smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643654 751601390 /nfs/dbraw/zinc/60/13/90/751601390.db2.gz FKBZVUDXKHYUDM-HUUCEWRRSA-N 1 3 322.453 0.233 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643654 751601396 /nfs/dbraw/zinc/60/13/96/751601396.db2.gz FKBZVUDXKHYUDM-HUUCEWRRSA-N 1 3 322.453 0.233 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255577 751068210 /nfs/dbraw/zinc/06/82/10/751068210.db2.gz YMYZYEAOVXQQKU-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705241 751238118 /nfs/dbraw/zinc/23/81/18/751238118.db2.gz YKJGBMZQLWOGEU-ZIAGYGMSSA-N 1 3 306.410 0.839 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001046850520 751298797 /nfs/dbraw/zinc/29/87/97/751298797.db2.gz VLNMXLUASQARKF-YOEHRIQHSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001046850520 751298800 /nfs/dbraw/zinc/29/88/00/751298800.db2.gz VLNMXLUASQARKF-YOEHRIQHSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001045444411 753196788 /nfs/dbraw/zinc/19/67/88/753196788.db2.gz MUXPEXFWYNGVMV-HZPDHXFCSA-N 1 3 319.449 0.844 20 30 DCEDHO C#CCN1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064486 753458204 /nfs/dbraw/zinc/45/82/04/753458204.db2.gz OHQUCMKJEBXJAM-SJORKVTESA-N 1 3 318.465 0.180 20 30 DCEDHO C#CCN1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064486 753458209 /nfs/dbraw/zinc/45/82/09/753458209.db2.gz OHQUCMKJEBXJAM-SJORKVTESA-N 1 3 318.465 0.180 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082549 753472315 /nfs/dbraw/zinc/47/23/15/753472315.db2.gz UFBZNGVHUTYSLW-QGZVFWFLSA-N 1 3 320.481 0.877 20 30 DCEDHO C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082549 753472319 /nfs/dbraw/zinc/47/23/19/753472319.db2.gz UFBZNGVHUTYSLW-QGZVFWFLSA-N 1 3 320.481 0.877 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001046849058 753977666 /nfs/dbraw/zinc/97/76/66/753977666.db2.gz AHWJBKFRVZWERV-MAUKXSAKSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001046849058 753977673 /nfs/dbraw/zinc/97/76/73/753977673.db2.gz AHWJBKFRVZWERV-MAUKXSAKSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@@H]2C1 ZINC001048818228 754958845 /nfs/dbraw/zinc/95/88/45/754958845.db2.gz GKTQDWMEMHPGHQ-MWDXBVQZSA-N 1 3 301.434 0.884 20 30 DCEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@@H]2C1 ZINC001048818228 754958848 /nfs/dbraw/zinc/95/88/48/754958848.db2.gz GKTQDWMEMHPGHQ-MWDXBVQZSA-N 1 3 301.434 0.884 20 30 DCEDHO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833952 754967974 /nfs/dbraw/zinc/96/79/74/754967974.db2.gz WBIRQEZWVQUZPH-YYIAUSFCSA-N 1 3 317.433 0.263 20 30 DCEDHO C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833952 754967977 /nfs/dbraw/zinc/96/79/77/754967977.db2.gz WBIRQEZWVQUZPH-YYIAUSFCSA-N 1 3 317.433 0.263 20 30 DCEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834131 754968071 /nfs/dbraw/zinc/96/80/71/754968071.db2.gz ZVCOMEPLZCFEFL-QKPAOTATSA-N 1 3 305.422 0.426 20 30 DCEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834131 754968075 /nfs/dbraw/zinc/96/80/75/754968075.db2.gz ZVCOMEPLZCFEFL-QKPAOTATSA-N 1 3 305.422 0.426 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC001052953706 755884256 /nfs/dbraw/zinc/88/42/56/755884256.db2.gz GNDGHZIUCRMLLL-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCO)CC2)CC1 ZINC001052953706 755884260 /nfs/dbraw/zinc/88/42/60/755884260.db2.gz GNDGHZIUCRMLLL-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCN(CC#C)CC2)C1 ZINC001080998364 756417816 /nfs/dbraw/zinc/41/78/16/756417816.db2.gz ZDHPCMOBZZCPPX-NVXWUHKLSA-N 1 3 301.434 0.791 20 30 DCEDHO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCN(CC#C)CC2)C1 ZINC001080998364 756417821 /nfs/dbraw/zinc/41/78/21/756417821.db2.gz ZDHPCMOBZZCPPX-NVXWUHKLSA-N 1 3 301.434 0.791 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001050208140 757488951 /nfs/dbraw/zinc/48/89/51/757488951.db2.gz CHWJHNBDTDRQGP-DLBZAZTESA-N 1 3 319.449 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001050208140 757488956 /nfs/dbraw/zinc/48/89/56/757488956.db2.gz CHWJHNBDTDRQGP-DLBZAZTESA-N 1 3 319.449 0.247 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183170 757561090 /nfs/dbraw/zinc/56/10/90/757561090.db2.gz RARNFHNWHJYYKA-JKSUJKDBSA-N 1 3 307.438 0.816 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086984595 768110125 /nfs/dbraw/zinc/11/01/25/768110125.db2.gz UEZOUVAQNCPIBI-ARFHVFGLSA-N 1 3 319.453 0.830 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678181 763719107 /nfs/dbraw/zinc/71/91/07/763719107.db2.gz