw/zinc/06/21/85/1285062185.db2.gz CSOLVCMRVXVTLY-UXHICEINSA-N 2 0 349.563 2.986 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3sccc3C[NH+](C)C)CCC[C@@H]12 ZINC001094427520 1285066078 /nfs/dbraw/zinc/06/60/78/1285066078.db2.gz TXEJNVZGKJVHRG-VQIMIIECSA-N 2 0 347.528 2.970 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC001094433104 1285076649 /nfs/dbraw/zinc/07/66/49/1285076649.db2.gz QOFOPUQWDVXCOY-QWFCFKBJSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001133262883 1285079050 /nfs/dbraw/zinc/07/90/50/1285079050.db2.gz NCTWGLPXIHOGHA-GDBMZVCRSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133256068 1285095968 /nfs/dbraw/zinc/09/59/68/1285095968.db2.gz ZQDAHSHZINZPHG-HOCLYGCPSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458203 1285130902 /nfs/dbraw/zinc/13/09/02/1285130902.db2.gz JPZWOJLFRLHJBL-IEBWSBKVSA-N 2 0 331.504 2.552 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458547 1285132052 /nfs/dbraw/zinc/13/20/52/1285132052.db2.gz NOVNQWAYLMMTOW-IEBWSBKVSA-N 2 0 331.504 2.552 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094458604 1285132404 /nfs/dbraw/zinc/13/24/04/1285132404.db2.gz QDQJBMLKOLKZLP-UYAOXDASSA-N 2 0 345.531 2.942 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3occc3C[NH+](C)C)CCC[C@@H]12 ZINC001094498565 1285160623 /nfs/dbraw/zinc/16/06/23/1285160623.db2.gz MICNIGZNCZPEKF-YLJYHZDGSA-N 2 0 345.487 2.892 20 30 EFEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001133337441 1285215197 /nfs/dbraw/zinc/21/51/97/1285215197.db2.gz NRPVLUMZGXGQSY-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133337234 1285215839 /nfs/dbraw/zinc/21/58/39/1285215839.db2.gz KNMAYDXLHWDUFL-MOPGFXCFSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001133338773 1285218401 /nfs/dbraw/zinc/21/84/01/1285218401.db2.gz YRDJDPIIUHVJQC-WBVHZDCISA-N 2 0 341.927 2.689 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001133355162 1285250590 /nfs/dbraw/zinc/25/05/90/1285250590.db2.gz VVLWFBFQONAEQF-IAGOWNOFSA-N 2 0 347.503 2.995 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001133392590 1285334692 /nfs/dbraw/zinc/33/46/92/1285334692.db2.gz DUWHOTAWPRMQOE-QGZVFWFLSA-N 2 0 335.879 2.538 20 30 EFEDRP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133403925 1285355851 /nfs/dbraw/zinc/35/58/51/1285355851.db2.gz PRXLZNYQCHJERC-UHFFFAOYSA-N 2 0 337.895 2.786 20 30 EFEDRP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001133403830 1285356349 /nfs/dbraw/zinc/35/63/49/1285356349.db2.gz LLYLISYJSPKAGK-UHFFFAOYSA-N 2 0 349.906 2.786 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3CCCC)CCC[C@@H]12 ZINC001094556582 1285368743 /nfs/dbraw/zinc/36/87/43/1285368743.db2.gz ZHKQAWKWSVJGBY-SFHLNBCPSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001133410457 1285372672 /nfs/dbraw/zinc/37/26/72/1285372672.db2.gz GUQULKIHOYJGAU-QGZVFWFLSA-N 2 0 349.906 2.786 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904110 1285390834 /nfs/dbraw/zinc/39/08/34/1285390834.db2.gz MQXHLORBNZFBRD-SJORKVTESA-N 2 0 339.911 2.538 20 30 EFEDRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001171498928 1285584748 /nfs/dbraw/zinc/58/47/48/1285584748.db2.gz DAWGZDOROIZGCW-VQIMIIECSA-N 2 0 344.503 2.663 20 30 EFEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001171772824 1285779276 /nfs/dbraw/zinc/77/92/76/1285779276.db2.gz WXWFZQMUAKCDIL-MRXNPFEDSA-N 2 0 341.459 2.722 20 30 EFEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001232304268 1312669797 /nfs/dbraw/zinc/66/97/97/1312669797.db2.gz XPPRPAHEXGRVON-UHFFFAOYSA-N 2 0 343.515 2.625 20 30 EFEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001171918214 1285903384 /nfs/dbraw/zinc/90/33/84/1285903384.db2.gz MSTVLKWPJGLBNG-SFHVURJKSA-N 2 0 335.536 2.929 20 30 EFEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001171923282 1285923608 /nfs/dbraw/zinc/92/36/08/1285923608.db2.gz FOCRJXFXLNSAMW-QGZVFWFLSA-N 2 0 331.504 2.855 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172109538 1286023324 /nfs/dbraw/zinc/02/33/24/1286023324.db2.gz HKBKYEPXLRVIAF-NNZMDNLPSA-N 2 0 335.492 2.626 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001179134618 1289052754 /nfs/dbraw/zinc/05/27/54/1289052754.db2.gz PKIYMCQVSSOTJE-UHFFFAOYSA-N 2 0 343.515 2.694 20 30 EFEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001094950939 1286280426 /nfs/dbraw/zinc/28/04/26/1286280426.db2.gz WNPPUXCPKJOPBP-BQFCYCMXSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001095030278 1286432954 /nfs/dbraw/zinc/43/29/54/1286432954.db2.gz IYDRPDVZBYPWOB-WDSOQIARSA-N 2 0 333.520 2.652 20 30 EFEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001203256291 1286761135 /nfs/dbraw/zinc/76/11/35/1286761135.db2.gz HIBVAWITESHHTC-IRXDYDNUSA-N 2 0 333.520 2.844 20 30 EFEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001135372812 1287978963 /nfs/dbraw/zinc/97/89/63/1287978963.db2.gz STEXOKIRLSNYND-HZPDHXFCSA-N 2 0 349.906 2.516 20 30 EFEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001135373895 1287979846 /nfs/dbraw/zinc/97/98/46/1287979846.db2.gz ZJLLTFGCDDNFTC-HZPDHXFCSA-N 2 0 349.906 2.516 20 30 EFEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176736842 1288087992 /nfs/dbraw/zinc/08/79/92/1288087992.db2.gz FTEFEFPWTUPMOU-KRWDZBQOSA-N 2 0 329.488 2.650 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001176738351 1288088835 /nfs/dbraw/zinc/08/88/35/1288088835.db2.gz QTAOSQSXSXNUKJ-RBUKOAKNSA-N 2 0 347.547 2.951 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCCC[NH2+][C@H](C)CCC=C)CC1 ZINC001176738353 1288089039 /nfs/dbraw/zinc/08/90/39/1288089039.db2.gz QTAOSQSXSXNUKJ-RTBURBONSA-N 2 0 347.547 2.951 20 30 EFEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176754822 1288120518 /nfs/dbraw/zinc/12/05/18/1288120518.db2.gz ZDFDWFZCZYINHT-MOPGFXCFSA-N 2 0 335.536 2.785 20 30 EFEDRP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760166 1288123025 /nfs/dbraw/zinc/12/30/25/1288123025.db2.gz QWRXDZQTWDYJOD-HOTGVXAUSA-N 2 0 329.916 2.878 20 30 EFEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001177319521 1288387314 /nfs/dbraw/zinc/38/73/14/1288387314.db2.gz NTXPEZVZGPGNFA-IBGZPJMESA-N 2 0 333.520 2.513 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165727567 1312671461 /nfs/dbraw/zinc/67/14/61/1312671461.db2.gz DMNFUBXMHHOPOY-ZWKOTPCHSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001177348160 1288413273 /nfs/dbraw/zinc/41/32/73/1288413273.db2.gz AVAYUGUFZITVED-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001177415701 1288423559 /nfs/dbraw/zinc/42/35/59/1288423559.db2.gz IQNSKJNEOWLBTJ-MJGOQNOKSA-N 2 0 335.536 2.759 20 30 EFEDRP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001177415547 1288423825 /nfs/dbraw/zinc/42/38/25/1288423825.db2.gz BWOOHZQGBPBXFQ-GOSISDBHSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001177416018 1288424796 /nfs/dbraw/zinc/42/47/96/1288424796.db2.gz REORCMBZRCVVSO-SFHVURJKSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC ZINC000817156904 1288445260 /nfs/dbraw/zinc/44/52/60/1288445260.db2.gz CSXYRBUXKGNPTG-IBGZPJMESA-N 2 0 331.504 2.866 20 30 EFEDRP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CCCC[NH+](C)C ZINC001135966193 1288689686 /nfs/dbraw/zinc/68/96/86/1288689686.db2.gz KLUPKNPZPWMHFA-IAGOWNOFSA-N 2 0 344.503 2.663 20 30 EFEDRP C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CCCC[NH+](C)C ZINC001135960638 1288701337 /nfs/dbraw/zinc/70/13/37/1288701337.db2.gz FQEDLLNLUBNVCL-RTBURBONSA-N 2 0 343.515 2.643 20 30 EFEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814742 1288944863 /nfs/dbraw/zinc/94/48/63/1288944863.db2.gz VXQGFAZWMKQTAC-KSZLIROESA-N 2 0 341.515 2.992 20 30 EFEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001179538878 1289182272 /nfs/dbraw/zinc/18/22/72/1289182272.db2.gz JSTJGFAYRFVXDY-LPHOPBHVSA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539384 1289183815 /nfs/dbraw/zinc/18/38/15/1289183815.db2.gz WOPJSBPHIQMKNS-TXPKVOOTSA-N 2 0 339.499 2.744 20 30 EFEDRP CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001179609273 1289197851 /nfs/dbraw/zinc/19/78/51/1289197851.db2.gz LUXUVBUGAXZLBW-IBGZPJMESA-N 2 0 344.503 2.665 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001165879361 1312696469 /nfs/dbraw/zinc/69/64/69/1312696469.db2.gz UWFUNEMMTYGNSH-UHFFFAOYSA-N 2 0 344.503 2.750 20 30 EFEDRP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001180035875 1289391400 /nfs/dbraw/zinc/39/14/00/1289391400.db2.gz YAJGTRFQXUXRCL-IBGZPJMESA-N 2 0 335.536 2.931 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC2CCCC2)CC1 ZINC001180360274 1289494924 /nfs/dbraw/zinc/49/49/24/1289494924.db2.gz BFIIBRGNHNTWFO-UHFFFAOYSA-N 2 0 347.547 2.788 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@H](C)CC)CC1 ZINC001180360659 1289495250 /nfs/dbraw/zinc/49/52/50/1289495250.db2.gz LWLMMAJIXKHVHD-GOSISDBHSA-N 2 0 335.536 2.644 20 30 EFEDRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001180369448 1289516642 /nfs/dbraw/zinc/51/66/42/1289516642.db2.gz GNGJFXYYHAJCLU-UHFFFAOYSA-N 2 0 344.503 2.665 20 30 EFEDRP C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001165992780 1312715108 /nfs/dbraw/zinc/71/51/08/1312715108.db2.gz HNCBFNCUEBFQJU-UHFFFAOYSA-N 2 0 332.835 2.577 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001181885151 1289990513 /nfs/dbraw/zinc/99/05/13/1289990513.db2.gz QCUIKGSRICBCGQ-UYAOXDASSA-N 2 0 347.547 2.903 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001182169116 1290100247 /nfs/dbraw/zinc/10/02/47/1290100247.db2.gz GLQGUVUWZPIALJ-SLYNCCJLSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623561 1290227382 /nfs/dbraw/zinc/22/73/82/1290227382.db2.gz QDTWGMAGMWWDQI-RDTXWAMCSA-N 2 0 341.927 2.545 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001182978652 1290289178 /nfs/dbraw/zinc/28/91/78/1290289178.db2.gz VFTAKNUIHZUPCM-CRAIPNDOSA-N 2 0 341.927 2.545 20 30 EFEDRP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001183517120 1290353560 /nfs/dbraw/zinc/35/35/60/1290353560.db2.gz QCLMLDOSBABZJU-WSTZPKSXSA-N 2 0 335.536 2.757 20 30 EFEDRP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001183516889 1290354117 /nfs/dbraw/zinc/35/41/17/1290354117.db2.gz DDZHDJHPGWDTDA-QWFCFKBJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001183510272 1290357936 /nfs/dbraw/zinc/35/79/36/1290357936.db2.gz RUIWAZOVGAEMPA-UYAOXDASSA-N 2 0 335.536 2.903 20 30 EFEDRP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001184651056 1290487618 /nfs/dbraw/zinc/48/76/18/1290487618.db2.gz BWOWQCIZLRUAEF-RTBURBONSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001184652124 1290488690 /nfs/dbraw/zinc/48/86/90/1290488690.db2.gz KVGLFGCCCLDDCL-ZWKOTPCHSA-N 2 0 333.520 2.513 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184700389 1290495843 /nfs/dbraw/zinc/49/58/43/1290495843.db2.gz CYKDOYAIJZMGAN-ZBFHGGJFSA-N 2 0 326.444 2.517 20 30 EFEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001184700386 1290495896 /nfs/dbraw/zinc/49/58/96/1290495896.db2.gz CYKDOYAIJZMGAN-GDBMZVCRSA-N 2 0 326.444 2.517 20 30 EFEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001184683276 1290499259 /nfs/dbraw/zinc/49/92/59/1290499259.db2.gz HFGUTACCTOIIMX-ZWKOTPCHSA-N 2 0 347.547 2.737 20 30 EFEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184892547 1290538982 /nfs/dbraw/zinc/53/89/82/1290538982.db2.gz QKCDTWHNOIURNE-OALUTQOASA-N 2 0 347.547 2.739 20 30 EFEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001184892913 1290539018 /nfs/dbraw/zinc/53/90/18/1290539018.db2.gz SDIQPUVRQFBYDU-ROUUACIJSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001184892112 1290539407 /nfs/dbraw/zinc/53/94/07/1290539407.db2.gz NCFZECPDRPXKCX-MSOLQXFVSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001185517846 1290697972 /nfs/dbraw/zinc/69/79/72/1290697972.db2.gz UFBUZRAMLMVSCS-ZBFHGGJFSA-N 2 0 329.916 2.545 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001185676337 1290748799 /nfs/dbraw/zinc/74/87/99/1290748799.db2.gz VNCJFCWQIXJJON-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001185709433 1290749406 /nfs/dbraw/zinc/74/94/06/1290749406.db2.gz HGHXVLYXDPXBPK-RTBURBONSA-N 2 0 335.536 2.903 20 30 EFEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001185709431 1290749678 /nfs/dbraw/zinc/74/96/78/1290749678.db2.gz HGHXVLYXDPXBPK-OALUTQOASA-N 2 0 335.536 2.903 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCCC)[C@H](C)C2)CC1 ZINC001185728267 1290753087 /nfs/dbraw/zinc/75/30/87/1290753087.db2.gz DJPFEGOJFOFOHA-QUCCMNQESA-N 2 0 347.547 2.596 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166687789 1312820648 /nfs/dbraw/zinc/82/06/48/1312820648.db2.gz ZXKQSTPGDWHWSO-CRAIPNDOSA-N 2 0 327.488 2.650 20 30 EFEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000876736965 1290994610 /nfs/dbraw/zinc/99/46/10/1290994610.db2.gz YNKGRGYYXZIECI-DLBZAZTESA-N 2 0 335.879 2.627 20 30 EFEDRP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)CC1 ZINC001186597344 1290994827 /nfs/dbraw/zinc/99/48/27/1290994827.db2.gz HKQIVGRSWGSEAS-SFHVURJKSA-N 2 0 347.547 2.691 20 30 EFEDRP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186604199 1290998211 /nfs/dbraw/zinc/99/82/11/1290998211.db2.gz AJWZJTCIXZPDGX-IBGZPJMESA-N 2 0 347.547 2.692 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001166736946 1312832196 /nfs/dbraw/zinc/83/21/96/1312832196.db2.gz WYQBIRDMLALTMH-KRWDZBQOSA-N 2 0 331.504 2.855 20 30 EFEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877031244 1291111188 /nfs/dbraw/zinc/11/11/88/1291111188.db2.gz SFQSYMQJWJRZPK-HLLBOEOZSA-N 2 0 333.863 2.599 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944615 1291270101 /nfs/dbraw/zinc/27/01/01/1291270101.db2.gz KTJKXWQEPOAGOX-SLFFLAALSA-N 2 0 347.547 2.831 20 30 EFEDRP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971638 1291277372 /nfs/dbraw/zinc/27/73/72/1291277372.db2.gz UVLAONQIHPIOTQ-VNTMZGSJSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205136 1291340537 /nfs/dbraw/zinc/34/05/37/1291340537.db2.gz DYKNXOOMFPNDPZ-GBESFXJTSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205137 1291340948 /nfs/dbraw/zinc/34/09/48/1291340948.db2.gz DYKNXOOMFPNDPZ-IPMKNSEASA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001166841992 1312851839 /nfs/dbraw/zinc/85/18/39/1312851839.db2.gz GRJVEMYYXJIELW-BZSNNMDCSA-N 2 0 335.536 2.948 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188569050 1291411409 /nfs/dbraw/zinc/41/14/09/1291411409.db2.gz YLDVNHOOYGGXQE-JTDSTZFVSA-N 2 0 338.455 2.835 20 30 EFEDRP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188895041 1291512563 /nfs/dbraw/zinc/51/25/63/1291512563.db2.gz FJWPAYJKFXJDBS-GBESFXJTSA-N 2 0 333.520 2.607 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126695 1291589892 /nfs/dbraw/zinc/58/98/92/1291589892.db2.gz LACBGJFYZRVODV-CEXWTWQISA-N 2 0 335.536 2.831 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)CC1 ZINC000957573415 1291785542 /nfs/dbraw/zinc/78/55/42/1291785542.db2.gz XEXHHYFVMHSQAR-IBGZPJMESA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001277779986 1312882373 /nfs/dbraw/zinc/88/23/73/1312882373.db2.gz YAORPCMNNMFPML-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)c3occc3C[NH+](C)C)CC2)CC1 ZINC000957591948 1291826009 /nfs/dbraw/zinc/82/60/09/1291826009.db2.gz DCNJNYHXJUENFL-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)CC1 ZINC000957592088 1291827524 /nfs/dbraw/zinc/82/75/24/1291827524.db2.gz KMMFVTQALNLZPE-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957633870 1291930241 /nfs/dbraw/zinc/93/02/41/1291930241.db2.gz RXXKLBMGDVCUCU-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957635999 