BXAFBMMHTVTUFJ-NFOMZHRRSA-N 1 3 322.453 0.115 20 30 DCEDHO C=CCOCC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100920871 763857229 /nfs/dbraw/zinc/85/72/29/763857229.db2.gz FTPBFVWSSHVTMF-UHFFFAOYSA-N 1 3 306.410 0.948 20 30 DCEDHO COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460759 764103131 /nfs/dbraw/zinc/10/31/31/764103131.db2.gz WCEUWKRGAHVFGY-JZXOWHBKSA-N 1 3 319.449 0.368 20 30 DCEDHO COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460759 764103132 /nfs/dbraw/zinc/10/31/32/764103132.db2.gz WCEUWKRGAHVFGY-JZXOWHBKSA-N 1 3 319.449 0.368 20 30 DCEDHO C=CC[N@@H+](CCO)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001098478759 764333628 /nfs/dbraw/zinc/33/36/28/764333628.db2.gz CJAIKGOHQRQGPT-HNNXBMFYSA-N 1 3 309.454 0.942 20 30 DCEDHO C=CC[N@H+](CCO)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001098478759 764333631 /nfs/dbraw/zinc/33/36/31/764333631.db2.gz CJAIKGOHQRQGPT-HNNXBMFYSA-N 1 3 309.454 0.942 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)C[C@@H]2O)CC1 ZINC001090830877 766649386 /nfs/dbraw/zinc/64/93/86/766649386.db2.gz QDYQWSVSYNJVDP-HOTGVXAUSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC)C[C@@H]2O)CC1 ZINC001090830877 766649391 /nfs/dbraw/zinc/64/93/91/766649391.db2.gz QDYQWSVSYNJVDP-HOTGVXAUSA-N 1 3 307.438 0.293 20 30 DCEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099880057 767481746 /nfs/dbraw/zinc/48/17/46/767481746.db2.gz URGORNUFDKUORS-HOTGVXAUSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099880057 767481752 /nfs/dbraw/zinc/48/17/52/767481752.db2.gz URGORNUFDKUORS-HOTGVXAUSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1 ZINC001093223947 768502014 /nfs/dbraw/zinc/50/20/14/768502014.db2.gz JWNLVFSBBSESLO-GDBMZVCRSA-N 1 3 307.438 0.008 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2C)CC1 ZINC001093223947 768502019 /nfs/dbraw/zinc/50/20/19/768502019.db2.gz JWNLVFSBBSESLO-GDBMZVCRSA-N 1 3 307.438 0.008 20 30 DCEDHO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001151049713 769245072 /nfs/dbraw/zinc/24/50/72/769245072.db2.gz WXUHLYDRZBTOMY-CQSZACIVSA-N 1 3 304.369 0.855 20 30 DCEDHO C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001151049713 769245082 /nfs/dbraw/zinc/24/50/82/769245082.db2.gz WXUHLYDRZBTOMY-CQSZACIVSA-N 1 3 304.369 0.855 20 30 DCEDHO C=C(Br)CNCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072386 770012269 /nfs/dbraw/zinc/01/22/69/770012269.db2.gz RTDXAUBDUBTNIT-NSHDSACASA-N 1 3 304.232 0.943 20 30 DCEDHO C=C(Br)CNCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072386 770012275 /nfs/dbraw/zinc/01/22/75/770012275.db2.gz RTDXAUBDUBTNIT-NSHDSACASA-N 1 3 304.232 0.943 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@H]2CCCOC2)CC1 ZINC001176926825 770227515 /nfs/dbraw/zinc/22/75/15/770227515.db2.gz WPFHUAFSTRFVLZ-MRXNPFEDSA-N 1 3 321.465 0.854 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902326 770899240 /nfs/dbraw/zinc/89/92/40/770899240.db2.gz LLLNROLDKQKBCC-ZFWWWQNUSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265638 771894762 /nfs/dbraw/zinc/89/47/62/771894762.db2.gz ROLNANWFUPEDMR-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185454687 771917354 /nfs/dbraw/zinc/91/73/54/771917354.db2.gz BTQYMFRNMUFMQK-RBSFLKMASA-N 1 3 324.469 0.454 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166743991 772855174 /nfs/dbraw/zinc/85/51/74/772855174.db2.gz BYGLFJWNCYOYGR-CQSZACIVSA-N 1 3 324.469 0.505 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193902428 773127071 /nfs/dbraw/zinc/12/70/71/773127071.db2.gz RPKKJIIVYMUBGM-BZUAXINKSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193902428 773127074 /nfs/dbraw/zinc/12/70/74/773127074.db2.gz RPKKJIIVYMUBGM-BZUAXINKSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298935 773171880 /nfs/dbraw/zinc/17/18/80/773171880.db2.gz NSAQILSLPCTOJJ-HZPDHXFCSA-N 1 3 318.421 0.645 20 30 DCEDHO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001207550793 773235285 /nfs/dbraw/zinc/23/52/85/773235285.db2.gz JNADRDRVSYVXOM-FVQBIDKESA-N 1 3 309.454 0.966 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001207550793 773235293 /nfs/dbraw/zinc/23/52/93/773235293.db2.gz JNADRDRVSYVXOM-FVQBIDKESA-N 1 3 309.454 0.966 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070684 773394919 /nfs/dbraw/zinc/39/49/19/773394919.db2.gz QBMFWNDNRITHQK-QLFBSQMISA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070684 773394926 /nfs/dbraw/zinc/39/49/26/773394926.db2.gz QBMFWNDNRITHQK-QLFBSQMISA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640018 773509814 /nfs/dbraw/zinc/50/98/14/773509814.db2.gz XLLVPNMBZWLEJF-BNQMIIOLSA-N 1 3 317.433 0.454 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314020 773590114 /nfs/dbraw/zinc/59/01/14/773590114.db2.gz GNAUFACYNUYGQZ-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210812398 773741836 /nfs/dbraw/zinc/74/18/36/773741836.db2.gz ZHIGZKDFGIIPER-CABCVRRESA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215539999 774081717 /nfs/dbraw/zinc/08/17/17/774081717.db2.gz GERCFTFSUKVHOW-ARFHVFGLSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215993873 774097026 /nfs/dbraw/zinc/09/70/26/774097026.db2.gz GHUSWRMVYFJIOD-ZIAGYGMSSA-N 1 3 310.442 0.067 20 30 DCEDHO N#Cc1c(NC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)sc2c1CCNC2 ZINC001218552186 774244961 /nfs/dbraw/zinc/24/49/61/774244961.db2.gz CNAWVYFJOPVUOM-XLKFXECMSA-N 1 3 304.375 0.335 20 30 DCEDHO N#Cc1c(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)sc2c1CCNC2 ZINC001218552684 774246323 /nfs/dbraw/zinc/24/63/23/774246323.db2.gz JGGYKAUONCKHRR-VFZGTOFNSA-N 1 3 317.418 0.155 20 30 DCEDHO C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032014 774351569 /nfs/dbraw/zinc/35/15/69/774351569.db2.gz MRJZWJPIWSRLDH-OWCLPIDISA-N 1 3 307.438 0.816 20 30 DCEDHO C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001219032014 774351574 /nfs/dbraw/zinc/35/15/74/774351574.db2.gz MRJZWJPIWSRLDH-OWCLPIDISA-N 1 3 307.438 0.816 20 30 DCEDHO COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219107315 774373000 /nfs/dbraw/zinc/37/30/00/774373000.db2.gz BJCCQWDYESCHBV-JTQLQIEISA-N 1 3 304.325 0.453 20 30 DCEDHO C#CCC[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200658322 774392521 /nfs/dbraw/zinc/39/25/21/774392521.db2.gz KQKXXXAADIKWFR-JKSUJKDBSA-N 1 3 305.422 0.454 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053024 774445405 /nfs/dbraw/zinc/44/54/05/774445405.db2.gz IZFXXHNKCFYONI-INIZCTEOSA-N 1 3 307.438 0.557 20 30 DCEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@H](C)C2)CCCO1 ZINC001201405071 774502219 /nfs/dbraw/zinc/50/22/19/774502219.db2.gz ZUYVKXQKCXOLOJ-HOTGVXAUSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCCO1 ZINC001201419926 774507224 /nfs/dbraw/zinc/50/72/24/774507224.db2.gz HZDIDRMARRAROB-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202133611 774605196 /nfs/dbraw/zinc/60/51/96/774605196.db2.gz HDPVSMUMGPFDEB-MRXNPFEDSA-N 1 3 307.438 0.703 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317598019 945097648 /nfs/dbraw/zinc/09/76/48/945097648.db2.gz DUKUAKYPWATELP-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317598019 945097656 /nfs/dbraw/zinc/09/76/56/945097656.db2.gz DUKUAKYPWATELP-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001266854444 939255309 /nfs/dbraw/zinc/25/53/09/939255309.db2.gz OSXCFJYDWRCJEU-UHFFFAOYSA-N 1 3 310.442 0.069 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481099416 939560094 /nfs/dbraw/zinc/56/00/94/939560094.db2.gz FCWHSGRCQFLIBM-INIZCTEOSA-N 1 3 319.449 0.703 20 30 DCEDHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CC#CCOC ZINC001267805600 939686457 /nfs/dbraw/zinc/68/64/57/939686457.db2.gz QZBSOOVHMKPMHV-JKSUJKDBSA-N 1 3 309.454 0.993 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001268068349 939923427 /nfs/dbraw/zinc/92/34/27/939923427.db2.gz LJPKWOGCHMMSMX-KBPBESRZSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094429 939944281 /nfs/dbraw/zinc/94/42/81/939944281.db2.gz OHFBSCRKFRLMSI-KGLIPLIRSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268094429 939944285 /nfs/dbraw/zinc/94/42/85/939944285.db2.gz OHFBSCRKFRLMSI-KGLIPLIRSA-N 1 3 310.442 0.067 20 30 DCEDHO COCC#CCNC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268553816 940231641 /nfs/dbraw/zinc/23/16/41/940231641.db2.gz YIBZEPSXVCNAHQ-CWDCEQMOSA-N 1 3 307.438 0.773 20 30 DCEDHO COCC#CCNC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268553816 940231645 /nfs/dbraw/zinc/23/16/45/940231645.db2.gz YIBZEPSXVCNAHQ-CWDCEQMOSA-N 1 3 307.438 0.773 20 30 DCEDHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]C[C@H]2CCOC2)CC1 ZINC001268630512 940308463 /nfs/dbraw/zinc/30/84/63/940308463.db2.gz LYEAWYLIYSDVND-QDLOVBKTSA-N 1 3 319.449 0.630 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001270258899 940867000 /nfs/dbraw/zinc/86/70/00/940867000.db2.gz HOZSFIIXLBRVGB-HZPDHXFCSA-N 1 3 309.454 0.803 20 30 DCEDHO