1291934749 /nfs/dbraw/zinc/93/47/49/1291934749.db2.gz RUSNTGDNELRDBM-GOSISDBHSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)CC1 ZINC000957647442 1291959695 /nfs/dbraw/zinc/95/96/95/1291959695.db2.gz IHBISQKLNJRSHE-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001016652521 1312905088 /nfs/dbraw/zinc/90/50/88/1312905088.db2.gz SUQUXACUIBFBQB-JKSUJKDBSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C12CCC2 ZINC001203312633 1312905730 /nfs/dbraw/zinc/90/57/30/1312905730.db2.gz SXUQGLQOFLEZQY-CVEARBPZSA-N 2 0 331.460 2.548 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001016655103 1312907121 /nfs/dbraw/zinc/90/71/21/1312907121.db2.gz MTZFJHRVQDRWBV-MOPGFXCFSA-N 2 0 347.547 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)cnc2c1 ZINC001049478502 1312907171 /nfs/dbraw/zinc/90/71/71/1312907171.db2.gz PBIIZTWSGNABFU-QZTJIDSGSA-N 2 0 338.455 2.898 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190480576 1292177388 /nfs/dbraw/zinc/17/73/88/1292177388.db2.gz CYFUGVYZCXOWDG-OKZBNKHCSA-N 2 0 330.476 2.551 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001049479897 1312909381 /nfs/dbraw/zinc/90/93/81/1312909381.db2.gz CNMXWQRLEXXNIH-RDGPPVDQSA-N 2 0 333.520 2.748 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663373 1312911793 /nfs/dbraw/zinc/91/17/93/1312911793.db2.gz QGCRKQKQIWVPOH-MOPGFXCFSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001016663979 1312912200 /nfs/dbraw/zinc/91/22/00/1312912200.db2.gz WSCUJZWVWUEPHZ-OALUTQOASA-N 2 0 345.531 2.940 20 30 EFEDRP C=CCCC[NH2+]C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001203287946 1292273143 /nfs/dbraw/zinc/27/31/43/1292273143.db2.gz LCCLZZQVJKHSHP-UHFFFAOYSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203428327 1312922701 /nfs/dbraw/zinc/92/27/01/1312922701.db2.gz XXVGGYHKVAJPGE-IAGOWNOFSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001016696756 1312931799 /nfs/dbraw/zinc/93/17/99/1312931799.db2.gz AKDXTJMDFVQMEV-GOSISDBHSA-N 2 0 338.455 2.803 20 30 EFEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203507578 1312941526 /nfs/dbraw/zinc/94/15/26/1312941526.db2.gz SXUMLPMDHGBMNM-ROUUACIJSA-N 2 0 333.520 2.539 20 30 EFEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C12CCC2 ZINC001203508571 1312942200 /nfs/dbraw/zinc/94/22/00/1312942200.db2.gz ZDYGIRCZLNVWAB-QZTJIDSGSA-N 2 0 333.520 2.539 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001049509452 1312942663 /nfs/dbraw/zinc/94/26/63/1312942663.db2.gz USRBHFZCERUZCY-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947264 1292724350 /nfs/dbraw/zinc/72/43/50/1292724350.db2.gz HSNDFTUASKQPLQ-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001049514524 1312950196 /nfs/dbraw/zinc/95/01/96/1312950196.db2.gz GRVAGJZQJMYKBS-IPMKNSEASA-N 2 0 333.520 2.606 20 30 EFEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095903901 1292923813 /nfs/dbraw/zinc/92/38/13/1292923813.db2.gz QQIVBPHFNYJCHK-YDZRNGNQSA-N 2 0 331.504 2.691 20 30 EFEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193384015 1293283785 /nfs/dbraw/zinc/28/37/85/1293283785.db2.gz ZNZIWGQGTFYMPO-LJQANCHMSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399043 1293288192 /nfs/dbraw/zinc/28/81/92/1293288192.db2.gz LLKQJOXENVLRNW-CTNGQTDRSA-N 2 0 343.515 2.962 20 30 EFEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193399046 1293288227 /nfs/dbraw/zinc/28/82/27/1293288227.db2.gz LLKQJOXENVLRNW-TZIWHRDSSA-N 2 0 343.515 2.962 20 30 EFEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408894 1293296307 /nfs/dbraw/zinc/29/63/07/1293296307.db2.gz RWEDVTOAQUTDMR-PZJWPPBQSA-N 2 0 343.515 2.962 20 30 EFEDRP N#Cc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001203757597 1313008156 /nfs/dbraw/zinc/00/81/56/1313008156.db2.gz PFKYUZXTPISDMO-UHFFFAOYSA-N 2 0 327.472 2.883 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H](C)CC(C)C)C2)CC1 ZINC001194247584 1293569761 /nfs/dbraw/zinc/56/97/61/1293569761.db2.gz XZZKGBOFHYPQCE-UYAOXDASSA-N 2 0 347.547 2.547 20 30 EFEDRP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C12CCC2 ZINC001203771800 1313011367 /nfs/dbraw/zinc/01/13/67/1313011367.db2.gz PAUFHFSZMNOUGV-MOPGFXCFSA-N 2 0 341.499 2.955 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773330 1313011382 /nfs/dbraw/zinc/01/13/82/1313011382.db2.gz VPZXYKJDLIWZHP-RBUKOAKNSA-N 2 0 345.531 2.539 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773885 1313012282 /nfs/dbraw/zinc/01/22/82/1313012282.db2.gz WWJGHLRLOLBFOH-QZTJIDSGSA-N 2 0 333.520 2.846 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203773882 1313012320 /nfs/dbraw/zinc/01/23/20/1313012320.db2.gz WWJGHLRLOLBFOH-MSOLQXFVSA-N 2 0 333.520 2.846 20 30 EFEDRP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001016862002 1313015312 /nfs/dbraw/zinc/01/53/12/1313015312.db2.gz RLOWQKUMUXIXOY-ZWKOTPCHSA-N 2 0 333.520 2.796 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049560250 1313018473 /nfs/dbraw/zinc/01/84/73/1313018473.db2.gz CAKQICOJXNLXSM-MOPGFXCFSA-N 2 0 338.455 2.898 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001016876077 1313022278 /nfs/dbraw/zinc/02/22/78/1313022278.db2.gz DJWHPRAVMKTGGD-LJQANCHMSA-N 2 0 341.499 2.909 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563882 1313024085 /nfs/dbraw/zinc/02/40/85/1313024085.db2.gz IJVWQIOZFKVZIP-ZWKOTPCHSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049563879 1313024186 /nfs/dbraw/zinc/02/41/86/1313024186.db2.gz IJVWQIOZFKVZIP-MSOLQXFVSA-N 2 0 333.520 2.891 20 30 EFEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C12CCC2 ZINC001203823008 1313024700 /nfs/dbraw/zinc/02/47/00/1313024700.db2.gz DLPWYIVSKWTZDS-ROUUACIJSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565659 1313025885 /nfs/dbraw/zinc/02/58/85/1313025885.db2.gz VYFIPJDJLCJZGL-MOPGFXCFSA-N 2 0 345.531 2.728 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569547 1313031243 /nfs/dbraw/zinc/03/12/43/1313031243.db2.gz ZDSLRQVFZXDQJF-ZWKOTPCHSA-N 2 0 331.504 2.646 20 30 EFEDRP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922476 1313043952 /nfs/dbraw/zinc/04/39/52/1313043952.db2.gz DIKIUFWZQYWOCS-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016922804 1313044147 /nfs/dbraw/zinc/04/41/47/1313044147.db2.gz GTHPZZIQDRQFFW-OALUTQOASA-N 2 0 345.531 2.635 20 30 EFEDRP CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001203903471 1313044654 /nfs/dbraw/zinc/04/46/54/1313044654.db2.gz VJTRYIGWXMLYQN-FQEVSTJZSA-N 2 0 327.472 2.881 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196155641 1294152730 /nfs/dbraw/zinc/15/27/30/1294152730.db2.gz PYJBKSKCZGNMQO-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196162827 1294153796 /nfs/dbraw/zinc/15/37/96/1294153796.db2.gz BBHNBEJNVKNICQ-IBGZPJMESA-N 2 0 333.520 2.894 20 30 EFEDRP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001016982908 1313071047 /nfs/dbraw/zinc/07/10/47/1313071047.db2.gz NHHSYPFHMFGOTJ-IBGZPJMESA-N 2 0 341.499 2.909 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001197158551 1294471147 /nfs/dbraw/zinc/47/11/47/1294471147.db2.gz RXIGIQISJQXNNV-UHFFFAOYSA-N 2 0 343.515 2.905 20 30 EFEDRP C=CCCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448343 1294541705 /nfs/dbraw/zinc/54/17/05/1294541705.db2.gz VXKANZHRUJKVGO-UHFFFAOYSA-N 2 0 329.488 2.862 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](Nc1ccccc1)C(C)C ZINC000303774866 1294577481 /nfs/dbraw/zinc/57/74/81/1294577481.db2.gz GGPLLHQVDBPJGE-QZTJIDSGSA-N 2 0 331.508 2.512 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000303774865 1294577786 /nfs/dbraw/zinc/57/77/86/1294577786.db2.gz GGPLLHQVDBPJGE-MSOLQXFVSA-N 2 0 331.508 2.512 20 30 EFEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303774990 1294578557 /nfs/dbraw/zinc/57/85/57/1294578557.db2.gz GLOVHMYVJQKKHL-SFHVURJKSA-N 2 0 346.519 2.895 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000303785479 1294581244 /nfs/dbraw/zinc/58/12/44/1294581244.db2.gz QMHRNOATTWJAQR-AWEZNQCLSA-N 2 0 328.382 2.594 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000303864955 1294591701 /nfs/dbraw/zinc/59/17/01/1294591701.db2.gz BKGHRNIAMPFPOX-KRWDZBQOSA-N 2 0 332.492 2.610 20 30 EFEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CC[NH+](CC)CC2)cc1 ZINC000303874794 1294593169 /nfs/dbraw/zinc/59/31/69/1294593169.db2.gz DBSSXLWKNNCWDW-MRXNPFEDSA-N 2 0 331.508 2.564 20 30 EFEDRP C[N@@H+]1CCCN(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000303872533 1294593368 /nfs/dbraw/zinc/59/33/68/1294593368.db2.gz GKIIXTAZSTXLPZ-UHFFFAOYSA-N 2 0 343.519 2.578 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000303884145 1294597766 /nfs/dbraw/zinc/59/77/66/1294597766.db2.gz MRAXINQRMCXDCQ-HNNXBMFYSA-N 2 0 343.302 2.925 20 30 EFEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000303890815 1294598540 /nfs/dbraw/zinc/59/85/40/1294598540.db2.gz QEPWQGBTUPNEPS-AWEZNQCLSA-N 2 0 334.464 2.551 20 30 EFEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000303904211 1294601293 /nfs/dbraw/zinc/60/12/93/1294601293.db2.gz UVLLLSYQGVAWJR-AWEZNQCLSA-N 2 0 346.475 2.695 20 30 EFEDRP CCCCOc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000303902337 1294601413 /nfs/dbraw/zinc/60/14/13/1294601413.db2.gz TVVYQJINEIAGTJ-SFHVURJKSA-N 2 0 346.519 2.797 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345431 1313109638 /nfs/dbraw/zinc/10/96/38/1313109638.db2.gz IIVPOFBIDVWMPL-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258960 1294960657 /nfs/dbraw/zinc/96/06/57/1294960657.db2.gz HCUNQHUFCVPKTJ-RTBURBONSA-N 2 0 335.536 2.996 20 30 EFEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198617642 1295144573 /nfs/dbraw/zinc/14/45/73/1295144573.db2.gz PRLMEBJQTUSACJ-QZTJIDSGSA-N 2 0 345.487 2.503 20 30 EFEDRP C=CCC1(O)CC[NH+](CC[C@@H](C)[NH+]2CCC(O)(CC=C)CC2)CC1 ZINC000886774502 1295145522 /nfs/dbraw/zinc/14/55/22/1295145522.db2.gz OSUWYEYDJNQXTF-GOSISDBHSA-N 2 0 336.520 2.571 20 30 EFEDRP CCOCC[NH+]1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277859402 1313137965 /nfs/dbraw/zinc/13/79/65/1313137965.db2.gz YJYBSJIOCQAQAW-UHFFFAOYSA-N 2 0 344.503 2.611 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccccc1OC ZINC001198903220 1295306639 /nfs/dbraw/zinc/30/66/39/1295306639.db2.gz XMCPRTBDMDYWQO-FUHWJXTLSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccccc1OC ZINC001198903221 1295307051 /nfs/dbraw/zinc/30/70/51/1295307051.db2.gz XMCPRTBDMDYWQO-SJLPKXTDSA-N 2 0 345.487 2.503 20 30 EFEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1OC ZINC001198993270 1295388709 /nfs/dbraw/zinc/38/87/09/1295388709.db2.gz MDLXIGFEYAPAAQ-GOSISDBHSA-N 2 0 347.503 2.749 20 30 EFEDRP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001049665268 1313157689 /nfs/dbraw/zinc/15/76/89/1313157689.db2.gz UUDOPLCWCVZLIV-GBESFXJTSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642114 1313175558 /nfs/dbraw/zinc/17/55/58/1313175558.db2.gz HFWIIYJYXLOVPR-MSOLQXFVSA-N 2 0 341.515 2.945 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000104181368 1295733274 /nfs/dbraw/zinc/73/32/74/1295733274.db2.gz NIYDDEDBPPKFQJ-CQSZACIVSA-N 2 0 334.464 2.551 20 30 EFEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000304739478 1295746906 /nfs/dbraw/zinc/74/69/06/1295746906.db2.gz BGCAGPCNCIWJNA-HNNXBMFYSA-N 2 0 347.894 2.752 20 30 EFEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000304746120 1295748711 /nfs/dbraw/zinc/74/87/11/1295748711.db2.gz FNUVKIOLASVOTQ-LLVKDONJSA-N 2 0 330.354 2.654 20 30 EFEDRP CCC(CC)(CNC(=[NH2+])N[C@@H](C)COC)[NH2+][C@H](C)c1ccccc1 ZINC000304752212 1295748923 /nfs/dbraw/zinc/74/89/23/1295748923.db2.gz KALKXOLCFGIWNF-JKSUJKDBSA-N 2 0 334.508 2.835 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC(C)C)cc1 ZINC000304755675 1295750906 /nfs/dbraw/zinc/75/09/06/1295750906.db2.gz NAEIWABKAMROPI-GOSISDBHSA-N 2 0 346.519 2.653 20 30 EFEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000304756547 1295751339 /nfs/dbraw/zinc/75/13/39/1295751339.db2.gz NTLQHBAHNRYBDT-UHFFFAOYSA-N 2 0 334.464 2.552 20 30 EFEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC001204848553 1313202741 /nfs/dbraw/zinc/20/27/41/1313202741.db2.gz NGSUGTCHYXHPDG-GOSISDBHSA-N 2 0 349.519 2.877 20 30 EFEDRP C=CCN1CC[C@]2(CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC2)C1=O ZINC001274271008 1296049786 /nfs/dbraw/zinc/04/97/86/1296049786.db2.gz YUSPBYQCXSLRII-HXUWFJFHSA-N 2 0 338.455 2.954 20 30 EFEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001274492903 1296096731 /nfs/dbraw/zinc/09/67/31/1296096731.db2.gz WNRGMBRQNFUZCU-RTBURBONSA-N 2 0 345.462 2.639 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)C1 ZINC001205000892 1313219524 /nfs/dbraw/zinc/21/95/24/1313219524.db2.gz MKNIBPLAKLFVQN-IEBWSBKVSA-N 2 0 335.492 2.629 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717935 1313219316 /nfs/dbraw/zinc/21/93/16/1313219316.db2.gz HQKJUKSDZGIJBY-VQTJNVASSA-N 2 0 341.499 2.656 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959916119 1296234135 /nfs/dbraw/zinc/23/41/35/1296234135.db2.gz UPECXQIDFMUZIS-LMCOJAPRSA-N 2 0 345.531 2.654 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283413 1313264245 /nfs/dbraw/zinc/26/42/45/1313264245.db2.gz BKHIBTJWEWNOPY-RBUKOAKNSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001205283410 1313264399 /nfs/dbraw/zinc/26/43/99/1313264399.db2.gz BKHIBTJWEWNOPY-MOPGFXCFSA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307191 1313267277 /nfs/dbraw/zinc/26/72/77/1313267277.db2.gz UABJDORGXYPPJL-RBUKOAKNSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205416773 1313284499 /nfs/dbraw/zinc/28/44/99/1313284499.db2.gz CKETWGSHMNSYAD-IPMKNSEASA-N 2 0 347.478 2.626 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000960263354 1296668483 /nfs/dbraw/zinc/66/84/83/1296668483.db2.gz VHPLEXKZFUGKRG-VAMGGRTRSA-N 2 0 341.499 2.807 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960267352 1296673947 /nfs/dbraw/zinc/67/39/47/1296673947.db2.gz BKMBOFAEVALNHB-MTQWCTHYSA-N 2 0 341.499 2.665 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960272572 1296683553 /nfs/dbraw/zinc/68/35/53/1296683553.db2.gz DZOHYGMSBWYGKQ-VAMGGRTRSA-N 2 0 341.499 2.809 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458845 1313293015 /nfs/dbraw/zinc/29/30/15/1313293015.db2.gz YBDLUPQOEZIPHU-RBUKOAKNSA-N 2 0 347.478 2.626 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000960314667 1296732296 /nfs/dbraw/zinc/73/22/96/1296732296.db2.gz MYZIIBBHKDQXBQ-TZIWHRDSSA-N 2 0 341.499 2.666 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001205519727 1313304215 /nfs/dbraw/zinc/30/42/15/1313304215.db2.gz CEJZJWJVKRTVBO-UHFFFAOYSA-N 2 0 333.520 2.657 20 30 EFEDRP C=CCC[NH2+]CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001205590859 1313319418 /nfs/dbraw/zinc/31/94/18/1313319418.db2.gz VYGUERGYOZHGDL-UHFFFAOYSA-N 2 0 326.444 2.661 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001205593549 1313319544 /nfs/dbraw/zinc/31/95/44/1313319544.db2.gz BJJYZRAXAHPOFG-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001205616285 1313323295 /nfs/dbraw/zinc/32/32/95/1313323295.db2.gz AFSJYIHTIIVLNG-QGZVFWFLSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCCN(C[C@H]([NH3+])Cc1ccccc1)C2 ZINC001235466102 1313330004 /nfs/dbraw/zinc/33/00/04/1313330004.db2.gz IQKJTDQQDSWUQB-CTNGQTDRSA-N 2 0 341.499 2.590 20 30 EFEDRP C[NH+]1CCN(c2cc(Nc3cc(F)c(C#N)cc3F)cc[nH+]2)CC1 ZINC001201666402 1297011196 /nfs/dbraw/zinc/01/11/96/1297011196.db2.gz QFJPHTBBPDDEHD-UHFFFAOYSA-N 2 0 329.354 2.727 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1ccccc1F