C=C(C)CN1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484224004 943218074 /nfs/dbraw/zinc/21/80/74/943218074.db2.gz PXSOIPXZPSPRNZ-WBVHZDCISA-N 1 3 309.454 0.990 20 30 DCEDHO C=C(C)CN1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484224004 943218078 /nfs/dbraw/zinc/21/80/78/943218078.db2.gz PXSOIPXZPSPRNZ-WBVHZDCISA-N 1 3 309.454 0.990 20 30 DCEDHO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001484240249 943244248 /nfs/dbraw/zinc/24/42/48/943244248.db2.gz AHFKFQPYYCLMRN-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001484240249 943244251 /nfs/dbraw/zinc/24/42/51/943244251.db2.gz AHFKFQPYYCLMRN-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO COCC#CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001484887163 943613626 /nfs/dbraw/zinc/61/36/26/943613626.db2.gz FVRPHPNKRCFUMN-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001485814175 944161464 /nfs/dbraw/zinc/16/14/64/944161464.db2.gz QCRQDJNSXAZBJA-QGZVFWFLSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CN(C)CCC)CC2 ZINC001276928156 944596853 /nfs/dbraw/zinc/59/68/53/944596853.db2.gz JPELCEPULKYXNG-INIZCTEOSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317005086 944734963 /nfs/dbraw/zinc/73/49/63/944734963.db2.gz DWYBNIUYGUBVLF-JKSUJKDBSA-N 1 3 319.449 0.559 20 30 DCEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317005086 944734970 /nfs/dbraw/zinc/73/49/70/944734970.db2.gz DWYBNIUYGUBVLF-JKSUJKDBSA-N 1 3 319.449 0.559 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001317416294 944961455 /nfs/dbraw/zinc/96/14/55/944961455.db2.gz TWBQWVHXCDWLPF-HUUCEWRRSA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001319124930 945502796 /nfs/dbraw/zinc/50/27/96/945502796.db2.gz ZXDHROAOTIENHC-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319526792 945611415 /nfs/dbraw/zinc/61/14/15/945611415.db2.gz ZBSBVSZAESKOKT-KBPBESRZSA-N 1 3 324.469 0.455 20 30 DCEDHO C=C[C@](C)(O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252546777 945957538 /nfs/dbraw/zinc/95/75/38/945957538.db2.gz AUGGAJSLVYMETO-SFHVURJKSA-N 1 3 319.449 0.748 20 30 DCEDHO C=C[C@](C)(O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252546777 945957546 /nfs/dbraw/zinc/95/75/46/945957546.db2.gz AUGGAJSLVYMETO-SFHVURJKSA-N 1 3 319.449 0.748 20 30 DCEDHO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001325100390 947651824 /nfs/dbraw/zinc/65/18/24/947651824.db2.gz ADPZROYSDADPMD-NVXWUHKLSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001325100390 947651831 /nfs/dbraw/zinc/65/18/31/947651831.db2.gz ADPZROYSDADPMD-NVXWUHKLSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001325102617 947654289 /nfs/dbraw/zinc/65/42/89/947654289.db2.gz RQSTVYHVJWOOGS-ZBFHGGJFSA-N 1 3 313.417 0.243 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001325102617 947654293 /nfs/dbraw/zinc/65/42/93/947654293.db2.gz RQSTVYHVJWOOGS-ZBFHGGJFSA-N 1 3 313.417 0.243 20 30 DCEDHO COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001326436356 948163355 /nfs/dbraw/zinc/16/33/55/948163355.db2.gz CLJOLSQHEJFPAW-INIZCTEOSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001264635341 949040038 /nfs/dbraw/zinc/04/00/38/949040038.db2.gz ZVASYPMFJZOQTK-HNNXBMFYSA-N 1 3 306.410 0.814 20 30 DCEDHO C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001264635341 949040054 /nfs/dbraw/zinc/04/00/54/949040054.db2.gz ZVASYPMFJZOQTK-HNNXBMFYSA-N 1 3 306.410 0.814 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCOC)[C@@H]2C)CC1 ZINC001264733575 949097736 /nfs/dbraw/zinc/09/77/36/949097736.db2.gz HXLIXQQSTSSSLQ-WBVHZDCISA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCOC)[C@@H]2C)CC1 ZINC001264733575 949097742 /nfs/dbraw/zinc/09/77/42/949097742.db2.gz HXLIXQQSTSSSLQ-WBVHZDCISA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCO)CC1 ZINC001489333796 949732184 /nfs/dbraw/zinc/73/21/84/949732184.db2.gz VIRXJMBKCLKIAS-KRWDZBQOSA-N 1 3 321.465 0.637 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CCO)CC1 ZINC001489333796 949732197 /nfs/dbraw/zinc/73/21/97/949732197.db2.gz VIRXJMBKCLKIAS-KRWDZBQOSA-N 1 3 321.465 0.637 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001265630870 949823994 /nfs/dbraw/zinc/82/39/94/949823994.db2.gz ROUDMCJOTHOWLE-GJZGRUSLSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001275039662 951940335 /nfs/dbraw/zinc/94/03/35/951940335.db2.gz WCSJGDFZTUJIRR-WBVHZDCISA-N 1 3 321.465 0.995 20 30 DCEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(C)CCN(C)CC2)CC1 ZINC001334169644 952252596 /nfs/dbraw/zinc/25/25/96/952252596.db2.gz XBPDDBNLMZMZTB-UHFFFAOYSA-N 1 3 323.485 0.526 20 30 DCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541943 953236859 /nfs/dbraw/zinc/23/68/59/953236859.db2.gz ZYINODXZIUFWNY-FQUUOJAGSA-N 1 3 322.409 0.064 20 30 DCEDHO C#CCCN1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001282834324 953689263 /nfs/dbraw/zinc/68/92/63/953689263.db2.gz UZKIUPDPYPEOLZ-INIZCTEOSA-N 1 3 321.465 0.947 20 30 DCEDHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)CCCCC#N)C[C@H]2[NH3+])cn1 ZINC001346493258 953902049 /nfs/dbraw/zinc/90/20/49/953902049.db2.gz PLZZHCIYOVRXDA-BFHYXJOUSA-N 1 3 304.398 0.084 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001491682053 959042702 /nfs/dbraw/zinc/04/27/02/959042702.db2.gz IGHUXNIESQPPSL-HUUCEWRRSA-N 1 3 307.438 0.462 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC#CC)[C@H]2C)CC1 ZINC001507300303 1016231529 /nfs/dbraw/zinc/23/15/29/1016231529.db2.gz ZMSOEDPBGWUZEJ-WBVHZDCISA-N 1 3 301.434 0.934 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920654 1018134656 /nfs/dbraw/zinc/13/46/56/1018134656.db2.gz IQDVVFKKSHTMLQ-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001500018696 1018174439 /nfs/dbraw/zinc/17/44/39/1018174439.db2.gz NAIDNLLEZUKNIC-CVEARBPZSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206345 1019163487 /nfs/dbraw/zinc/16/34/87/1019163487.db2.gz IIJFEPNLEXXLNL-ZIAGYGMSSA-N 1 3 322.453 0.209 20 30 DCEDHO CN(C)CCOc1ccc(CCNC(=[NH2+])N2CCOCC2)cc1 ZINC000264299339 238194794 /nfs/dbraw/zinc/19/47/94/238194794.db2.gz RJESHNZHYBNDPB-UHFFFAOYSA-N 1 3 320.437 0.816 20 30 DCEDHO C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073436484 396145858 /nfs/dbraw/zinc/14/58/58/396145858.db2.gz XRAIOLRGEIHNHG-AWEZNQCLSA-N 1 3 322.453 0.163 20 30 DCEDHO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051958966 415320300 /nfs/dbraw/zinc/32/03/00/415320300.db2.gz LYVPSOQMFCUSMS-OAHLLOKOSA-N 1 3 322.453 0.791 20 30 DCEDHO O[C@@H]1CC[C@@H]2C[N@@H+](CC#CCN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251018 /nfs/dbraw/zinc/25/10/18/416251018.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 1 3 304.434 0.395 20 30 DCEDHO O[C@@H]1CC[C@@H]2C[N@H+](CC#CCN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251021 /nfs/dbraw/zinc/25/10/21/416251021.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 1 3 304.434 0.395 20 30 DCEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251023 /nfs/dbraw/zinc/25/10/23/416251023.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 1 3 304.434 0.395 20 30 DCEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251026 /nfs/dbraw/zinc/25/10/26/416251026.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 1 3 304.434 0.395 20 30 DCEDHO C#CCNC(=O)CC[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000491639626 416608931 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CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001754024928 1188713884 /nfs/dbraw/zinc/71/38/84/1188713884.db2.gz ADZQUEYCAJOLIE-HOTGVXAUSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626551 747436648 /nfs/dbraw/zinc/43/66/48/747436648.db2.gz DCLUGJTXURICJP-INIZCTEOSA-N 1 3 309.454 0.995 20 30 DCEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275276 747680156 /nfs/dbraw/zinc/68/01/56/747680156.db2.gz WLAXLVCOJLKXQT-HRCADAONSA-N 1 3 307.438 0.816 20 30 DCEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275276 747680162 /nfs/dbraw/zinc/68/01/62/747680162.db2.gz WLAXLVCOJLKXQT-HRCADAONSA-N 1 3 307.438 0.816 20 30 DCEDHO C#CCN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153732 749260922 /nfs/dbraw/zinc/26/09/22/749260922.db2.gz IFRGWRNCOOOBOW-CVEARBPZSA-N 1 3 319.449 0.511 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)OC)[C@@H]2C)CC1 ZINC001089059334 750781958 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20 30 DCEDHO C=CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001128782640 754278850 /nfs/dbraw/zinc/27/88/50/754278850.db2.gz ADIWEILVURAKNJ-HUUCEWRRSA-N 1 3 322.453 0.354 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353256 755655653 /nfs/dbraw/zinc/65/56/53/755655653.db2.gz ABSHPIGZWDMRRA-CVEARBPZSA-N 1 3 319.449 0.437 20 30 DCEDHO C=C(C)CN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392452 757356724 /nfs/dbraw/zinc/35/67/24/757356724.db2.gz SORKAECRWLZTBF-HUUCEWRRSA-N 1 3 307.438 0.742 20 30 DCEDHO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052571525 759501202 /nfs/dbraw/zinc/50/12/02/759501202.db2.gz