ZINC001205663971 1313333364 /nfs/dbraw/zinc/33/33/64/1313333364.db2.gz JFNGAOPAORTPFQ-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1F ZINC001205668597 1313334526 /nfs/dbraw/zinc/33/45/26/1313334526.db2.gz GXYVDXFUOZXEAW-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP N#CCCCC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001277948332 1313334591 /nfs/dbraw/zinc/33/45/91/1313334591.db2.gz HLHRDIJYQKYBJU-UHFFFAOYSA-N 2 0 329.492 2.755 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1ccccc1F ZINC001205674632 1313335582 /nfs/dbraw/zinc/33/55/82/1313335582.db2.gz XELJQHJYTYFHRH-PKOBYXMFSA-N 2 0 347.478 2.628 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685973 1313337742 /nfs/dbraw/zinc/33/77/42/1313337742.db2.gz LTNXPBHARSHXQW-PKOBYXMFSA-N 2 0 347.478 2.626 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001235511763 1313339738 /nfs/dbraw/zinc/33/97/38/1313339738.db2.gz GUIVVIITDMPTPW-BRWVUGGUSA-N 2 0 330.476 2.792 20 30 EFEDRP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001235511765 1313340721 /nfs/dbraw/zinc/34/07/21/1313340721.db2.gz GUIVVIITDMPTPW-GVDBMIGSSA-N 2 0 330.476 2.792 20 30 EFEDRP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201809912 1297094559 /nfs/dbraw/zinc/09/45/59/1297094559.db2.gz RELOJUYUKIOROA-SFHVURJKSA-N 2 0 341.540 2.506 20 30 EFEDRP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835539 1313365426 /nfs/dbraw/zinc/36/54/26/1313365426.db2.gz JSHWHSSQRRRVKG-IPMKNSEASA-N 2 0 333.520 2.892 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837255 1313369284 /nfs/dbraw/zinc/36/92/84/1313369284.db2.gz AMGYVRYMKXOCMW-VQTJNVASSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049839185 1313370675 /nfs/dbraw/zinc/37/06/75/1313370675.db2.gz BVGCELJMDDDTHF-WOJBJXKFSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CCCC[NH2+]CC1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001206057371 1313398695 /nfs/dbraw/zinc/39/86/95/1313398695.db2.gz UHNZJTZRTRLJQV-UHFFFAOYSA-N 2 0 333.476 2.749 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001049868434 1313409633 /nfs/dbraw/zinc/40/96/33/1313409633.db2.gz TUKHCCNFCJEEOH-BJLQDIEVSA-N 2 0 331.504 2.504 20 30 EFEDRP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206282196 1313431415 /nfs/dbraw/zinc/43/14/15/1313431415.db2.gz RRUXWXWZDVWDDO-PKOBYXMFSA-N 2 0 337.552 2.983 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206287589 1313432000 /nfs/dbraw/zinc/43/20/00/1313432000.db2.gz FGKJHMJBUHRMRR-QGZVFWFLSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439782 1298008944 /nfs/dbraw/zinc/00/89/44/1298008944.db2.gz VMOSRRQCIHGWDB-PKOBYXMFSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439779 1298010122 /nfs/dbraw/zinc/01/01/22/1298010122.db2.gz VMOSRRQCIHGWDB-HKUYNNGSSA-N 2 0 333.520 2.892 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001206481344 1313461930 /nfs/dbraw/zinc/46/19/30/1313461930.db2.gz GFVZOGOTBRCHSE-INIZCTEOSA-N 2 0 341.927 2.832 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049907221 1313466278 /nfs/dbraw/zinc/46/62/78/1313466278.db2.gz BMYUDBISGYOSTM-RTBURBONSA-N 2 0 327.472 2.613 20 30 EFEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236321662 1313469444 /nfs/dbraw/zinc/46/94/44/1313469444.db2.gz VHSNXFAYEIEKBK-GASCZTMLSA-N 2 0 334.261 2.752 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914903 1313478008 /nfs/dbraw/zinc/47/80/08/1313478008.db2.gz SCIDXUPNNZZGEL-GUDVDZBRSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000961199445 1298304437 /nfs/dbraw/zinc/30/44/37/1298304437.db2.gz KJTIRDQKMQSPHZ-OALUTQOASA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000961242725 1298401242 /nfs/dbraw/zinc/40/12/42/1298401242.db2.gz VQZOAYKOVPKVPQ-DLBZAZTESA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000961252440 1298423588 /nfs/dbraw/zinc/42/35/88/1298423588.db2.gz OEBCNLSFENMROB-PMACEKPBSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000961268844 1298458088 /nfs/dbraw/zinc/45/80/88/1298458088.db2.gz GHKVMSGFRZIBAT-IRXDYDNUSA-N 2 0 342.487 2.508 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000961276838 1298474606 /nfs/dbraw/zinc/47/46/06/1298474606.db2.gz WPOAAIQHSMJXLN-VQTJNVASSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001206869160 1313530350 /nfs/dbraw/zinc/53/03/50/1313530350.db2.gz VQIDYKLAGZKIRO-IBGZPJMESA-N 2 0 329.488 2.694 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001206871441 1313531163 /nfs/dbraw/zinc/53/11/63/1313531163.db2.gz LNKIXWWUHIRTCD-OALUTQOASA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001206871395 1313531224 /nfs/dbraw/zinc/53/12/24/1313531224.db2.gz JZBDEZPEERANSF-DLBZAZTESA-N 2 0 341.927 2.688 20 30 EFEDRP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000961376242 1298644649 /nfs/dbraw/zinc/64/46/49/1298644649.db2.gz RFTVCZNRADCMJT-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000961377990 1298648803 /nfs/dbraw/zinc/64/88/03/1298648803.db2.gz JRGIOQDXIHODJI-WOJBJXKFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001206875940 1313533657 /nfs/dbraw/zinc/53/36/57/1313533657.db2.gz GJFJGBNQBCZVFK-UHFFFAOYSA-N 2 0 330.476 2.556 20 30 EFEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000083031476 1298681904 /nfs/dbraw/zinc/68/19/04/1298681904.db2.gz RUNICASWTCKRQJ-MSOLQXFVSA-N 2 0 344.503 2.925 20 30 EFEDRP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000961395514 1298684461 /nfs/dbraw/zinc/68/44/61/1298684461.db2.gz KLSIUYDNIXOWKG-YSIASYRMSA-N 2 0 347.547 2.853 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000961410263 1298704117 /nfs/dbraw/zinc/70/41/17/1298704117.db2.gz GETUKGRGCDMLRT-ICSRJNTNSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961410070 1298704226 /nfs/dbraw/zinc/70/42/26/1298704226.db2.gz FDFKALPDNAFSLR-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961410830 1298705654 /nfs/dbraw/zinc/70/56/54/1298705654.db2.gz JSUUZIVIBWVNPX-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000961412634 1298707949 /nfs/dbraw/zinc/70/79/49/1298707949.db2.gz UCPHZSAGVCOZFE-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000961424611 1298731825 /nfs/dbraw/zinc/73/18/25/1298731825.db2.gz VGTIWQNCQWGKBM-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961442460 1298754394 /nfs/dbraw/zinc/75/43/94/1298754394.db2.gz SWAGDEVFBUZFDJ-UXHICEINSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000961442464 1298754621 /nfs/dbraw/zinc/75/46/21/1298754621.db2.gz SWAGDEVFBUZFDJ-VQTJNVASSA-N 2 0 347.547 2.855 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCCC(C)C)CC2)CC1 ZINC001206949169 1313567019 /nfs/dbraw/zinc/56/70/19/1313567019.db2.gz SRTMHIRQYABCGE-UHFFFAOYSA-N 2 0 347.547 2.596 20 30 EFEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001206952276 1313568488 /nfs/dbraw/zinc/56/84/88/1313568488.db2.gz HSEBXQOMLKMADV-IBGZPJMESA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207262253 1313647751 /nfs/dbraw/zinc/64/77/51/1313647751.db2.gz GLEKADLKQLZGQH-FGTMMUONSA-N 2 0 341.515 2.849 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018027489 1313648303 /nfs/dbraw/zinc/64/83/03/1313648303.db2.gz VHOUCBKFWCFNMX-OTWHNJEPSA-N 2 0 333.520 2.891 20 30 EFEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110661000 1300008575 /nfs/dbraw/zinc/00/85/75/1300008575.db2.gz LAGFDUQHUKJKKQ-MKXGPGLRSA-N 2 0 333.520 2.937 20 30 EFEDRP C[NH+]1CCC(C2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)CC1 ZINC001237613299 1313676576 /nfs/dbraw/zinc/67/65/76/1313676576.db2.gz GBJUTODPZNDFKJ-UHFFFAOYSA-N 2 0 337.471 2.760 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313547 1300573820 /nfs/dbraw/zinc/57/38/20/1300573820.db2.gz GCUIHVRUMCYGAZ-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313531 1300574054 /nfs/dbraw/zinc/57/40/54/1300574054.db2.gz GCUIHVRUMCYGAZ-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000963315444 1300580176 /nfs/dbraw/zinc/58/01/76/1300580176.db2.gz STHOQAFSDMKFRH-HKUYNNGSSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327499 1300609477 /nfs/dbraw/zinc/60/94/77/1300609477.db2.gz CRBSDPPOWRAHKB-IEBWSBKVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000963327500 1300610633 /nfs/dbraw/zinc/61/06/33/1300610633.db2.gz CRBSDPPOWRAHKB-MJGOQNOKSA-N 2 0 338.455 2.837 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000963328323 1300612593 /nfs/dbraw/zinc/61/25/93/1300612593.db2.gz NUSCFFTXTSOLJZ-QZTJIDSGSA-N 2 0 331.504 2.504 20 30 EFEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000963332282 1300619178 /nfs/dbraw/zinc/61/91/78/1300619178.db2.gz XFUVDDIIWTVZIL-LMDPOFIKSA-N 2 0 345.531 2.633 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963344966 1300649748 /nfs/dbraw/zinc/64/97/48/1300649748.db2.gz BRWNZXAHMGRQSN-MOPGFXCFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000963358196 1300679845 /nfs/dbraw/zinc/67/98/45/1300679845.db2.gz PCWNOXWQOREOTR-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963358203 1300681436 /nfs/dbraw/zinc/68/14/36/1300681436.db2.gz PJMJBNAILBKPTD-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000963384212 1300741146 /nfs/dbraw/zinc/74/11/46/1300741146.db2.gz RRAMCYVQPSZKLS-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000963385208 1300743479 /nfs/dbraw/zinc/74/34/79/1300743479.db2.gz ALDLLKNNDQDNAS-JCYILVPMSA-N 2 0 341.927 2.973 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417608 1300809635 /nfs/dbraw/zinc/80/96/35/1300809635.db2.gz ORONCXKXYMVXPL-IAGOWNOFSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417607 1300809865 /nfs/dbraw/zinc/80/98/65/1300809865.db2.gz ORONCXKXYMVXPL-DLBZAZTESA-N 2 0 339.911 2.538 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963429617 1300837191 /nfs/dbraw/zinc/83/71/91/1300837191.db2.gz QHLSTGGQNLFIEE-RBUKOAKNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176917 1313728365 /nfs/dbraw/zinc/72/83/65/1313728365.db2.gz SMUGCUGJXSVPIH-HCXYKTFWSA-N 2 0 333.520 2.748 20 30 EFEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000963843355 1301368593 /nfs/dbraw/zinc/36/85/93/1301368593.db2.gz AFYQQHQVTRJHAK-UHFFFAOYSA-N 2 0 333.476 2.890 20 30 EFEDRP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC000964167218 1301684502 /nfs/dbraw/zinc/68/45/02/1301684502.db2.gz JWYSTEQACCOIHF-WZXTXQKWSA-N 2 0 333.520 2.700 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868153 1313793059 /nfs/dbraw/zinc/79/30/59/1313793059.db2.gz KHCVMKSFDDHTMZ-RVKKMQEKSA-N 2 0 326.444 2.739 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000964438681 1301836685 /nfs/dbraw/zinc/83/66/85/1301836685.db2.gz ZCATYNRYDLKGMS-OFLPRAFFSA-N 2 0 341.927 2.973 20 30 EFEDRP CCCC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001278224173 1313807376 /nfs/dbraw/zinc/80/73/76/1313807376.db2.gz MYSUIUGZRNZVOJ-UHFFFAOYSA-N 2 0 346.519 2.525 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001208050248 1313835180 /nfs/dbraw/zinc/83/51/80/1313835180.db2.gz WWFUGMFIOZGHCF-ZWKOTPCHSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1(C)CC[NH+](C)CC1)CCO2 ZINC001208106767 1313848029 /nfs/dbraw/zinc/84/80/29/1313848029.db2.gz KLTIJQVDKNZISY-UYAOXDASSA-N 2 0 336.520 2.792 20 30 EFEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108003 1313848972 /nfs/dbraw/zinc/84/89/72/1313848972.db2.gz ZLOUOGKVTUNJRX-HXUWFJFHSA-N 2 0 333.520 2.751 20 30 EFEDRP C[NH+](C)CC1(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CCCC1 ZINC001208186400 1313864510 /nfs/dbraw/zinc/86/45/10/1313864510.db2.gz QEBRWOGZXLSNKB-UHFFFAOYSA-N 2 0 341.503 2.587 20 30 EFEDRP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114618781 1303047399 /nfs/dbraw/zinc/04/73/99/1303047399.db2.gz KYTFOMLNSYZAFR-FUMNGEBKSA-N 2 0 347.547 2.878 20 30 EFEDRP C=CC[NH2+]C1CC2(CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000965453890 1303190634 /nfs/dbraw/zinc/19/06/34/1303190634.db2.gz UUTKGILIFGRLJL-UHFFFAOYSA-N 2 0 327.472 2.565 20 30 EFEDRP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000965933260 1303466787 /nfs/dbraw/zinc/46/67/87/1303466787.db2.gz WCZZEFPWEUZBAL-HVEGKCCWSA-N 2 0 339.911 2.630 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208410962 1313922534 /nfs/dbraw/zinc/92/25/34/1313922534.db2.gz JLEOFALCJNXVDJ-MSOLQXFVSA-N 2 0 333.520 2.798 20 30 EFEDRP CCCCCCCCOC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239318085 1313925065 /nfs/dbraw/zinc/92/50/65/1313925065.db2.gz KXHXQGGAIVPYAY-INIZCTEOSA-N 2 0 325.497 2.947 20 30 EFEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208497476 1313944035 /nfs/dbraw/zinc/94/40/35/1313944035.db2.gz BEGJZCCHQJTNTH-RDJZCZTQSA-N 2 0 326.444 2.883 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CC ZINC001037874921 1303980255 /nfs/dbraw/zinc/98/02/55/1303980255.db2.gz IVRLNCVCZJTWCJ-RHSMWYFYSA-N 2 0 346.862 2.917 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001037877908 1304055217 /nfs/dbraw/zinc/05/52/17/1304055217.db2.gz FHZFOQFPCSVFAU-CVEARBPZSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)C1 ZINC001208593294 1313970762 /nfs/dbraw/zinc/97/07/62/1313970762.db2.gz GQILKBAKVNJVRQ-FQEVSTJZSA-N 2 0 349.519 2.829 20 30 EFEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CC[NH+](CC)CC1)C2 ZINC001208596635 1313971985 /nfs/dbraw/zinc/97/19/85/1313971985.db2.gz WEOOKSNPCDJKLU-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208718793 1314001340 /nfs/dbraw/zinc/00/13/40/1314001340.db2.gz REPLQMJPKZXUMZ-LJQANCHMSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208719711 1314001792 /nfs/dbraw/zinc/00/17/92/1314001792.db2.gz WIQBFFIDLUQYHK-GOSISDBHSA-N 2 0 329.488 2.561 20 30 EFEDRP C[C@H](c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1)N1CC[NH2+]CC1 ZINC001240360560 1314025037 /nfs/dbraw/zinc/02/50/37/1314025037.db2.gz OWUUMUZOGMHNPY-MRXNPFEDSA-N 2 0 346.478 2.878 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967423706 1304975746 /nfs/dbraw/zinc/97/57/46/1304975746.db2.gz IOJGVIGLURGRBD-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C[NH+](C)CCCN(CCCc1ccc(C#N)cc1)CCC[NH+](C)C ZINC001208861985 1314032424 /nfs/dbraw/zinc/03/24/24/1314032424.db2.gz DJQQGOQRNWOEDV-UHFFFAOYSA-N 2 0 330.520 2.696 20 30 EFEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1CC ZINC001037960278 1305348470 /nfs/dbraw/zinc/34/84/70/1305348470.db2.gz OWSVHSGBQIWFIZ-RDJZCZTQSA-N 2 0 330.476 2.554 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416943 1306287131 /nfs/dbraw/zinc/28/71/31/1306287131.db2.gz BWDPWFTVRSTSMP-APWZRJJASA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968676660 1306559625 /nfs/dbraw/zinc/55/96/25/1306559625.db2.gz OIVRGSINFHNGMR-HZPDHXFCSA-N 2 0 339.911 2.584 20 30 EFEDRP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681097 1306563125 /nfs/dbraw/zinc/56/31/25/1306563125.db2.gz GRTNYVYBJUKNDI-QFBILLFUSA-N 2 0 329.488 2.765 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044680201 1306712424 /nfs/dbraw/zinc/71/24/24/1306712424.db2.gz DUDSXKXTGQSVRS-DZGCQCFKSA-N 2 0 332.835 2.670 20 30 EFEDRP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC000968876933 1306747823 /nfs/dbraw/zinc/74/78/23/1306747823.db2.gz KSQKBWPQZLRBPO-QGZVFWFLSA-N 2 0 347.528 2.807 20 30 EFEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001044741943 1306764811 /nfs/dbraw/zinc/76/48/11/1306764811.db2.gz DVRYZPSZSBAWEC-VQIMIIECSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925357 1306803192 /nfs/dbraw/zinc/80/31/92/1306803192.db2.gz AWUVNCBORLFVGZ-INIZCTEOSA-N 2 0 326.444 2.803 20 30 EFEDRP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955226 1306836795 /nfs/dbraw/zinc/83/67/95/1306836795.db2.gz PHBBGFMDJSKVMJ-KRWDZBQOSA-N 2 0 326.444 2.885 