GWJAPHDUADYYRS-NDUQDZPOSA-N 1 3 317.433 0.454 20 30 DCEDHO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052571525 759501206 /nfs/dbraw/zinc/50/12/06/759501206.db2.gz GWJAPHDUADYYRS-NDUQDZPOSA-N 1 3 317.433 0.454 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155313725 759739715 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COCC#CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408144 763558157 /nfs/dbraw/zinc/55/81/57/763558157.db2.gz WNPZOCVOPRGEIE-BCLQGDPASA-N 1 3 307.438 0.461 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H](CC)[NH+](CC)CC)C1=O ZINC001133690757 765095493 /nfs/dbraw/zinc/09/54/93/765095493.db2.gz VPMVZHQPANYAHD-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867939 765194035 /nfs/dbraw/zinc/19/40/35/765194035.db2.gz YMBYYRMQQUBAOF-LSDHHAIUSA-N 1 3 322.453 0.091 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867939 765194036 /nfs/dbraw/zinc/19/40/36/765194036.db2.gz YMBYYRMQQUBAOF-LSDHHAIUSA-N 1 3 322.453 0.091 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135976213 766197488 /nfs/dbraw/zinc/19/74/88/766197488.db2.gz HWSSNVSISJADCX-ZIAGYGMSSA-N 1 3 312.458 0.503 20 30 DCEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099880058 767482402 /nfs/dbraw/zinc/48/24/02/767482402.db2.gz URGORNUFDKUORS-HZPDHXFCSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099880058 767482403 /nfs/dbraw/zinc/48/24/03/767482403.db2.gz URGORNUFDKUORS-HZPDHXFCSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCCN1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291138 769059424 /nfs/dbraw/zinc/05/94/24/769059424.db2.gz JMIVTHKOKPAWIS-JKSUJKDBSA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCCN1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606960 769137936 /nfs/dbraw/zinc/13/79/36/769137936.db2.gz MRHGXRJGLIUWII-INIZCTEOSA-N 1 3 309.454 0.949 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCCN2CC)C1=O ZINC001152457408 769563591 /nfs/dbraw/zinc/56/35/91/769563591.db2.gz DEYGLUAZOXOZSA-LSDHHAIUSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439797 771005698 /nfs/dbraw/zinc/00/56/98/771005698.db2.gz YXFOTXWYIPAMHV-KKUMJFAQSA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179744424 771010160 /nfs/dbraw/zinc/01/01/60/771010160.db2.gz PVOWCWWCXKLFDN-KKUMJFAQSA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179935327 771036719 /nfs/dbraw/zinc/03/67/19/771036719.db2.gz BJLYHVYEKJSMJB-ZNMIVQPWSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179935327 771036726 /nfs/dbraw/zinc/03/67/26/771036726.db2.gz BJLYHVYEKJSMJB-ZNMIVQPWSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN(C)CCC)C2)C1=O ZINC001187322637 772165699 /nfs/dbraw/zinc/16/56/99/772165699.db2.gz PPNOQBVUHRQMTM-CABCVRRESA-N 1 3 322.453 0.306 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187307121 772172516 /nfs/dbraw/zinc/17/25/16/772172516.db2.gz VLZJRMMKDDTIED-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187307121 772172519 /nfs/dbraw/zinc/17/25/19/772172519.db2.gz VLZJRMMKDDTIED-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890434 773121922 /nfs/dbraw/zinc/12/19/22/773121922.db2.gz RIUAKGDIGDLGJL-UHFFFAOYSA-N 1 3 324.469 0.459 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277413 773581538 /nfs/dbraw/zinc/58/15/38/773581538.db2.gz INBFYIVBHHAOFQ-AWEZNQCLSA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314309 773589773 /nfs/dbraw/zinc/58/97/73/773589773.db2.gz IECGUSJFMAIWGO-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447413 773605972 /nfs/dbraw/zinc/60/59/72/773605972.db2.gz ZZEFMQKHXVAPAO-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217472 773685723 /nfs/dbraw/zinc/68/57/23/773685723.db2.gz IXICCNHNZMYIQG-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO CC(=O)Nc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1C#N ZINC001218915234 774325790 /nfs/dbraw/zinc/32/57/90/774325790.db2.gz LIEPHBNAWPSCLS-HNNXBMFYSA-N 1 3 315.377 0.782 20 30 DCEDHO COc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219107316 774373977 /nfs/dbraw/zinc/37/39/77/774373977.db2.gz BJCCQWDYESCHBV-SNVBAGLBSA-N 1 3 304.325 0.453 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CCCO1 ZINC001200850487 774416304 /nfs/dbraw/zinc/41/63/04/774416304.db2.gz HQZFVXCEUXSEDI-OAHLLOKOSA-N 1 3 309.454 0.947 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309681 774485597 /nfs/dbraw/zinc/48/55/97/774485597.db2.gz SOLNZOKXWXDYEC-INIZCTEOSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C2CCN(CC#C)CC2)CCCO1 ZINC001202141436 774606076 /nfs/dbraw/zinc/60/60/76/774606076.db2.gz OXPXLLLJSHNOHC-KRWDZBQOSA-N 1 3 317.433 0.172 20 30 DCEDHO CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220898628 774947543 /nfs/dbraw/zinc/94/75/43/774947543.db2.gz QOQQOEGVHGIGBZ-RDBSUJKOSA-N 1 3 323.441 0.242 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](CC)N(C)C)C1=O ZINC001317626704 945125031 /nfs/dbraw/zinc/12/50/31/945125031.db2.gz DHCWNQCHGYRKDX-KGLIPLIRSA-N 1 3 310.442 0.162 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266802201 939240656 /nfs/dbraw/zinc/24/06/56/939240656.db2.gz XMDZDOIOKYYPBS-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967472 939292587 /nfs/dbraw/zinc/29/25/87/939292587.db2.gz GDSSOLJFVUTSBS-STQMWFEESA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094428 939944242 /nfs/dbraw/zinc/94/42/42/939944242.db2.gz OHFBSCRKFRLMSI-KBPBESRZSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268094428 939944248 /nfs/dbraw/zinc/94/42/48/939944248.db2.gz OHFBSCRKFRLMSI-KBPBESRZSA-N 1 3 310.442 0.067 20 30 DCEDHO COCC#CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001268220021 939994149 /nfs/dbraw/zinc/99/41/49/939994149.db2.gz REPBFAUFKRADGV-CVEARBPZSA-N 1 3 309.454 0.708 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268686907 940331011 /nfs/dbraw/zinc/33/10/11/940331011.db2.gz RENBMDSNBANGGQ-MELADBBJSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268686907 940331015 /nfs/dbraw/zinc/33/10/15/940331015.db2.gz RENBMDSNBANGGQ-MELADBBJSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001269493554 940719037 /nfs/dbraw/zinc/71/90/37/940719037.db2.gz YAQNZYQRKUYABC-ZIAGYGMSSA-N 1 3 322.453 0.257 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001482438130 941221270 /nfs/dbraw/zinc/22/12/70/941221270.db2.gz BQHUGIKLWOEEEM-HUUCEWRRSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001271152197 941291447 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C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001318608792 945412456 /nfs/dbraw/zinc/41/24/56/945412456.db2.gz YUUZXSGZDNFOFO-RDJZCZTQSA-N 1 3 321.465 0.853 20 30 DCEDHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC#CCOC)C1)N(C)C ZINC001278511253 945614959 /nfs/dbraw/zinc/61/49/59/945614959.db2.gz HRIKZUANQYRJMA-NVXWUHKLSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320275109 945797561 /nfs/dbraw/zinc/79/75/61/945797561.db2.gz SZZUMKYPHYMEBP-CJNGLKHVSA-N 1 3 315.433 0.842 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC)CCOCC2)CC1 ZINC001325036430 947619771 /nfs/dbraw/zinc/61/97/71/947619771.db2.gz FNITUUYBCZKWCI-UHFFFAOYSA-N 1 3 321.465 0.997 20 30 DCEDHO CN(C)CC#CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001262566604 947728022 /nfs/dbraw/zinc/72/80/22/947728022.db2.gz UPWBPINEUAVWQF-AWEZNQCLSA-N 1 3 307.350 0.489 20 30 DCEDHO C=C[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001273881487 948652736 /nfs/dbraw/zinc/65/27/36/948652736.db2.gz OFUDSVJGOOVZFX-HNNXBMFYSA-N 1 3 309.454 0.800 20 30 DCEDHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332438383 951647241 /nfs/dbraw/zinc/64/72/41/951647241.db2.gz RZGKMCWKMFEGMA-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001276159056 952953596 /nfs/dbraw/zinc/95/35/96/952953596.db2.gz SHNOYOBELSVVJX-INIZCTEOSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001507029731 1015902875 /nfs/dbraw/zinc/90/28/75/1015902875.db2.gz YYJPVDAHPQOAJF-DOTOQJQBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001502573351 1015979223 /nfs/dbraw/zinc/97/92/23/1015979223.db2.gz NFERXSUNWYAXDU-WBVHZDCISA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001502573351 1015979234 /nfs/dbraw/zinc/97/92/34/1015979234.db2.gz NFERXSUNWYAXDU-WBVHZDCISA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cccc(CN(C)C)c1 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BTQYMFRNMUFMQK-KKUMJFAQSA-N 1 3 324.469 0.454 20 30 DCEDHO CC[C@H](C(=O)NC1(C[NH2+]CC#CCOC)CCCC1)N(C)C ZINC001495170086 1018370064 /nfs/dbraw/zinc/37/00/64/1018370064.db2.gz XZVQMNWIDNTQCF-OAHLLOKOSA-N 1 3 309.454 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCO)CCCC2)CC1 ZINC001495963162 1018910220 /nfs/dbraw/zinc/91/02/20/1018910220.db2.gz DGSLGUNJFTVOQC-UHFFFAOYSA-N 1 3 321.465 0.733 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001493205736 1019200177 /nfs/dbraw/zinc/20/01/77/1019200177.db2.gz GTWGSMUXIUQJAH-BZUAXINKSA-N 1 3 307.438 0.415 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001493205736 