20 30 EFEDRP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000969059388 1306933272 /nfs/dbraw/zinc/93/32/72/1306933272.db2.gz LQOWQXMCEXHXAR-RBUKOAKNSA-N 2 0 333.520 2.633 20 30 EFEDRP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109043 1306985555 /nfs/dbraw/zinc/98/55/55/1306985555.db2.gz SSSSCONUCCFDMK-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001241899531 1314162418 /nfs/dbraw/zinc/16/24/18/1314162418.db2.gz HQPJMYZZAIJEFZ-HXUWFJFHSA-N 2 0 349.482 2.876 20 30 EFEDRP CC#CC[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001045651055 1307502902 /nfs/dbraw/zinc/50/29/02/1307502902.db2.gz ZEMXSOSHMHWPFM-UHFFFAOYSA-N 2 0 345.487 2.729 20 30 EFEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695081 1314199032 /nfs/dbraw/zinc/19/90/32/1314199032.db2.gz QQIVBPHFNYJCHK-YRXWBPOGSA-N 2 0 331.504 2.691 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008053509 1307788746 /nfs/dbraw/zinc/78/87/46/1307788746.db2.gz VGVYVLLQTOTYIG-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065301 1307793874 /nfs/dbraw/zinc/79/38/74/1307793874.db2.gz HYZINIJCTGVDKS-IBGZPJMESA-N 2 0 343.515 2.951 20 30 EFEDRP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938301 1307940242 /nfs/dbraw/zinc/94/02/42/1307940242.db2.gz XAZYSOOQMZINRP-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045938276 1307940338 /nfs/dbraw/zinc/94/03/38/1307940338.db2.gz WKENKYWGPDVBHW-ICSRJNTNSA-N 2 0 333.520 2.750 20 30 EFEDRP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943062 1307956392 /nfs/dbraw/zinc/95/63/92/1307956392.db2.gz FVNCWNCWQVERRN-FPOVZHCZSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045943893 1307958754 /nfs/dbraw/zinc/95/87/54/1307958754.db2.gz QVNYANRVSNOEJN-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001045943768 1307959760 /nfs/dbraw/zinc/95/97/60/1307959760.db2.gz OMPGSOWQNVEXPB-FQEVSTJZSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947582 1307970034 /nfs/dbraw/zinc/97/00/34/1307970034.db2.gz MTDJBBCKRRFJKU-QUCCMNQESA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001045950514 1307979051 /nfs/dbraw/zinc/97/90/51/1307979051.db2.gz DRMMVKOROXNABN-HXUWFJFHSA-N 2 0 338.455 2.839 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961262 1308008595 /nfs/dbraw/zinc/00/85/95/1308008595.db2.gz JYPIRWQAOQMLEQ-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961265 1308008929 /nfs/dbraw/zinc/00/89/29/1308008929.db2.gz KFEPRGHGCUBAMH-IRFCIJBXSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962715 1308012346 /nfs/dbraw/zinc/01/23/46/1308012346.db2.gz QTENFPGZUAXIOV-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001045965570 1308020389 /nfs/dbraw/zinc/02/03/89/1308020389.db2.gz JFJODCFGCBRCGH-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001045965953 1308020928 /nfs/dbraw/zinc/02/09/28/1308020928.db2.gz NMBLZEHAPQCCHA-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966034 1308021338 /nfs/dbraw/zinc/02/13/38/1308021338.db2.gz YDUZJHGHHOSHRA-QUCCMNQESA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045966035 1308021817 /nfs/dbraw/zinc/02/18/17/1308021817.db2.gz YDUZJHGHHOSHRA-UYAOXDASSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980234 1308066000 /nfs/dbraw/zinc/06/60/00/1308066000.db2.gz UZIGFXMMGRVHHY-FQEVSTJZSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045985350 1308083387 /nfs/dbraw/zinc/08/33/87/1308083387.db2.gz RYPMXCZTSWBDMV-QUCCMNQESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986370 1308086656 /nfs/dbraw/zinc/08/66/56/1308086656.db2.gz OMXNHMQIYYPZRM-HXUWFJFHSA-N 2 0 333.520 2.753 20 30 EFEDRP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001045986540 1308088306 /nfs/dbraw/zinc/08/83/06/1308088306.db2.gz TXPRVDAGQOUYDE-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008541519 1308144497 /nfs/dbraw/zinc/14/44/97/1308144497.db2.gz RIWQYPCRSPYJGN-FQEVSTJZSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001019279420 1314250956 /nfs/dbraw/zinc/25/09/56/1314250956.db2.gz AVMLNLRLLNEQFO-RDJZCZTQSA-N 2 0 339.911 2.727 20 30 EFEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1C#N ZINC001413200149 1308626133 /nfs/dbraw/zinc/62/61/33/1308626133.db2.gz CHTWEJXPJVJWMK-QGZVFWFLSA-N 2 0 332.467 2.545 20 30 EFEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096104448 1308771934 /nfs/dbraw/zinc/77/19/34/1308771934.db2.gz JOROIULMFNNFLY-XWSJACJDSA-N 2 0 333.520 2.937 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619691 1308940089 /nfs/dbraw/zinc/94/00/89/1308940089.db2.gz YPSPGXUAMKBXDB-FQEVSTJZSA-N 2 0 329.488 2.561 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001210133460 1314285529 /nfs/dbraw/zinc/28/55/29/1314285529.db2.gz RIOJPYBOIMRSFH-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001210174346 1314291556 /nfs/dbraw/zinc/29/15/56/1314291556.db2.gz DCKQJBJLBQPGOT-INIZCTEOSA-N 2 0 329.916 2.832 20 30 EFEDRP N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001210197193 1314294017 /nfs/dbraw/zinc/29/40/17/1314294017.db2.gz ZCNKDTYBFSOFOR-UHFFFAOYSA-N 2 0 346.478 2.522 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198754 1314294333 /nfs/dbraw/zinc/29/43/33/1314294333.db2.gz RKFWDCPVMLUWQZ-HOTGVXAUSA-N 2 0 329.916 2.686 20 30 EFEDRP C=CCOC(=O)c1ccccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267779 1314306199 /nfs/dbraw/zinc/30/61/99/1314306199.db2.gz OBGHMQRDVJQCOR-UHFFFAOYSA-N 2 0 338.411 2.578 20 30 EFEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001052701373 1314310700 /nfs/dbraw/zinc/31/07/00/1314310700.db2.gz FCLQZHFENHKVEX-LPHOPBHVSA-N 2 0 339.499 2.746 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864427 1309561295 /nfs/dbraw/zinc/56/12/95/1309561295.db2.gz SOXLFUIYZVRROA-LJQANCHMSA-N 2 0 333.476 2.892 20 30 EFEDRP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001046996815 1309886700 /nfs/dbraw/zinc/88/67/00/1309886700.db2.gz XQUPSRTXIRKSOW-JKSUJKDBSA-N 2 0 343.462 2.510 20 30 EFEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210593916 1314357676 /nfs/dbraw/zinc/35/76/76/1314357676.db2.gz HQTFPAQUIZGLAW-IBGZPJMESA-N 2 0 333.520 2.655 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052786955 1314373235 /nfs/dbraw/zinc/37/32/35/1314373235.db2.gz FNDOWGQULMVFBU-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241417 1310391554 /nfs/dbraw/zinc/39/15/54/1310391554.db2.gz POVPBVASCMLIQQ-UXHICEINSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241423 1310391634 /nfs/dbraw/zinc/39/16/34/1310391634.db2.gz POVPBVASCMLIQQ-WOJBJXKFSA-N 2 0 347.547 2.996 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001047245143 1310402869 /nfs/dbraw/zinc/40/28/69/1310402869.db2.gz XTSOWSCFQUZRJM-UXHICEINSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001047245252 1310403157 /nfs/dbraw/zinc/40/31/57/1310403157.db2.gz YBOAUTAZHWVZBU-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001047256064 1310429446 /nfs/dbraw/zinc/42/94/46/1310429446.db2.gz GATDAUIUIPCVES-QUCCMNQESA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001047256062 1310429489 /nfs/dbraw/zinc/42/94/89/1310429489.db2.gz GATDAUIUIPCVES-AZUAARDMSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001047256379 1310430514 /nfs/dbraw/zinc/43/05/14/1310430514.db2.gz JXLSHYCXLZGQEW-MOPGFXCFSA-N 2 0 335.536 2.853 20 30 EFEDRP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001047265374 1310458025 /nfs/dbraw/zinc/45/80/25/1310458025.db2.gz ZBQLHHSEOZOAIR-ICSRJNTNSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669328 1311010469 /nfs/dbraw/zinc/01/04/69/1311010469.db2.gz HKYJKRDJNOVQJK-RCCFBDPRSA-N 2 0 331.504 2.502 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001221761891 1311027633 /nfs/dbraw/zinc/02/76/33/1311027633.db2.gz HHXXXRMRKDRWRZ-CEXWTWQISA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876721 1311047295 /nfs/dbraw/zinc/04/72/95/1311047295.db2.gz PTSJDOPAVMJLQY-RTBURBONSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889922 1311049330 /nfs/dbraw/zinc/04/93/30/1311049330.db2.gz VMOAWDSCHCSVSB-GUDVDZBRSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001221933873 1311056937 /nfs/dbraw/zinc/05/69/37/1311056937.db2.gz RKGRSDQTJINYPD-WOJBJXKFSA-N 2 0 345.531 2.607 20 30 EFEDRP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258267 1311080161 /nfs/dbraw/zinc/08/01/61/1311080161.db2.gz PBULEYLOKLJKGG-SFHVURJKSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C1CCC1 ZINC001099490169 1311097440 /nfs/dbraw/zinc/09/74/40/1311097440.db2.gz QMTCGESUFOEAQA-RNQOJCNYSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001099491141 1311098007 /nfs/dbraw/zinc/09/80/07/1311098007.db2.gz YTSVOENSMPSAOP-VJANTYMQSA-N 2 0 345.531 2.606 20 30 EFEDRP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099526654 1311100660 /nfs/dbraw/zinc/10/06/60/1311100660.db2.gz AAFBRQIPCHMZDN-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CCC ZINC001099548201 1311101360 /nfs/dbraw/zinc/10/13/60/1311101360.db2.gz RLSCFPOKXMKQQN-HAGHYFMRSA-N 2 0 347.547 2.853 20 30 EFEDRP Cc1cc(C#N)ccc1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001276858677 1311212128 /nfs/dbraw/zinc/21/21/28/1311212128.db2.gz KXJWENHMUMMUJC-RTWAWAEBSA-N 2 0 340.515 2.953 20 30 EFEDRP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101240041 1311229444 /nfs/dbraw/zinc/22/94/44/1311229444.db2.gz OZCKQJKMDHTQPW-NQIIRXRSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203458 1311229927 /nfs/dbraw/zinc/22/99/27/1311229927.db2.gz YMVBOEVOZYDODW-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001223329578 1311244729 /nfs/dbraw/zinc/24/47/29/1311244729.db2.gz MEVZAPLCLAKMEO-AQNXPRMDSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3CN(C)C)C[C@@H]21 ZINC001223360912 1311250345 /nfs/dbraw/zinc/25/03/45/1311250345.db2.gz FWCMMUOJXRXOIF-AEFFLSMTSA-N 2 0 345.487 2.844 20 30 EFEDRP CCCCCCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312819 1311302942 /nfs/dbraw/zinc/30/29/42/1311302942.db2.gz PRHAQQMWLJOFOT-IEBWSBKVSA-N 2 0 337.552 2.983 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001223929521 1311322756 /nfs/dbraw/zinc/32/27/56/1311322756.db2.gz ZFARGANRLSXNPA-LJQANCHMSA-N 2 0 333.520 2.655 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495409 1311360428 /nfs/dbraw/zinc/36/04/28/1311360428.db2.gz BDBQDBZVDNGFNE-CEXWTWQISA-N 2 0 335.536 2.901 20 30 EFEDRP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001224306085 1311373201 /nfs/dbraw/zinc/37/32/01/1311373201.db2.gz AXNXJLPZFUSIJJ-MSOLQXFVSA-N 2 0 332.492 2.776 20 30 EFEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866161 1311405596 /nfs/dbraw/zinc/40/55/96/1311405596.db2.gz MKINQIVZLCHDES-RBUKOAKNSA-N 2 0 335.536 2.997 20 30 EFEDRP C#CCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980357 1311406126 /nfs/dbraw/zinc/40/61/26/1311406126.db2.gz WKGWPAVZVKWJCH-FPOVZHCZSA-N 2 0 347.547 2.692 20 30 EFEDRP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001224754194 1311431087 /nfs/dbraw/zinc/43/10/87/1311431087.db2.gz RZCFQOKFGVSENI-KRWDZBQOSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001224796266 1311436151 /nfs/dbraw/zinc/43/61/51/1311436151.db2.gz OSEDKSMEUAAJIH-RTBURBONSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001224797290 1311436548 /nfs/dbraw/zinc/43/65/48/1311436548.db2.gz WRJKGCVJJFJPOY-JKSUJKDBSA-N 2 0 332.492 2.771 20 30 EFEDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC001277007130 1311451374 /nfs/dbraw/zinc/45/13/74/1311451374.db2.gz LLGSPKZEAGDAIU-UHFFFAOYSA-N 2 0 344.478 2.547 20 30 EFEDRP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001224957302 1311455340 /nfs/dbraw/zinc/45/53/40/1311455340.db2.gz FVDAVGRVSFWMSJ-GOSISDBHSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001225143322 1311482068 /nfs/dbraw/zinc/48/20/68/1311482068.db2.gz XHKAEWWUMPYNQQ-IBGZPJMESA-N 2 0 329.488 2.694 20 30 EFEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001226267373 1311639486 /nfs/dbraw/zinc/63/94/86/1311639486.db2.gz HTRACTVLGNIEKN-MISYRCLQSA-N 2 0 345.531 2.681 20 30 EFEDRP Cc1cnc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C[NH3+])c1 ZINC001160107475 1311645256 /nfs/dbraw/zinc/64/52/56/1311645256.db2.gz QVUHURXBOOVXDI-UHFFFAOYSA-N 2 0 335.455 2.819 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001226766750 1311720217 /nfs/dbraw/zinc/72/02/17/1311720217.db2.gz PBPXYXFEMNPPDS-GUDVDZBRSA-N 2 0 335.536 2.948 20 30 EFEDRP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567894 1311739303 /nfs/dbraw/zinc/73/93/03/1311739303.db2.gz OYTPWYWZVSBHFM-LJQANCHMSA-N 2 0 333.520 2.821 20 30 EFEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(OC2CC(C#N)C2)c(C[NH+](C)C)c1 ZINC001227160936 1311769955 /nfs/dbraw/zinc/76/99/55/1311769955.db2.gz PARZYDHUGDOKSB-UHFFFAOYSA-N 3 0 344.503 2.552 20 30 EFEDRP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227184298 1311773688 /nfs/dbraw/zinc/77/36/88/1311773688.db2.gz IONSILOUPSFORL-RTBURBONSA-N 2 0 344.503 2.891 20 30 EFEDRP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787159 1311781507 /nfs/dbraw/zinc/78/15/07/1311781507.db2.gz JHBLKUWFBIJKNK-HXUWFJFHSA-N 2 0 345.531 2.965 20 30 EFEDRP C=CC[N@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787445 1311781554 /nfs/dbraw/zinc/78/15/54/1311781554.db2.gz OADGTDQUIJULJJ-UHFFFAOYSA-N 2 0 333.520 2.823 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160788144 1311781703 /nfs/dbraw/zinc/78/17/03/1311781703.db2.gz YYFOMXXDHSEOBH-LJQANCHMSA-N 2 0 331.504 2.575 20 30 EFEDRP CSc1nc(Cl)c(C#N)c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160944576 1311816997 /nfs/dbraw/zinc/81/69/97/1311816997.db2.gz RXJKIEIUJYOZON-UHFFFAOYSA-N 2 0 344.831 2.564 20 30 EFEDRP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@H]3CCCC[NH+]3C1)C2 ZINC001048525044 1311860370 /nfs/dbraw/zinc/86/03/70/1311860370.db2.gz ICVHYMYQMLEIDQ-OMZCGLGVSA-N 2 0 345.531 2.796 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001048527786 1311863974 /nfs/dbraw/zinc/86/39/74/1311863974.db2.gz UOVPUDBYNVUWQY-FCGDIQPGSA-N 2 0 333.520 2.795 20 30 EFEDRP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001048537085 1311877417 /nfs/dbraw/zinc/87/74/17/1311877417.db2.gz IAZAXVLCCHRJEL-REPLKXPHSA-N 2 0 345.531 2.798 20 30 EFEDRP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444250 1311890875 /nfs/dbraw/zinc/89/08/75/1311890875.db2.gz AODRMYNOSGPCSO-MOPGFXCFSA-N 2 0 331.504 2.718 20 30 EFEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001048556537 1311900341 /nfs/dbraw/zinc/90/03/41/1311900341.db2.gz LJENUWALKIPEAZ-FKSLSLAPSA-N 2 0 333.520 2.652 20 30 EFEDRP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001161496720 1311900969 /nfs/dbraw/zinc/90/09/69/1311900969.db2.gz BUJQRLZCNZXCOX-UHFFFAOYSA-N 2 0 333.520 2.660 20 30 EFEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001048584253 1311933903 /nfs/dbraw/zinc/93/39/03/1311933903.db2.gz XORPLAOEYOZTHF-IYWMVGAKSA-N 2 0 345.531 2.633 20 30 EFEDRP C#CC[N@H+]1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161678180 1311948687 /nfs/dbraw/zinc/94/86/87/1311948687.db2.gz ASPXJWLXYAQBHC-UHFFFAOYSA-N 2 0 333.520 2.660 20 30 EFEDRP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952368 1312012767 /nfs/dbraw/zinc/01/27/67/1312012767.db2.gz HHLIGHHAULLJKE-IBGZPJMESA-N 2 0 333.520 2.821 20 30 EFEDRP CC1(C)CCCc2cc(C#N)c(NCCC[NH2+]CCCC[NH3+])nc21 ZINC001162294677 1312083146 /nfs/dbraw/zinc/08/31/46/1312083146.db2.gz RQGQQQRMRZBZMU-UHFFFAOYSA-N 2 0 329.492 2.698 20 30 EFEDRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902769424 1312090165 /nfs/dbraw/zinc/09/01/65/1312090165.db2.gz XQVODGDYXVMVSI-HXUWFJFHSA-N 2 0 349.482 2.946 20 30 EFEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001229615408 1312120143 /nfs/dbraw/zinc/12/01/43/1312120143.db2.gz JKIHGBUPDAJTGH-GUDVDZBRSA-N 2 0 333.520 2.681 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001162849937 1312189497 /nfs/dbraw/zinc/18/94/97/1312189497.db2.gz OHNIDVBUCUMGFX-HXUWFJFHSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)[N@@H+](C)CC ZINC001162850773 1312189787 /nfs/dbraw/zinc/18/97/87/1312189787.db2.gz QZOWGGWMGRNHTG-UHFFFAOYSA-N 2 0 345.531 2.954 20 30 EFEDRP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001162911006 1312202253 /nfs/dbraw/zinc/20/22/53/1312202253.db2.gz BRDKDIUEZZMZMM-UHFFFAOYSA-N 2 0 343.515 2.565 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048860855 1312203313 /nfs/dbraw/zinc/20/33/13/1312203313.db2.gz FDAQKZMDYJUSTO-OTWHNJEPSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001162919678 1312203878 /nfs/dbraw/zinc/20/38/78/1312203878.db2.gz YTCBNVOSBBMWML-HXUWFJFHSA-N 2 0 345.531 2.810 20 30 EFEDRP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1C ZINC001162929260 1312205917 /nfs/dbraw/zinc/20/59/17/1312205917.db2.gz UUQCNPCVAUDHPF-LJQANCHMSA-N 2 0 343.515 2.708 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603269 1312209051 /nfs/dbraw/zinc/20/90/51/1312209051.db2.gz QJSFNWYWCHHPIU-MJGOQNOKSA-N 2 0 333.520 2.940 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCCC)CC1 ZINC001230251860 1312211201 /nfs/dbraw/zinc/21/12/01/1312211201.db2.gz NCRZUDDNWQQTOI-RTBURBONSA-N 2 0 333.520 2.539 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H](C(=O)OC)C(C)(C)[NH3+])cc1 ZINC001162956665 1312211315 /nfs/dbraw/zinc/21/13/15/1312211315.db2.gz RHOYMOAOQUPIJG-DLBZAZTESA-N 2 0 331.460 2.700 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266534 1312212556 /nfs/dbraw/zinc/21/25/56/1312212556.db2.gz MNLYGMCYCDDGNO-HZPDHXFCSA-N 2 0 327.900 2.632 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001230286847 1312216150 /nfs/dbraw/zinc/21/61/50/1312216150.db2.gz UAMIWJYCVSYKDS-ZACQAIPSSA-N 2 0 341.927 2.876 20 30 EFEDRP C=CCCC[NH+]1CCC(NC(=O)CN2CCc3sccc3C2)CC1 ZINC001230344801 1312226362 /nfs/dbraw/zinc/22/63/62/1312226362.db2.gz LNOANRXGGUOBFA-UHFFFAOYSA-N 2 0 347.528 2.653 20 30 EFEDRP C=CCCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001230537378 1312260080 /nfs/dbraw/zinc/26/00/80/1312260080.db2.gz FYWWRYJTNTXQSY-RBUKOAKNSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001230571240 1312268046 /nfs/dbraw/zinc/26/80/46/1312268046.db2.gz BXSJYUANUWJGEL-ZWKOTPCHSA-N 2 0 339.499 2.555 20 30 EFEDRP C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591549 1312275769 /nfs/dbraw/zinc/27/57/69/1312275769.db2.gz BTZURDFYIQPZBS-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592114 1312277000 /nfs/dbraw/zinc/27/70/00/1312277000.db2.gz RQYZOQOXGGJPMQ-SFHVURJKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001230598101 1312278386 /nfs/dbraw/zinc/27/83/86/1312278386.db2.gz FKTLAYMAKFIHMW-UYAOXDASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598614 1312278932 /nfs/dbraw/zinc/27/89/32/1312278932.db2.gz UUMFVCOXEWSEKK-RBUKOAKNSA-N 2 0 335.536 2.996 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001230605459 1312280758 /nfs/dbraw/zinc/28/07/58/1312280758.db2.gz NQAYMWGFVBCGIG-IBGZPJMESA-N 2 0 347.547 2.691 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230611745 1312283018 /nfs/dbraw/zinc/28/30/18/1312283018.db2.gz ZHWVXDOHOJINJG-UXHICEINSA-N 2 0 347.547 2.689 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611356 1312283199 /nfs/dbraw/zinc/28/31/99/1312283199.db2.gz RBLWGLCWWPVGGW-IBGZPJMESA-N 2 0 335.536 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001230618735 1312286313 /nfs/dbraw/zinc/28/63/13/1312286313.db2.gz RBWNTOPMQKOLNN-LJQANCHMSA-N 2 0 335.536 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622652 1312288484 /nfs/dbraw/zinc/28/84/84/1312288484.db2.gz PMDPFOLNVYPSLK-LJQANCHMSA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230631193 1312290576 /nfs/dbraw/zinc/29/05/76/1312290576.db2.gz YESUTOYIVDUZDM-HXUWFJFHSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@H]2C1 ZINC001049165644 1312533505 /nfs/dbraw/zinc/53/35/05/1312533505.db2.gz WRMGREVFOXRYSY-ZCNNSNEGSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531467 1312534284 /nfs/dbraw/zinc/53/42/84/1312534284.db2.gz JQJULHPJDOQNSI-ROUUACIJSA-N 2 0 333.520 2.703 20 30 EFEDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C[C@H]2C1 ZINC001231822089 1312571204 /nfs/dbraw/zinc/57/12/04/1312571204.db2.gz VBQLBFJYEAEXET-RTBURBONSA-N 2 0 326.488 2.810 20 30 EFEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015474 1312606347 /nfs/dbraw/zinc/60/63/47/1312606347.db2.gz XDRGQGWYJXOZRS-IEBWSBKVSA-N 2 0 327.428 2.889 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001165313908 1312607210 /nfs/dbraw/zinc/60/72/10/1312607210.db2.gz FARUKABGAJQIHK-IAGOWNOFSA-N 2 0 341.515 2.897 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001165313910 1312607461 /nfs/dbraw/zinc/60/74/61/1312607461.db2.gz FARUKABGAJQIHK-SJORKVTESA-N 2 0 341.515 2.897 20 30 EFEDRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001232118447 1312628617 /nfs/dbraw/zinc/62/86/17/1312628617.db2.gz MLPSRPRESWMCGQ-UHFFFAOYSA-N 2 0 346.906 2.671 20 30 EFEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165472078 1312634875 /nfs/dbraw/zinc/63/48/75/1312634875.db2.gz GIEHSPRNRFPFIV-GOSISDBHSA-N 2 0 335.536 2.807 20 30 EFEDRP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165484476 1312636268 /nfs/dbraw/zinc/63/62/68/1312636268.db2.gz FEWJDMAQFIMQBE-GOSISDBHSA-N 2 0 335.536 2.949 20 30 EFEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001165485035 1312636356 /nfs/dbraw/zinc/63/63/56/1312636356.db2.gz KGVQUQNTRUTXIH-GOSISDBHSA-N 2 0 333.520 2.846 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001211233374 1314460781 /nfs/dbraw/zinc/46/07/81/1314460781.db2.gz CVCOBQDNWCNZRZ-IBGZPJMESA-N 2 0 347.547 2.739 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001211233576 1314460789 /nfs/dbraw/zinc/46/07/89/1314460789.db2.gz IXBVMUISUUDNJT-HCZHMGAMSA-N 2 0 345.531 2.659 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001211307277 1314472687 /nfs/dbraw/zinc/47/26/87/1314472687.db2.gz QUICYBCJFSYBNU-UYAOXDASSA-N 2 0 345.531 2.515 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367388 1314485454 /nfs/dbraw/zinc/48/54/54/1314485454.db2.gz SAMHJZRCHXZDOF-QRVBRYPASA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374948 1314487506 /nfs/dbraw/zinc/48/75/06/1314487506.db2.gz UJRAGYQPEFXQNU-GUDVDZBRSA-N 2 0 335.536 2.900 20 30 EFEDRP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245987471 1314559646 /nfs/dbraw/zinc/55/96/46/1314559646.db2.gz SCQGGDVIBCQQLM-ZWKOTPCHSA-N 2 0 325.541 2.562 20 30 EFEDRP CCCCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021076 1314567630 /nfs/dbraw/zinc/56/76/30/1314567630.db2.gz LDGHFJAOBYIXEJ-OTWHNJEPSA-N 2 0 328.541 2.910 20 30 EFEDRP CCCCCCCC[C@H](O)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246061130 1314577321 /nfs/dbraw/zinc/57/73/21/1314577321.db2.gz WYHZQOMJQNMRMG-OALUTQOASA-N 2 0 327.557 2.714 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001053027850 1314598003 /nfs/dbraw/zinc/59/80/03/1314598003.db2.gz IDGZCDOXMQFSDS-QZTJIDSGSA-N 2 0 333.520 2.607 20 30 EFEDRP N#Cc1ccc(C2CCC([NH2+]C3CN(C4CC[NH2+]CC4)C3)CC2)cc1 ZINC001246213973 1314598864 /nfs/dbraw/zinc/59/88/64/1314598864.db2.gz GYRXLWDQTLSMNX-UHFFFAOYSA-N 2 0 338.499 2.610 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029493 1314603251 /nfs/dbraw/zinc/60/32/51/1314603251.db2.gz SOQIVQOSPRTXAO-MOPGFXCFSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001053029499 1314603322 /nfs/dbraw/zinc/60/33/22/1314603322.db2.gz SOQIVQOSPRTXAO-RTBURBONSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001053030722 1314605078 /nfs/dbraw/zinc/60/50/78/1314605078.db2.gz GUVBCMBANFIBJO-RBUKOAKNSA-N 2 0 345.531 2.751 20 30 EFEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246306100 1314608730 /nfs/dbraw/zinc/60/87/30/1314608730.db2.gz SRQZLTLVVZLUAO-MRXNPFEDSA-N 2 0 329.444 2.633 20 30 EFEDRP C[C@H]1C[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246444877 1314630218 /nfs/dbraw/zinc/63/02/18/1314630218.db2.gz ZIOJRCLQVXXERG-MVJPYGJCSA-N 3 0 326.488 2.771 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)C1 ZINC001246551997 1314647174 /nfs/dbraw/zinc/64/71/74/1314647174.db2.gz UBUVYUZRMXIQDN-QWFCFKBJSA-N 2 0 349.519 2.874 20 30 EFEDRP N#Cc1ccc(C2CCC([N@@H+]3CCNC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246598854 1314654249 /nfs/dbraw/zinc/65/42/49/1314654249.db2.gz BXICARMAPUHTQE-UHFFFAOYSA-N 2 0 338.499 2.612 20 30 EFEDRP CCCCCCCC[C@@H](CC)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246819078 1314690060 /nfs/dbraw/zinc/69/00/60/1314690060.db2.gz GHLKVWXFSOBFEN-LJQANCHMSA-N 2 0 326.573 2.600 20 30 EFEDRP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001053088426 1314695628 /nfs/dbraw/zinc/69/56/28/1314695628.db2.gz VCDTVPTVAYJBGB-MJGOQNOKSA-N 2 0 333.520 2.750 20 30 EFEDRP CCCCCCCC[C@@H](CC)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246923723 1314709038 /nfs/dbraw/zinc/70/90/38/1314709038.db2.gz FOVAOAPHPQVKGH-GOSISDBHSA-N 3 0 342.572 2.631 20 30 EFEDRP N#C[C@@H]1C[C@@H](N(Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246945683 1314712303 /nfs/dbraw/zinc/71/23/03/1314712303.db2.gz HXNCUGJCHVDIBX-WMZOPIPTSA-N 2 0 332.879 2.538 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001053100693 1314717096 /nfs/dbraw/zinc/71/70/96/1314717096.db2.gz ITKLOGFBWYUDSU-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648334 1314720188 /nfs/dbraw/zinc/72/01/88/1314720188.db2.gz IWMRDPMVYMGVDU-NZSAHSFTSA-N 2 0 335.536 2.735 20 30 EFEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246999669 1314728618 /nfs/dbraw/zinc/72/86/18/1314728618.db2.gz GDJVGNPUPILLNI-MUYFXNHWSA-N 2 0 335.492 2.675 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056968 1314775637 /nfs/dbraw/zinc/77/56/37/1314775637.db2.gz QKLHGKMBTRFGOS-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC001215153506 1314789789 /nfs/dbraw/zinc/78/97/89/1314789789.db2.gz UQAWFNAEOHTSOT-IIDMSEBBSA-N 2 0 326.444 2.739 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215220101 1314801618 /nfs/dbraw/zinc/80/16/18/1314801618.db2.gz UYXYHVRJWSGZDX-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397149 1314829710 /nfs/dbraw/zinc/82/97/10/1314829710.db2.gz WGAMVQVOVDOHCT-YDZRNGNQSA-N 2 0 335.536 2.900 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001215548386 1314849812 /nfs/dbraw/zinc/84/98/12/1314849812.db2.gz UYHSDRREFDHDRY-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]1C ZINC001215973139 1314896383 /nfs/dbraw/zinc/89/63/83/1314896383.db2.gz SUIGALXUXAUHJN-GDBMZVCRSA-N 2 0 329.916 2.688 20 30 EFEDRP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053410 1314905751 /nfs/dbraw/zinc/90/57/51/1314905751.db2.gz LUTRDBUGYGKPTR-RTBURBONSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216315106 1314939904 /nfs/dbraw/zinc/93/99/04/1314939904.db2.gz YHVDIASGRQBTFF-VQIMIIECSA-N 2 0 333.520 2.511 20 30 EFEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1C ZINC001216630467 1314984526 /nfs/dbraw/zinc/98/45/26/1314984526.db2.gz GWDSSQWJXRTMIV-SJLPKXTDSA-N 2 0 334.508 2.760 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038624006 1315049030 /nfs/dbraw/zinc/04/90/30/1315049030.db2.gz RQCNPGVIHJFYGN-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429531 1315072433 /nfs/dbraw/zinc/07/24/33/1315072433.db2.gz GFCLVUGOTFLJRZ-UHFFFAOYSA-N 2 0 341.503 2.745 20 30 EFEDRP c1ccc([S+](CCO[C@@H]2C[NH2+]CCOC2)c2ccccc2)cc1 ZINC001217785627 1315113351 /nfs/dbraw/zinc/11/33/51/1315113351.db2.gz OJMXLMHYPSTLTK-QGZVFWFLSA-N 2 0 330.473 2.728 20 30 EFEDRP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218542679 1315212961 /nfs/dbraw/zinc/21/29/61/1315212961.db2.gz WIADTTINNYWXBK-ZDUSSCGKSA-N 2 0 346.431 2.821 20 30 EFEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001054133198 1315343077 /nfs/dbraw/zinc/34/30/77/1315343077.db2.gz XZIYOPOTGWGDEM-OAQYLSRUSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133953 1315344375 /nfs/dbraw/zinc/34/43/75/1315344375.db2.gz QOWIYUOHUDOMCT-FPOVZHCZSA-N 2 0 345.531 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001054140786 1315355600 /nfs/dbraw/zinc/35/56/00/1315355600.db2.gz ZGTRATFEVSKQJH-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054142457 1315359698 /nfs/dbraw/zinc/35/96/98/1315359698.db2.gz CGKSBAUABKMOGS-CTNGQTDRSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001054145576 1315365292 /nfs/dbraw/zinc/36/52/92/1315365292.db2.gz SESYWVYHMUFREJ-TZIWHRDSSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147143 1315368359 /nfs/dbraw/zinc/36/83/59/1315368359.db2.gz LGNNDSLBIDPVRO-ICSRJNTNSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054183118 1315424141 /nfs/dbraw/zinc/42/41/41/1315424141.db2.gz YJKMOBUXOXQSIA-UYAOXDASSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001054184594 1315425863 /nfs/dbraw/zinc/42/58/63/1315425863.db2.gz HZGFLVOXCKNNHL-CMKODMSKSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054197535 1315441321 /nfs/dbraw/zinc/44/13/21/1315441321.db2.gz YOMFHRLHHFRFEA-NRFANRHFSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054197793 1315442178 /nfs/dbraw/zinc/44/21/78/1315442178.db2.gz ISFWJCHAJTUHSN-AZUAARDMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054198012 1315442270 /nfs/dbraw/zinc/44/22/70/1315442270.db2.gz NIYRXRPYROZKPO-WMZOPIPTSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209011 1315458958 /nfs/dbraw/zinc/45/89/58/1315458958.db2.gz GHTCOSFIGUZQAQ-OAQYLSRUSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209270 1315460233 /nfs/dbraw/zinc/46/02/33/1315460233.db2.gz MWHIOGYVQHSTBJ-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226796 1315484665 /nfs/dbraw/zinc/48/46/65/1315484665.db2.gz ZRCYQXSANACRQU-PZJWPPBQSA-N 2 0 345.531 2.589 20 30 EFEDRP CC(C)[PH+](CCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N)C(C)C ZINC001221254873 1315498487 /nfs/dbraw/zinc/49/84/87/1315498487.db2.gz YFYNRVSGWDQLGI-KRWDZBQOSA-N 2 0 333.416 2.843 20 30 EFEDRP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245478 1315516397 /nfs/dbraw/zinc/51/63/97/1315516397.db2.gz TURIUNOXCWDUIW-TZIWHRDSSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245475 1315516510 /nfs/dbraw/zinc/51/65/10/1315516510.db2.gz TURIUNOXCWDUIW-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001039134473 1315517805 /nfs/dbraw/zinc/51/78/05/1315517805.db2.gz PRLCLWZJDFQSQG-LJQANCHMSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001039136604 1315522479 /nfs/dbraw/zinc/52/24/79/1315522479.db2.gz BEBGUCYNQDGSLT-MOPGFXCFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001039140234 1315528250 /nfs/dbraw/zinc/52/82/50/1315528250.db2.gz RBAHEEMVYUPUAC-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001039142813 1315533954 /nfs/dbraw/zinc/53/39/54/1315533954.db2.gz NODBEUJVXUYAOF-LJQANCHMSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001039154821 1315551212 /nfs/dbraw/zinc/55/12/12/1315551212.db2.gz HHMKJYQTUMOHFO-QGZVFWFLSA-N 2 0 345.487 2.701 20 30 EFEDRP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159542 1315555704 /nfs/dbraw/zinc/55/57/04/1315555704.db2.gz QSYCFFZARWPCJR-IRXDYDNUSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001039163886 1315562830 /nfs/dbraw/zinc/56/28/30/1315562830.db2.gz BTQDKIPOEWELBE-HXUWFJFHSA-N 2 0 347.547 2.855 20 30 EFEDRP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001221616329 1315563308 /nfs/dbraw/zinc/56/33/08/1315563308.db2.gz JYCUZXACTCAGEM-MISYRCLQSA-N 2 0 345.531 2.892 20 30 EFEDRP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165062 1315563726 /nfs/dbraw/zinc/56/37/26/1315563726.db2.gz NIISCAYSUAYGSG-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165424 1315565713 /nfs/dbraw/zinc/56/57/13/1315565713.db2.gz PVVKNLBHAHCDJZ-IEBWSBKVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001039168323 1315570581 /nfs/dbraw/zinc/57/05/81/1315570581.db2.gz TZRBSQZHTNLRJF-HXUWFJFHSA-N 2 0 347.547 2.853 20 30 EFEDRP Cc1ccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cc1C#N ZINC001278701279 1315576158 /nfs/dbraw/zinc/57/61/58/1315576158.db2.gz XVVQXLHAOFFBEP-UHFFFAOYSA-N 2 0 349.482 2.661 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173504 1315578105 /nfs/dbraw/zinc/57/81/05/1315578105.db2.gz XZQAGAVNIPWCAW-IBGZPJMESA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC001039173591 1315578212 /nfs/dbraw/zinc/57/82/12/1315578212.db2.gz ABRGVKZTESDSFD-QGZVFWFLSA-N 2 0 342.487 2.508 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173943 1315579149 /nfs/dbraw/zinc/57/91/49/1315579149.db2.gz IWIXQGCYPJDKRM-UYAOXDASSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179613 1315586454 /nfs/dbraw/zinc/58/64/54/1315586454.db2.gz BXDQUBFWEITQQX-MOPGFXCFSA-N 2 0 335.536 2.709 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001039182671 1315590660 /nfs/dbraw/zinc/59/06/60/1315590660.db2.gz QPTWPXACSCKHGA-LJQANCHMSA-N 2 0 333.520 2.609 20 30 EFEDRP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001039183133 1315591813 /nfs/dbraw/zinc/59/18/13/1315591813.db2.gz WSGCRRLZGJFNDF-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039204694 1315617244 /nfs/dbraw/zinc/61/72/44/1315617244.db2.gz AAJZIUOIENYCGV-VQTJNVASSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039226566 1315647972 /nfs/dbraw/zinc/64/79/72/1315647972.db2.gz WHNJKOSDXCKQPJ-RTBURBONSA-N 2 0 344.503 2.942 20 30 EFEDRP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001039228597 1315650944 /nfs/dbraw/zinc/65/09/44/1315650944.db2.gz GJLWBRQANPREMP-ZWKOTPCHSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2ccnc2C(C)C)C1 ZINC001039233681 1315657764 /nfs/dbraw/zinc/65/77/64/1315657764.db2.gz DIBUPIMCERLTDX-QZTJIDSGSA-N 2 0 344.503 2.896 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001039239929 1315666808 /nfs/dbraw/zinc/66/68/08/1315666808.db2.gz SKJFMQDKACPBSS-PMACEKPBSA-N 2 0 347.547 2.997 20 30 EFEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040409 1315668788 /nfs/dbraw/zinc/66/87/88/1315668788.db2.gz SNUQYDBPBYYXPP-OWZKRDHZSA-N 2 0 339.483 2.780 20 30 EFEDRP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039250166 1315681744 /nfs/dbraw/zinc/68/17/44/1315681744.db2.gz JGPOILWHRMDXFW-MOPGFXCFSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039251153 1315682155 /nfs/dbraw/zinc/68/21/55/1315682155.db2.gz SZHTZLAQTLQDNN-SJLPKXTDSA-N 2 0 330.476 2.540 20 30 EFEDRP C=CCOCc1nn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c1C[NH2+]C2 ZINC001255111494 1315777004 /nfs/dbraw/zinc/77/70/04/1315777004.db2.gz FDJDYDNDMQJEEV-QGZVFWFLSA-N 2 0 338.455 2.636 20 30 EFEDRP CN1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478360 1315828494 /nfs/dbraw/zinc/82/84/94/1315828494.db2.gz UORKMJOKGQAHDL-UFYCRDLUSA-N 2 0 326.488 2.724 20 30 EFEDRP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCCC[N@H+]3CC)cccc2C1 ZINC001051306680 1315847114 /nfs/dbraw/zinc/84/71/14/1315847114.db2.gz LOLGVMDIHSVGQC-FQEVSTJZSA-N 2 0 341.499 2.721 20 30 EFEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H](C)CC[NH+](CC)CC)CC1 ZINC001255950897 1315883783 /nfs/dbraw/zinc/88/37/83/1315883783.db2.gz FCSHSXYVHPTWLZ-MRXNPFEDSA-N 2 0 325.497 2.731 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052427481 1315945757 /nfs/dbraw/zinc/94/57/57/1315945757.db2.gz ZMHTXRWMKPKHHN-MRXNPFEDSA-N 2 0 335.517 2.970 20 30 EFEDRP [NH2+]=C(NC1CCC([NH+]2CCOCC2)CC1)c1ccc2ccccc2n1 ZINC001256683979 1315981480 /nfs/dbraw/zinc/98/14/80/1315981480.db2.gz JVQCDXMBGXVELD-UHFFFAOYSA-N 2 0 338.455 2.584 20 30 EFEDRP C[NH+]1CCN(CCC[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257008186 1316020736 /nfs/dbraw/zinc/02/07/36/1316020736.db2.gz IFONLIYIVNLOPQ-UHFFFAOYSA-N 2 0 340.515 2.812 20 30 EFEDRP COC(=O)CC[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258362716 1316143170 /nfs/dbraw/zinc/14/31/70/1316143170.db2.gz ZORNVMMHWQZFEG-SNRMKQJTSA-N 2 0 343.471 2.972 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001040211720 1316145947 /nfs/dbraw/zinc/14/59/47/1316145947.db2.gz YQXUTKJMUWFPBK-NSHGMRRFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC[NH+](CCC)CC3)C2)C1 ZINC001258771711 1316176820 /nfs/dbraw/zinc/17/68/20/1316176820.db2.gz QGGMXAIBDYWTLF-HXUWFJFHSA-N 2 0 349.519 2.971 20 30 EFEDRP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040281869 1316182381 /nfs/dbraw/zinc/18/23/81/1316182381.db2.gz SCKWABUELULKKW-LJQANCHMSA-N 2 0 331.504 2.505 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040312259 1316196705 /nfs/dbraw/zinc/19/67/05/1316196705.db2.gz AQZXAKNIMGDERT-PZJWPPBQSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001040347429 1316214095 /nfs/dbraw/zinc/21/40/95/1316214095.db2.gz KXDLHXUGKJLJSD-TZIWHRDSSA-N 2 0 347.547 2.999 20 30 EFEDRP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040355350 1316219063 /nfs/dbraw/zinc/21/90/63/1316219063.db2.gz AVVBPOPTRLTUES-BJLQDIEVSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001040356835 1316219403 /nfs/dbraw/zinc/21/94/03/1316219403.db2.gz LIAXURBLEFJWTE-ZJOUEHCJSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369565 1316224894 /nfs/dbraw/zinc/22/48/94/1316224894.db2.gz RBJPJJGNVCBSSR-HXUWFJFHSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396112 1316241811 /nfs/dbraw/zinc/24/18/11/1316241811.db2.gz SBIKUEQPNNWSNY-ICSRJNTNSA-N 2 0 333.520 2.609 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433567 1316263554 /nfs/dbraw/zinc/26/35/54/1316263554.db2.gz XJGWXDFMKMZJPX-PZJWPPBQSA-N 2 0 345.531 2.587 20 30 EFEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487719 1316289426 /nfs/dbraw/zinc/28/94/26/1316289426.db2.gz GNAZEIRBSJSWAY-TZIWHRDSSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542691 1316315618 /nfs/dbraw/zinc/31/56/18/1316315618.db2.gz COAHWQIAEUYDFP-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545377 1316316668 /nfs/dbraw/zinc/31/66/68/1316316668.db2.gz ONKSLGXIBSADDE-PZJWPPBQSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040545958 1316317352 /nfs/dbraw/zinc/31/73/52/1316317352.db2.gz ZMSZRIRGRFYPDM-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040722234 1316360127 /nfs/dbraw/zinc/36/01/27/1316360127.db2.gz RKRLLYOBBFBHJE-LJQANCHMSA-N 2 0 347.547 2.855 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726563 1316360983 /nfs/dbraw/zinc/36/09/83/1316360983.db2.gz KZCQHNCDZMSLOB-IBGZPJMESA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040816563 1316381207 /nfs/dbraw/zinc/38/12/07/1316381207.db2.gz AZVYMFCXRDMWQL-IBGZPJMESA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001040829785 1316383962 /nfs/dbraw/zinc/38/39/62/1316383962.db2.gz HTXLXWFGFYAELM-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847476 1316388202 /nfs/dbraw/zinc/38/82/02/1316388202.db2.gz QDHFPIXCAHAYLG-UHFFFAOYSA-N 2 0 333.520 2.609 20 30 EFEDRP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001040875144 1316394806 /nfs/dbraw/zinc/39/48/06/1316394806.db2.gz SSUQQDHZHZQDJY-IBGZPJMESA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040913103 1316403502 /nfs/dbraw/zinc/40/35/02/1316403502.db2.gz XFCPZWLKORBTMA-OALUTQOASA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C2)C1 ZINC001073478221 1316461838 /nfs/dbraw/zinc/46/18/38/1316461838.db2.gz DIIUFNYRFUTQRH-UHFFFAOYSA-N 2 0 345.487 2.845 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001041325491 1316515028 /nfs/dbraw/zinc/51/50/28/1316515028.db2.gz AYAVKTWPIREOEJ-IBGZPJMESA-N 2 0 347.528 2.924 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001041339570 1316519899 /nfs/dbraw/zinc/51/98/99/1316519899.db2.gz PTEWJHLHTRZCME-AZUAARDMSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357966 1316526710 /nfs/dbraw/zinc/52/67/10/1316526710.db2.gz JRBPJFZBRLYAMR-PZJWPPBQSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001041357964 1316526723 /nfs/dbraw/zinc/52/67/23/1316526723.db2.gz JRBPJFZBRLYAMR-CTNGQTDRSA-N 2 0 345.531 2.894 20 30 EFEDRP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041371086 1316530639 /nfs/dbraw/zinc/53/06/39/1316530639.db2.gz KCGGVEVCDAUKLL-QUCCMNQESA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041421866 1316547709 /nfs/dbraw/zinc/54/77/09/1316547709.db2.gz KPXRUWUGMCYCKV-FQEVSTJZSA-N 2 0 338.455 2.757 20 30 EFEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041425044 1316549224 /nfs/dbraw/zinc/54/92/24/1316549224.db2.gz RATLDEXMJYXPGD-NRFANRHFSA-N 2 0 345.531 2.587 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041506290 1316570268 /nfs/dbraw/zinc/57/02/68/1316570268.db2.gz QKGQIEDKUOYZRT-FPOVZHCZSA-N 2 0 345.531 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725485 1316667698 /nfs/dbraw/zinc/66/76/98/1316667698.db2.gz NKOGZHRWDWFGHJ-FQEVSTJZSA-N 2 0 333.520 2.609 20 30 EFEDRP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782184 1316696626 /nfs/dbraw/zinc/69/66/26/1316696626.db2.gz SMQFBSALZVWMRN-FPOVZHCZSA-N 2 0 345.531 2.589 20 30 EFEDRP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844648 1316730638 /nfs/dbraw/zinc/73/06/38/1316730638.db2.gz BUVRFOVDQZTVKW-ICSRJNTNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041844650 1316730715 /nfs/dbraw/zinc/73/07/15/1316730715.db2.gz BUVRFOVDQZTVKW-UYAOXDASSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041846062 1316732169 /nfs/dbraw/zinc/73/21/69/1316732169.db2.gz WJVOEVGTXBPNKN-QUCCMNQESA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845940 1316732216 /nfs/dbraw/zinc/73/22/16/1316732216.db2.gz SRECMZYJRPSNLK-CTNGQTDRSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001041846072 1316732380 /nfs/dbraw/zinc/73/23/80/1316732380.db2.gz WLBSFPIHPIZJPK-FPOVZHCZSA-N 2 0 347.547 2.997 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042062887 1316852687 /nfs/dbraw/zinc/85/26/87/1316852687.db2.gz PCJJOGMYQNGHTN-MSOLQXFVSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042121053 1316893386 /nfs/dbraw/zinc/89/33/86/1316893386.db2.gz DFSBGTUGQYWZIU-VQIMIIECSA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042121255 1316893632 /nfs/dbraw/zinc/89/36/32/1316893632.db2.gz GAEPSTKJTJTUAN-APWZRJJASA-N 2 0 338.455 2.755 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042259799 1317047359 /nfs/dbraw/zinc/04/73/59/1317047359.db2.gz SBHFWYGIFVYFDK-RBUKOAKNSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042259798 1317048072 /nfs/dbraw/zinc/04/80/72/1317048072.db2.gz SBHFWYGIFVYFDK-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268679 1317067440 /nfs/dbraw/zinc/06/74/40/1317067440.db2.gz FJZYZSGZAIBICJ-ICSRJNTNSA-N 2 0 341.499 2.861 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042270566 1317067631 /nfs/dbraw/zinc/06/76/31/1317067631.db2.gz PZJRTFJRERBFJR-UYAOXDASSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042296883 1317108314 /nfs/dbraw/zinc/10/83/14/1317108314.db2.gz IDIAHWQXTHDOGB-PKOBYXMFSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042296978 1317108689 /nfs/dbraw/zinc/10/86/89/1317108689.db2.gz KDOQLPVWHOWPAV-MJGOQNOKSA-N 2 0 333.520 2.606 20 30 EFEDRP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001042308377 1317128711 /nfs/dbraw/zinc/12/87/11/1317128711.db2.gz UWIBGHLQKHNCQE-ICSRJNTNSA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368145 1317223691 /nfs/dbraw/zinc/22/36/91/1317223691.db2.gz ONRRUFFYFTYXON-OALUTQOASA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC001042368126 1317223742 /nfs/dbraw/zinc/22/37/42/1317223742.db2.gz ODHCINKOBPYDJU-XLIONFOSSA-N 2 0 341.499 2.861 20 30 EFEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@@H]21 ZINC001042372929 1317230295 /nfs/dbraw/zinc/23/02/95/1317230295.db2.gz BJASZWCPFRXSQR-AEFFLSMTSA-N 2 0 345.487 2.844 20 30 EFEDRP N#CCc1ccccc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279376352 1317250397 /nfs/dbraw/zinc/25/03/97/1317250397.db2.gz VNNZIVQXNHDOEY-UHFFFAOYSA-N 2 0 349.482 2.964 20 30 EFEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C(C)C ZINC001331399639 1330833182 /nfs/dbraw/zinc/83/31/82/1330833182.db2.gz PFPZAVVHWXWFFP-KZNAEPCWSA-N 2 0 336.524 2.502 20 30 EFEDRP C[NH+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)c1 ZINC001331963580 1330898304 /nfs/dbraw/zinc/89/83/04/1330898304.db2.gz XOAIFZMPQYNLFJ-UHFFFAOYSA-N 2 0 336.439 2.738 20 30 EFEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089915 1332137852 /nfs/dbraw/zinc/13/78/52/1332137852.db2.gz HFKVJLQLDAMCBM-RBUKOAKNSA-N 2 0 329.488 2.651 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001341072297 1332231398 /nfs/dbraw/zinc/23/13/98/1332231398.db2.gz OIMROIRRZCRGBW-OALUTQOASA-N 2 0 345.487 2.632 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341616446 1332271449 /nfs/dbraw/zinc/27/14/49/1332271449.db2.gz YTTUIMMSEKGXRG-NEWSRXKRSA-N 2 0 329.488 2.697 20 30 EFEDRP C=C(C)C[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943586 1333789664 /nfs/dbraw/zinc/78/96/64/1333789664.db2.gz VICIFXDIGPRLHN-UHFFFAOYSA-N 2 0 329.488 2.766 20 30 EFEDRP C=C(C)CC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001002030946 1333957591 /nfs/dbraw/zinc/95/75/91/1333957591.db2.gz UGJPFKIFEBWRGT-UHFFFAOYSA-N 2 0 347.547 2.903 20 30 EFEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200841359 1334651491 /nfs/dbraw/zinc/65/14/91/1334651491.db2.gz QLKYJILZPZWFJS-NVXWUHKLSA-N 2 0 327.488 2.602 20 30 EFEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001356545544 1335051170 /nfs/dbraw/zinc/05/11/70/1335051170.db2.gz XWTODVREXGWMOD-MRXNPFEDSA-N 2 0 328.460 2.741 20 30 EFEDRP C[NH+]=C(NCc1ccco1)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000849076058 1335070022 /nfs/dbraw/zinc/07/00/22/1335070022.db2.gz UKPYAKYIDQHMJH-HXUWFJFHSA-N 2 0 340.471 2.857 20 30 EFEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001357351044 1335304055 /nfs/dbraw/zinc/30/40/55/1335304055.db2.gz MVFPZMNGILMVCG-IBGZPJMESA-N 2 0 329.488 2.713 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366850776 1338117243 /nfs/dbraw/zinc/11/72/43/1338117243.db2.gz FTTAALJFUHURHN-KRWDZBQOSA-N 2 0 341.927 2.833 20 30 EFEDRP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001373319503 1340989803 /nfs/dbraw/zinc/98/98/03/1340989803.db2.gz GIXFIROEFRPTKX-UHFFFAOYSA-N 2 0 343.943 2.887 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001374569808 1342081827 /nfs/dbraw/zinc/08/18/27/1342081827.db2.gz FWYNDMFOCCNZPF-ZWKOTPCHSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001374569779 1342082464 /nfs/dbraw/zinc/08/24/64/1342082464.db2.gz FWYNDMFOCCNZPF-MSOLQXFVSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001374571765 1342083768 /nfs/dbraw/zinc/08/37/68/1342083768.db2.gz RTJXMEXBVDBVRW-ROUUACIJSA-N 2 0 349.906 2.989 20 30 EFEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001376368040 1343519991 /nfs/dbraw/zinc/51/99/91/1343519991.db2.gz UYDTUMDMZOVYRY-MUJYYYPQSA-N 2 0 339.911 2.582 20 30 EFEDRP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001376614819 1343721763 /nfs/dbraw/zinc/72/17/63/1343721763.db2.gz CLLIGHXVPFTPKM-HZPDHXFCSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001376968050 1343996220 /nfs/dbraw/zinc/99/62/20/1343996220.db2.gz RQKYWNZJLVULQX-MRXNPFEDSA-N 2 0 335.879 2.552 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001377602210 1344208989 /nfs/dbraw/zinc/20/89/89/1344208989.db2.gz BYYKGNYZHWPUJN-GDBMZVCRSA-N 2 0 329.916 2.542 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001378551571 1345157416 /nfs/dbraw/zinc/15/74/16/1345157416.db2.gz DCILMDGPWYMZGA-LLVKDONJSA-N 2 0 329.897 2.518 20 30 EFEDRP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001379155351 1345631391 /nfs/dbraw/zinc/63/13/91/1345631391.db2.gz VJTQODZLLDEVNM-IAGOWNOFSA-N 2 0 339.911 2.538 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001379696916 1347266723 /nfs/dbraw/zinc/26/67/23/1347266723.db2.gz RDXJVYSIDPXZSE-RDJZCZTQSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001380269688 1347563021 /nfs/dbraw/zinc/56/30/21/1347563021.db2.gz OYVXBFQKSFDBJZ-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001380326030 1347595307 /nfs/dbraw/zinc/59/53/07/1347595307.db2.gz DBLVRMAWCWVVCB-KRWDZBQOSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380697250 1347819441 /nfs/dbraw/zinc/81/94/41/1347819441.db2.gz HCFWFOKVXLPXRE-WKILWMFISA-N 2 0 341.927 2.593 20 30 EFEDRP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382538958 1349005169 /nfs/dbraw/zinc/00/51/69/1349005169.db2.gz WXJDVOPQLCGHAG-GOSISDBHSA-N 2 0 344.503 2.521 20 30 EFEDRP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382538961 1349005371 /nfs/dbraw/zinc/00/53/71/1349005371.db2.gz WXJDVOPQLCGHAG-SFHVURJKSA-N 2 0 344.503 2.521 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001390683100 1354275586 /nfs/dbraw/zinc/27/55/86/1354275586.db2.gz BDTMHBFARFCKKI-OAHLLOKOSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001391884009 1355620362 /nfs/dbraw/zinc/62/03/62/1355620362.db2.gz CTLOTIZGSBOTAN-ZBFHGGJFSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001392170592 1355825061 /nfs/dbraw/zinc/82/50/61/1355825061.db2.gz GRQYOWJETIUURY-QGZVFWFLSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001392343897 1356009598 /nfs/dbraw/zinc/00/95/98/1356009598.db2.gz BZYUDMHJUUPZJG-IAGOWNOFSA-N 2 0 341.927 2.734 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001392740239 1356297794 /nfs/dbraw/zinc/29/77/94/1356297794.db2.gz YJCRTSAHIRAWJP-IRXDYDNUSA-N 2 0 341.927 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001392964180 1356470948 /nfs/dbraw/zinc/47/09/48/1356470948.db2.gz YHRBINGSHTVFHL-MQVJKMGUSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001394674138 1357990834 /nfs/dbraw/zinc/99/08/34/1357990834.db2.gz VJYTXIJFOBUEFC-HOTGVXAUSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001394833399 1358133343 /nfs/dbraw/zinc/13/33/43/1358133343.db2.gz JXYGHUBSDKRZQM-INIZCTEOSA-N 2 0 343.943 2.980 20 30 EFEDRP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001437060667 1387389947 /nfs/dbraw/zinc/38/99/47/1387389947.db2.gz RDYFMZVZMNPELZ-IAGOWNOFSA-N 2 0 341.927 2.832 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001397164583 1359716977 /nfs/dbraw/zinc/71/69/77/1359716977.db2.gz AILXWDAWTBAJQQ-PBHICJAKSA-N 2 0 341.927 2.688 20 30 EFEDRP C=C(Cl)CN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398311198 1360456099 /nfs/dbraw/zinc/45/60/99/1360456099.db2.gz BVHMFHTZZFJBFO-HNNXBMFYSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001402031699 1363343358 /nfs/dbraw/zinc/34/33/58/1363343358.db2.gz MEJVSPGOOISTQK-GDBMZVCRSA-N 2 0 327.900 2.582 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001402064559 1363371161 /nfs/dbraw/zinc/37/11/61/1363371161.db2.gz ZMHNBNLPQNORTN-GJZGRUSLSA-N 2 0 329.916 2.686 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001402809778 1364056608 /nfs/dbraw/zinc/05/66/08/1364056608.db2.gz CRLQVKYEVYKKKK-JKSUJKDBSA-N 2 0 327.900 2.584 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001406077147 1367191148 /nfs/dbraw/zinc/19/11/48/1367191148.db2.gz LUKHZLGMZRNLQI-QGZVFWFLSA-N 2 0 337.895 2.845 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]1CC ZINC001406809101 1368082891 /nfs/dbraw/zinc/08/28/91/1368082891.db2.gz OAQNDEKGNHPWDV-CVEARBPZSA-N 2 0 329.916 2.688 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001407119216 1368446588 /nfs/dbraw/zinc/44/65/88/1368446588.db2.gz WDYXLLNRYILOJV-QGZVFWFLSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001407552458 1368976035 /nfs/dbraw/zinc/97/60/35/1368976035.db2.gz UCPFFCXVPAXPOG-GJZGRUSLSA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001407552449 1368976737 /nfs/dbraw/zinc/97/67/37/1368976737.db2.gz UCPFFCXVPAXPOG-CABCVRRESA-N 2 0 329.916 2.543 20 30 EFEDRP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001407556767 1368983200 /nfs/dbraw/zinc/98/32/00/1368983200.db2.gz USGMDYGWJXPVEL-YVSFHVDLSA-N 2 0 341.927 2.684 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001437987690 1388298738 /nfs/dbraw/zinc/29/87/38/1388298738.db2.gz PBXLUGIOCLZUSO-INIZCTEOSA-N 2 0 341.927 2.640 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001419831254 1375952390 /nfs/dbraw/zinc/95/23/90/1375952390.db2.gz NQVDLNPABBUUCI-JKSUJKDBSA-N 2 0 343.943 2.934 20 30 EFEDRP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001420956349 1377936881 /nfs/dbraw/zinc/93/68/81/1377936881.db2.gz SYPOGQUFCMOGQE-QGZVFWFLSA-N 2 0 349.906 2.895 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001421580099 1378842076 /nfs/dbraw/zinc/84/20/76/1378842076.db2.gz RTFJMENJEUXMPH-PBHICJAKSA-N 2 0 329.916 2.735 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001423409080 1381918560 /nfs/dbraw/zinc/91/85/60/1381918560.db2.gz LCINGTQAZLGUGH-LSDHHAIUSA-N 2 0 346.862 2.883 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001423478048 1381972307 /nfs/dbraw/zinc/97/23/07/1381972307.db2.gz BCCSGOVZYLLTQB-QGZVFWFLSA-N 2 0 335.879 2.695 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001439503196 1389300062 /nfs/dbraw/zinc/30/00/62/1389300062.db2.gz YZYVWBMESIZFFX-QGZVFWFLSA-N 2 0 335.879 2.599 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001440222734 1389452957 /nfs/dbraw/zinc/45/29/57/1389452957.db2.gz YSYMWZVGXTVFDJ-BRWVUGGUSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001440327423 1389538286 /nfs/dbraw/zinc/53/82/86/1389538286.db2.gz YNMOLFXIJSGPML-UHFFFAOYSA-N 2 0 332.835 2.637 20 30 EFEDRP C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCC1 ZINC001440341337 1389548275 /nfs/dbraw/zinc/54/82/75/1389548275.db2.gz SZXLUGZAQQXWHY-UHFFFAOYSA-N 2 0 349.906 2.785 20 30 EFEDRP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001507124484 1406735418 /nfs/dbraw/zinc/73/54/18/1406735418.db2.gz COXQVCNPCGPQAJ-OAHLLOKOSA-N 2 0 337.895 2.593 20 30 EFEDRP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001479988654 1398073377 /nfs/dbraw/zinc/07/33/77/1398073377.db2.gz SIKYSIUTTXWKPP-INIZCTEOSA-N 2 0 339.911 2.586 20 30 EFEDRP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001499952776 1402868095 /nfs/dbraw/zinc/86/80/95/1402868095.db2.gz KYJOZJQJYCMKHT-INIZCTEOSA-N 2 0 327.900 2.586 20 30 EFEDRP N#Cc1cccc([C@@H](O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC001560098460 1415263251 /nfs/dbraw/zinc/26/32/51/1415263251.db2.gz ISDSXNGMKTXNGG-PMACEKPBSA-N 2 0 332.407 2.819 20 30 EFEDRP N#Cc1cccc([C@@H](O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c1 ZINC001560098461 1415263376 /nfs/dbraw/zinc/26/33/76/1415263376.db2.gz ISDSXNGMKTXNGG-UXHICEINSA-N 2 0 332.407 2.819 20 30 EFEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001698552404 1417302878 /nfs/dbraw/zinc/30/28/78/1417302878.db2.gz JNUBVOWNAJOEMJ-PKOBYXMFSA-N 2 0 343.515 2.950 20 30 EFEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001699785208 1417468687 /nfs/dbraw/zinc/46/86/87/1417468687.db2.gz HSTYIGUAGIAMBK-HXUWFJFHSA-N 2 0 345.531 2.753 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969834339 713275955 /nfs/dbraw/zinc/27/59/55/713275955.db2.gz XVBWMEFVNPDOJD-VQIMIIECSA-N 2 0 333.520 2.796 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001020906690 713435354 /nfs/dbraw/zinc/43/53/54/713435354.db2.gz IHGDCNDAWVIXDJ-BZUAXINKSA-N 2 0 327.900 2.630 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC000980211759 717910358 /nfs/dbraw/zinc/91/03/58/717910358.db2.gz HORHQWBWOXCSQR-GVDBMIGSSA-N 2 0 342.487 2.554 20 30 EFEDRP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001039167210 713673332 /nfs/dbraw/zinc/67/33/32/713673332.db2.gz OZIQHOMYZSPZJO-FQEVSTJZSA-N 2 0 347.547 2.855 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970453538 713721552 /nfs/dbraw/zinc/72/15/52/713721552.db2.gz TZTSNDXLACNKPJ-CVEARBPZSA-N 2 0 327.900 2.584 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC000980216387 717929783 /nfs/dbraw/zinc/92/97/83/717929783.db2.gz JOYVPDCYNSGCMB-ZCNNSNEGSA-N 2 0 347.547 2.900 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000980218405 717933031 /nfs/dbraw/zinc/93/30/31/717933031.db2.gz NDVVELYBOCEDPS-SLFFLAALSA-N 2 0 347.547 2.900 20 30 EFEDRP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039205140 713918512 /nfs/dbraw/zinc/91/85/12/713918512.db2.gz KZOHGOYXHXDATQ-RTBURBONSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970714312 713927656 /nfs/dbraw/zinc/92/76/56/713927656.db2.gz POLWVNJUJZZLSR-INIZCTEOSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557205 717936309 /nfs/dbraw/zinc/93/63/09/717936309.db2.gz OFCZQYCSAARNQZ-QGZVFWFLSA-N 2 0 326.444 2.885 20 30 EFEDRP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001021620428 714188788 /nfs/dbraw/zinc/18/87/88/714188788.db2.gz UGXITPMUOMGGJH-APWZRJJASA-N 2 0 338.455 2.755 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021622022 714191513 /nfs/dbraw/zinc/19/15/13/714191513.db2.gz GUKZNWKCCQHVBV-IEBWSBKVSA-N 2 0 338.455 2.837 20 30 EFEDRP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039279252 714247829 /nfs/dbraw/zinc/24/78/29/714247829.db2.gz KGIMQIXWAUBIKV-HMQMGEFJSA-N 2 0 339.911 2.725 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666116 714265006 /nfs/dbraw/zinc/26/50/06/714265006.db2.gz PHTDXKLMDSIFSX-MOPGFXCFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024571341 717962247 /nfs/dbraw/zinc/96/22/47/717962247.db2.gz YDOHAGIJVNJFJB-SFHVURJKSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700436 714333131 /nfs/dbraw/zinc/33/31/31/714333131.db2.gz PVIQCSWXGHIBSG-OALUTQOASA-N 2 0 333.520 2.607 20 30 EFEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160671338 714403842 /nfs/dbraw/zinc/40/38/42/714403842.db2.gz ZGSPZCYEHABHNY-NSHDSACASA-N 2 0 330.354 2.654 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972158016 715451097 /nfs/dbraw/zinc/45/10/97/715451097.db2.gz JJCKBOKHAYFXFT-OALUTQOASA-N 2 0 333.520 2.892 20 30 EFEDRP CC(C)c1cccc(NC(=[NH2+])NCCCC[NH+]2CCN(C)CC2)c1 ZINC000303908692 724434638 /nfs/dbraw/zinc/43/46/38/724434638.db2.gz XTPMSKITYHIHGL-UHFFFAOYSA-N 2 0 331.508 2.564 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001027507506 716097603 /nfs/dbraw/zinc/09/76/03/716097603.db2.gz OXDNGOGZLUMFTR-SFHVURJKSA-N 2 0 329.488 2.513 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038707766 716133836 /nfs/dbraw/zinc/13/38/36/716133836.db2.gz YBYYDQZDVGFXOM-LJQANCHMSA-N 2 0 329.488 2.561 20 30 EFEDRP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001023456876 716492327 /nfs/dbraw/zinc/49/23/27/716492327.db2.gz BCBSERXKYFOTOP-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699989 716567536 /nfs/dbraw/zinc/56/75/36/716567536.db2.gz OOXIVACFJWQQKU-INIZCTEOSA-N 2 0 333.476 2.844 20 30 EFEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552244 716615447 /nfs/dbraw/zinc/61/54/47/716615447.db2.gz BQHVYGLDNMCKTC-AZUAARDMSA-N 2 0 345.531 2.635 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001023588701 716661605 /nfs/dbraw/zinc/66/16/05/716661605.db2.gz IXOBTNFYWGYOIU-LJQANCHMSA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576949 716701954 /nfs/dbraw/zinc/70/19/54/716701954.db2.gz APAKATBRDYJSLI-APWZRJJASA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576952 716701977 /nfs/dbraw/zinc/70/19/77/716701977.db2.gz APAKATBRDYJSLI-VQIMIIECSA-N 2 0 339.499 2.698 20 30 EFEDRP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601704 716916170 /nfs/dbraw/zinc/91/61/70/716916170.db2.gz GVBPUNJZOMIJMZ-IRXDYDNUSA-N 2 0 341.927 2.925 20 30 EFEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176965849 717330907 /nfs/dbraw/zinc/33/09/07/717330907.db2.gz NEHMMUVUDLZYKM-UHFFFAOYSA-N 2 0 346.397 2.577 20 30 EFEDRP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC000979975552 717630005 /nfs/dbraw/zinc/63/00/05/717630005.db2.gz BPTAQEJGAMFXLZ-FHWLQOOXSA-N 2 0 345.531 2.655 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980140172 717783644 /nfs/dbraw/zinc/78/36/44/717783644.db2.gz JZWGNOZWULDECT-BZSNNMDCSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980140174 717783890 /nfs/dbraw/zinc/78/38/90/717783890.db2.gz JZWGNOZWULDECT-KSZLIROESA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478110 717790419 /nfs/dbraw/zinc/79/04/19/717790419.db2.gz QUTUELUSOSLGCS-RBUKOAKNSA-N 2 0 335.536 2.901 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980143887 717791070 /nfs/dbraw/zinc/79/10/70/717791070.db2.gz OBXNIPMBEVKFMM-SZMVWBNQSA-N 2 0 338.455 2.741 20 30 EFEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000304684763 724469554 /nfs/dbraw/zinc/46/95/54/724469554.db2.gz FXAZQRXHIVIGGN-INIZCTEOSA-N 2 0 345.535 2.953 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC001024486697 717810659 /nfs/dbraw/zinc/81/06/59/717810659.db2.gz GATDDYKAQHJXHG-PMACEKPBSA-N 2 0 345.531 2.635 20 30 EFEDRP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC000980155187 717812228 /nfs/dbraw/zinc/81/22/28/717812228.db2.gz IAAYVOQKKUBYHX-CGTJXYLNSA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980166812 717831100 /nfs/dbraw/zinc/83/11/00/717831100.db2.gz JLZIEHNWEAXFCV-FHWLQOOXSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC000980181548 717849563 /nfs/dbraw/zinc/84/95/63/717849563.db2.gz DUAKXPLZNPDPIE-SLFFLAALSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980182214 717850760 /nfs/dbraw/zinc/85/07/60/717850760.db2.gz CDXVWBQFUNCMJO-FHWLQOOXSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980190746 717881485 /nfs/dbraw/zinc/88/14/85/717881485.db2.gz YUTIIFOOBAORMS-XUVXKRRUSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024649385 718062928 /nfs/dbraw/zinc/06/29/28/718062928.db2.gz SRPDAOOECNHXMA-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168923 718163256 /nfs/dbraw/zinc/16/32/56/718163256.db2.gz LJUASHXEANOJEE-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814043 718174435 /nfs/dbraw/zinc/17/44/35/718174435.db2.gz NETXVKJXEPXAKT-GOSISDBHSA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024810901 718175164 /nfs/dbraw/zinc/17/51/64/718175164.db2.gz LCRFWGPARPIANH-LJQANCHMSA-N 2 0 329.488 2.909 20 30 EFEDRP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001024987860 718249588 /nfs/dbraw/zinc/24/95/88/718249588.db2.gz XPFPEQBWJKDOMQ-PMACEKPBSA-N 2 0 343.515 2.555 20 30 EFEDRP C=C(Cl)CN1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663290 718432071 /nfs/dbraw/zinc/43/20/71/718432071.db2.gz STQOMBFTELNQPJ-UKRRQHHQSA-N 2 0 339.867 2.676 20 30 EFEDRP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001025240358 718460044 /nfs/dbraw/zinc/46/00/44/718460044.db2.gz NPZRXTNMXRAGBX-RTBURBONSA-N 2 0 333.520 2.892 20 30 EFEDRP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025244567 718463329 /nfs/dbraw/zinc/46/33/29/718463329.db2.gz WIVMYQMFJBECCL-RTBURBONSA-N 2 0 345.531 2.894 20 30 EFEDRP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001025248292 718469234 /nfs/dbraw/zinc/46/92/34/718469234.db2.gz YBMRKDILQDPCEF-OALUTQOASA-N 2 0 338.455 2.979 20 30 EFEDRP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025259652 718476197 /nfs/dbraw/zinc/47/61/97/718476197.db2.gz SKYCNEACMLWMMI-ZWKOTPCHSA-N 2 0 333.520 2.892 20 30 EFEDRP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025265290 718486452 /nfs/dbraw/zinc/48/64/52/718486452.db2.gz DYBRKCSJISUHCB-RBUKOAKNSA-N 2 0 345.531 2.587 20 30 EFEDRP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266089 718486850 /nfs/dbraw/zinc/48/68/50/718486850.db2.gz IYRWOIUDXIOLPK-ZWKOTPCHSA-N 2 0 333.520 2.750 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260582 718488119 /nfs/dbraw/zinc/48/81/19/718488119.db2.gz YNDCDUYOSJPVOX-RBUKOAKNSA-N 2 0 345.531 2.730 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981270624 718583140 /nfs/dbraw/zinc/58/31/40/718583140.db2.gz JCNWQAJZGHJGAA-LSDHHAIUSA-N 2 0 327.900 2.630 20 30 EFEDRP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000981434622 718712136 /nfs/dbraw/zinc/71/21/36/718712136.db2.gz VYVVZIPLTMVEBJ-IRXDYDNUSA-N 2 0 341.927 2.876 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094450 718727482 /nfs/dbraw/zinc/72/74/82/718727482.db2.gz ZVAUIKTUTBUMSA-RTBURBONSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028094449 718727588 /nfs/dbraw/zinc/72/75/88/718727588.db2.gz ZVAUIKTUTBUMSA-RBUKOAKNSA-N 2 0 333.520 2.940 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000981538716 718797748 /nfs/dbraw/zinc/79/77/48/718797748.db2.gz RQNSTHIJVQPUOC-RTBURBONSA-N 2 0 329.488 2.955 20 30 EFEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C2)C1 ZINC000981768919 719027790 /nfs/dbraw/zinc/02/77/90/719027790.db2.gz VJWCJIJAWZDBMD-SFHVURJKSA-N 2 0 345.531 2.751 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981769147 719029122 /nfs/dbraw/zinc/02/91/22/719029122.db2.gz ZIHVJNFFSPSDOB-UHFFFAOYSA-N 2 0 333.520 2.751 20 30 EFEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC000981798999 719052064 /nfs/dbraw/zinc/05/20/64/719052064.db2.gz FBLMUEBSBMFVFZ-UHFFFAOYSA-N 2 0 347.528 2.924 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516282 719052989 /nfs/dbraw/zinc/05/29/89/719052989.db2.gz RCHYWTKQHSOEQE-CVEARBPZSA-N 2 0 333.476 2.748 20 30 EFEDRP C=CCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981813984 719062815 /nfs/dbraw/zinc/06/28/15/719062815.db2.gz TWDUFRISPGESLZ-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000981810318 719070991 /nfs/dbraw/zinc/07/09/91/719070991.db2.gz YJQWGARKOSKFGZ-LJQANCHMSA-N 2 0 333.520 2.894 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528132 719071645 /nfs/dbraw/zinc/07/16/45/719071645.db2.gz QKCJLMPYOWQLAV-FXAWDEMLSA-N 2 0 343.515 2.807 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025528135 719071880 /nfs/dbraw/zinc/07/18/80/719071880.db2.gz QKCJLMPYOWQLAV-YLJYHZDGSA-N 2 0 343.515 2.807 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981822863 719090704 /nfs/dbraw/zinc/09/07/04/719090704.db2.gz VEMBDEKYUNDYMJ-GOSISDBHSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138605 719117863 /nfs/dbraw/zinc/11/78/63/719117863.db2.gz ZLTYEFBLLFIIIA-HXUWFJFHSA-N 2 0 343.515 2.951 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000981842020 719118805 /nfs/dbraw/zinc/11/88/05/719118805.db2.gz RMFVTYWYDDQZFT-UHFFFAOYSA-N 2 0 343.471 2.523 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025590769 719176186 /nfs/dbraw/zinc/17/61/86/719176186.db2.gz RJIZKPOQINORRR-XLIONFOSSA-N 2 0 347.547 2.901 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@]2(C)C1 ZINC000982472897 719179260 /nfs/dbraw/zinc/17/92/60/719179260.db2.gz OTYGNCVGOHOHJC-NRSPTQNISA-N 2 0 347.547 2.855 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627683 719248705 /nfs/dbraw/zinc/24/87/05/719248705.db2.gz AWVSEDNQSOKNPZ-UYAOXDASSA-N 2 0 347.547 2.594 20 30 EFEDRP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630941 719258686 /nfs/dbraw/zinc/25/86/86/719258686.db2.gz XDEVIKGXTILSIX-ROUUACIJSA-N 2 0 341.499 2.602 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203504 719456849 /nfs/dbraw/zinc/45/68/49/719456849.db2.gz VWSUUDFIQLKQEQ-IBGZPJMESA-N 2 0 329.488 2.909 20 30 EFEDRP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC000982052439 719506901 /nfs/dbraw/zinc/50/69/01/719506901.db2.gz KHWSHIPOJBAWIH-SFHVURJKSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062732 719517172 /nfs/dbraw/zinc/51/71/72/719517172.db2.gz CZZHUOYCHKZQER-MSOLQXFVSA-N 2 0 331.504 2.504 20 30 EFEDRP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110807 719569561 /nfs/dbraw/zinc/56/95/61/719569561.db2.gz ZVBTULUAZMBUKY-LJQANCHMSA-N 2 0 345.531 2.589 20 30 EFEDRP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162324 719606881 /nfs/dbraw/zinc/60/68/81/719606881.db2.gz OHHRNGUIKHOJLQ-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC000982163701 719608854 /nfs/dbraw/zinc/60/88/54/719608854.db2.gz PIUVCWKWCRYXFL-SFHVURJKSA-N 2 0 333.520 2.751 20 30 EFEDRP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](c3ccccc3)N(C)C)C2)C1 ZINC000982164557 719609375 /nfs/dbraw/zinc/60/93/75/719609375.db2.gz QXRRRANZZYLREF-IBGZPJMESA-N 2 0 341.499 2.790 20 30 EFEDRP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982280578 719790039 /nfs/dbraw/zinc/79/00/39/719790039.db2.gz BQJBRYOPSIDRQV-BGYRXZFFSA-N 2 0 333.520 2.607 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@]2(C)C1 ZINC000982295390 719836431 /nfs/dbraw/zinc/83/64/31/719836431.db2.gz SFIYFQNGFYIMSM-SESVDKBCSA-N 2 0 347.547 2.711 20 30 EFEDRP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@@]2(C)C1 ZINC000982296380 719837745 /nfs/dbraw/zinc/83/77/45/719837745.db2.gz RLSDEFDZJMGYTN-NRSPTQNISA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982296544 719844478 /nfs/dbraw/zinc/84/44/78/719844478.db2.gz UODLMERLPQEUBF-SESVDKBCSA-N 2 0 347.547 2.996 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982299569 719851648 /nfs/dbraw/zinc/85/16/48/719851648.db2.gz IWQITNIJJKIWCY-SESVDKBCSA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982299568 719851975 /nfs/dbraw/zinc/85/19/75/719851975.db2.gz IWQITNIJJKIWCY-NRSPTQNISA-N 2 0 347.547 2.997 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@]2(C)C1 ZINC000982305260 719868648 /nfs/dbraw/zinc/86/86/48/719868648.db2.gz QCWVWQLCTZHSPZ-BGYRXZFFSA-N 2 0 345.531 2.609 20 30 EFEDRP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306337 719874775 /nfs/dbraw/zinc/87/47/75/719874775.db2.gz PQRFDRYTEPXNLM-JYAXBFRTSA-N 2 0 345.531 2.750 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@@]2(C)C1 ZINC000982306480 719875346 /nfs/dbraw/zinc/87/53/46/719875346.db2.gz RYYMAVJFJPIIGN-JYRKZWEQSA-N 2 0 345.531 2.750 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@]2(C)C1 ZINC000982320302 719899274 /nfs/dbraw/zinc/89/92/74/719899274.db2.gz CXXKCJLAPLVDRE-OYRHEFFESA-N 2 0 347.547 2.996 20 30 EFEDRP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@@]2(C)C1 ZINC000982333137 719919142 /nfs/dbraw/zinc/91/91/42/719919142.db2.gz SUCRJIONVKBCIO-SESVDKBCSA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982402468 720016614 /nfs/dbraw/zinc/01/66/14/720016614.db2.gz PXEGLMRTSOWYCH-NRSPTQNISA-N 2 0 345.531 2.607 20 30 EFEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]12 ZINC001026313144 720212754 /nfs/dbraw/zinc/21/27/54/720212754.db2.gz HPVAAOIEHYOTIY-KBRIMQKVSA-N 2 0 344.846 2.527 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343795 720398559 /nfs/dbraw/zinc/39/85/59/720398559.db2.gz RUGKKQSXVLSYQO-INIZCTEOSA-N 2 0 333.476 2.892 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001026397564 720485651 /nfs/dbraw/zinc/48/56/51/720485651.db2.gz FUYNBXYTCVJSCG-XUVXKRRUSA-N 2 0 345.531 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)o3)C[C@H]21 ZINC001026429004 720562611 /nfs/dbraw/zinc/56/26/11/720562611.db2.gz QAFFEBARGHNGGV-CGTJXYLNSA-N 2 0 345.487 2.748 20 30 EFEDRP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001026547603 720731478 /nfs/dbraw/zinc/73/14/78/720731478.db2.gz RYRCILVMDGJMLY-GTPINHCMSA-N 2 0 341.927 2.878 20 30 EFEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001026612173 720815000 /nfs/dbraw/zinc/81/50/00/720815000.db2.gz ZAWPFQVGPCXTAS-UHFFFAOYSA-N 2 0 333.476 2.938 20 30 EFEDRP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982623388 720958695 /nfs/dbraw/zinc/95/86/95/720958695.db2.gz GUGVEZSFSSIFNO-RLLQIKCJSA-N 2 0 333.520 2.606 20 30 EFEDRP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@]2(C)C1 ZINC000982694081 721094528 /nfs/dbraw/zinc/09/45/28/721094528.db2.gz IWCQUFKFQCYMHV-OYRHEFFESA-N 2 0 347.547 2.853 20 30 EFEDRP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974749182 721385546 /nfs/dbraw/zinc/38/55/46/721385546.db2.gz YKCXEBFFSGLAKJ-KRWDZBQOSA-N 2 0 326.444 2.659 20 30 EFEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862406 721484109 /nfs/dbraw/zinc/48/41/09/721484109.db2.gz KAPAYQNZGPADCX-ROUUACIJSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028756018 721937800 /nfs/dbraw/zinc/93/78/00/721937800.db2.gz ZFBSIRYPTVJJIT-MJGOQNOKSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028801669 722005056 /nfs/dbraw/zinc/00/50/56/722005056.db2.gz BFTKWCKMSIFLNG-IBGZPJMESA-N 2 0 343.515 2.809 20 30 EFEDRP C=C(Cl)CN1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872611 722064483 /nfs/dbraw/zinc/06/44/83/722064483.db2.gz HGDSFUZKBQGBQN-MRXNPFEDSA-N 2 0 335.879 2.552 20 30 EFEDRP N#CCCOCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000339058551 723309071 /nfs/dbraw/zinc/30/90/71/723309071.db2.gz VAWPDJNIBFTRFT-UHFFFAOYSA-N 2 0 327.472 2.905 20 30 EFEDRP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009024 725459855 /nfs/dbraw/zinc/45/98/55/725459855.db2.gz FIOLDUJAUATEAY-WSTZPKSXSA-N 2 0 331.504 2.550 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000992009493 725460129 /nfs/dbraw/zinc/46/01/29/725460129.db2.gz HPOYLDDJLOIEPD-QKNQBKEWSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000992009496 725460231 /nfs/dbraw/zinc/46/02/31/725460231.db2.gz HPOYLDDJLOIEPD-SFHLNBCPSA-N 2 0 345.531 2.940 20 30 EFEDRP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+](CCC)C3)CCC[C@H]12 ZINC000992146561 725562681 /nfs/dbraw/zinc/56/26/81/725562681.db2.gz HKQIJDVKDILVOZ-WSTZPKSXSA-N 2 0 333.520 2.798 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC000992694186 726115399 /nfs/dbraw/zinc/11/53/99/726115399.db2.gz RGPUSHSQQPQQGO-FGTMMUONSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC000992724431 726137613 /nfs/dbraw/zinc/13/76/13/726137613.db2.gz CQWGOPBUMHXIHI-CEXWTWQISA-N 2 0 345.531 2.655 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC000992747776 726164291 /nfs/dbraw/zinc/16/42/91/726164291.db2.gz ZNJYJHMFZJDJAW-KFKAGJAMSA-N 2 0 338.455 2.659 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC000992747780 726164341 /nfs/dbraw/zinc/16/43/41/726164341.db2.gz ZNJYJHMFZJDJAW-ZYSHUDEJSA-N 2 0 338.455 2.659 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000992770793 726199261 /nfs/dbraw/zinc/19/92/61/726199261.db2.gz MRPXGFPCVWAKKF-ZYSHUDEJSA-N 2 0 338.455 2.741 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992815741 726252866 /nfs/dbraw/zinc/25/28/66/726252866.db2.gz KRNLMYZCFHKDGM-KZNAEPCWSA-N 2 0 333.520 2.511 20 30 EFEDRP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992839165 726291881 /nfs/dbraw/zinc/29/18/81/726291881.db2.gz UNOZZVSPZOKXCM-GBESFXJTSA-N 2 0 333.520 2.511 20 30 EFEDRP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@@H]21 ZINC000992929052 726344654 /nfs/dbraw/zinc/34/46/54/726344654.db2.gz DPQVKIGZOHMYHB-YSIASYRMSA-N 2 0 341.499 2.765 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480557 727288529 /nfs/dbraw/zinc/28/85/29/727288529.db2.gz PNMYJCWKHZEQTB-QZTJIDSGSA-N 2 0 333.520 2.798 20 30 EFEDRP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535366 727300235 /nfs/dbraw/zinc/30/02/35/727300235.db2.gz JKSXWGBMPPOLIQ-CRAIPNDOSA-N 2 0 326.444 2.883 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993621307 727329236 /nfs/dbraw/zinc/32/92/36/727329236.db2.gz JTXYFFLMQPUUEC-VQIMIIECSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993621303 727329349 /nfs/dbraw/zinc/32/93/49/727329349.db2.gz JTXYFFLMQPUUEC-LPHOPBHVSA-N 2 0 329.488 2.559 20 30 EFEDRP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630182 727348601 /nfs/dbraw/zinc/34/86/01/727348601.db2.gz KLNDHFGPJHOZAJ-PXNSSMCTSA-N 2 0 343.515 2.950 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993811540 727527998 /nfs/dbraw/zinc/52/79/98/727527998.db2.gz ZJYFEYZCGJRWDF-FXAWDEMLSA-N 2 0 343.515 2.950 20 30 EFEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993825291 727531327 /nfs/dbraw/zinc/53/13/27/727531327.db2.gz NHZGJMZEUGXHDI-APWZRJJASA-N 2 0 329.488 2.559 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994007547 727579182 /nfs/dbraw/zinc/57/91/82/727579182.db2.gz PMIJKUVITKADQR-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994203254 727622264 /nfs/dbraw/zinc/62/22/64/727622264.db2.gz KSLOOBPBRXTSSP-APWZRJJASA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994203257 727622478 /nfs/dbraw/zinc/62/24/78/727622478.db2.gz KSLOOBPBRXTSSP-QFBILLFUSA-N 2 0 333.520 2.654 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994463813 727760805 /nfs/dbraw/zinc/76/08/05/727760805.db2.gz MKXFQWXCLGOGJL-VQIMIIECSA-N 2 0 329.488 2.907 20 30 EFEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994463812 727760844 /nfs/dbraw/zinc/76/08/44/727760844.db2.gz MKXFQWXCLGOGJL-QFBILLFUSA-N 2 0 329.488 2.907 20 30 EFEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC000994471528 727762377 /nfs/dbraw/zinc/76/23/77/727762377.db2.gz LGFOVAHEIDDLTM-DOTOQJQBSA-N 2 0 333.476 2.890 20 30 EFEDRP C=CC[N@H+](CC(=O)N1CCN(Cc2ccccc2C)CC1)C(C)C ZINC000917069054 727763866 /nfs/dbraw/zinc/76/38/66/727763866.db2.gz FLABDAYCZFOYNB-UHFFFAOYSA-N 2 0 329.488 2.536 20 30 EFEDRP C=CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000917069052 727763874 /nfs/dbraw/zinc/76/38/74/727763874.db2.gz FHACOPDMKJYJPZ-UHFFFAOYSA-N 2 0 343.515 2.972 20 30 EFEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493679 727770725 /nfs/dbraw/zinc/77/07/25/727770725.db2.gz FCIVEUSHRQDTFL-PXNSSMCTSA-N 2 0 347.547 2.737 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817929 727792834 /nfs/dbraw/zinc/79/28/34/727792834.db2.gz XLDCKYXGHQCKHF-LJQANCHMSA-N 2 0 347.547 2.999 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991468470 727877822 /nfs/dbraw/zinc/87/78/22/727877822.db2.gz CDIUPGBPIMTEJP-UYAOXDASSA-N 2 0 338.455 2.946 20 30 EFEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000157390508 728142560 /nfs/dbraw/zinc/14/25/60/728142560.db2.gz VVHYWKIWQTWXSC-OAHLLOKOSA-N 2 0 348.491 2.798 20 30 EFEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942102492 728297712 /nfs/dbraw/zinc/29/77/12/728297712.db2.gz ZNVMWIKUAKEJEQ-ZBFHGGJFSA-N 2 0 335.517 2.826 20 30 EFEDRP C=CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040947953 728304728 /nfs/dbraw/zinc/30/47/28/728304728.db2.gz JORYXVIEXTZOEO-QZTJIDSGSA-N 2 0 333.520 2.750 20 30 EFEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205686 728366315 /nfs/dbraw/zinc/36/63/15/728366315.db2.gz VQLVWXJAVRFECW-KBXCAEBGSA-N 2 0 326.444 2.659 20 30 EFEDRP C[C@H]1CCCN(C(=[NH2+])NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170910642 728494441 /nfs/dbraw/zinc/49/44/41/728494441.db2.gz HSAQXKHKJPXXDD-KRWDZBQOSA-N 2 0 328.504 2.945 20 30 EFEDRP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001040911574 729105966 /nfs/dbraw/zinc/10/59/66/729105966.db2.gz GABLJTKIWSWZLX-ROUUACIJSA-N 2 0 333.520 2.607 20 30 EFEDRP