1019200185 /nfs/dbraw/zinc/20/01/85/1019200185.db2.gz GTWGSMUXIUQJAH-BZUAXINKSA-N 1 3 307.438 0.415 20 30 DCEDHO COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501577542 1019301934 /nfs/dbraw/zinc/30/19/34/1019301934.db2.gz ARIPTSVCPRJJNR-INIZCTEOSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481770 1019344034 /nfs/dbraw/zinc/34/40/34/1019344034.db2.gz OXVVEZAQXGCWPI-LSDHHAIUSA-N 1 3 324.469 0.457 20 30 DCEDHO CN1CC[C@](O)(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262317937 529809273 /nfs/dbraw/zinc/80/92/73/529809273.db2.gz RAGKXLPNLSSTMI-BBRMVZONSA-N 1 3 304.394 0.481 20 30 DCEDHO CN(C)C(=[NH+]C[C@H](O)CN1CCc2ccccc2C1)N(C)C ZINC000264072959 238188366 /nfs/dbraw/zinc/18/83/66/238188366.db2.gz DQQRZLCPTYDGOJ-INIZCTEOSA-N 1 3 304.438 0.885 20 30 DCEDHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000329523996 396845630 /nfs/dbraw/zinc/84/56/30/396845630.db2.gz QFVQYNWVEXSUAU-ZIAGYGMSSA-N 1 3 310.442 0.574 20 30 DCEDHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000329523996 396845635 /nfs/dbraw/zinc/84/56/35/396845635.db2.gz QFVQYNWVEXSUAU-ZIAGYGMSSA-N 1 3 310.442 0.574 20 30 DCEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458333985 397429510 /nfs/dbraw/zinc/42/95/10/397429510.db2.gz MAUCIPKLWHHTKN-MRXNPFEDSA-N 1 3 324.469 0.783 20 30 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PYYYAIJQWHGKFP-HCBPCCMXSA-N 1 3 319.449 0.862 20 30 DCEDHO N#Cc1cc2cccnc2nc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218541509 774241584 /nfs/dbraw/zinc/24/15/84/774241584.db2.gz ITXGGCKYMCPULO-CXAGYDPISA-N 1 3 322.372 0.639 20 30 DCEDHO N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H](O)C2)sc2c1CCNC2 ZINC001218553270 774245953 /nfs/dbraw/zinc/24/59/53/774245953.db2.gz OQMMCYHNGHVWGU-BDAKNGLRSA-N 1 3 306.391 0.174 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCCO1 ZINC001200687412 774390292 /nfs/dbraw/zinc/39/02/92/774390292.db2.gz ARGWULROLWINQZ-CVEARBPZSA-N 1 3 307.438 0.557 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001219661158 774573487 /nfs/dbraw/zinc/57/34/87/774573487.db2.gz XUXOZFYJCMMRPF-JJXSEGSLSA-N 1 3 309.454 0.844 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001219661158 774573490 /nfs/dbraw/zinc/57/34/90/774573490.db2.gz XUXOZFYJCMMRPF-JJXSEGSLSA-N 1 3 309.454 0.844 20 30 DCEDHO N#CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220191724 774727829 /nfs/dbraw/zinc/72/78/29/774727829.db2.gz OPRSUPBUSIKHLN-KBPBESRZSA-N 1 3 323.441 0.244 20 30 DCEDHO CNC(CCCC[NH3+])=C(O)NC(=N)c1ccc(C(=O)OC)cc1 ZINC001220577152 774850295 /nfs/dbraw/zinc/85/02/95/774850295.db2.gz GBECURFAHSFGGD-ZDUSSCGKSA-N 1 3 320.393 0.422 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994087 774972481 /nfs/dbraw/zinc/97/24/81/774972481.db2.gz AOVDSRPJGREBEJ-CVEARBPZSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197980 775590341 /nfs/dbraw/zinc/59/03/41/775590341.db2.gz BVFRZTVPWNAYRI-OIISXLGYSA-N 1 3 319.449 0.842 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228646202 776107819 /nfs/dbraw/zinc/10/78/19/776107819.db2.gz ASGHYBYKBRISGW-KFWWJZLASA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228660763 776110625 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20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)CC)CC1 ZINC001320316707 945818946 /nfs/dbraw/zinc/81/89/46/945818946.db2.gz NNOSKCRVSSVNSY-GOEBONIOSA-N 1 3 309.454 0.444 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C(F)(F)F ZINC001278704685 946099652 /nfs/dbraw/zinc/09/96/52/946099652.db2.gz SUBZRTJUTYXNPD-JQWIXIFHSA-N 1 3 314.311 0.812 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001273261989 946342011 /nfs/dbraw/zinc/34/20/11/946342011.db2.gz ZXLKWPIXRSIUKP-JKSUJKDBSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001324439058 947426135 /nfs/dbraw/zinc/42/61/35/947426135.db2.gz FMKFDNJZXWALRV-MRXNPFEDSA-N 1 3 321.465 0.901 20 30 DCEDHO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001324439058 947426144 /nfs/dbraw/zinc/42/61/44/947426144.db2.gz FMKFDNJZXWALRV-MRXNPFEDSA-N 1 3 321.465 0.901 20 30 DCEDHO C=CCN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109715 947657538 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CC#CC[NH2+]C1CCN(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001279432036 950573144 /nfs/dbraw/zinc/57/31/44/950573144.db2.gz WYCDNOACDKWWAI-KRWDZBQOSA-N 1 3 322.497 0.766 20 30 DCEDHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001280458294 950880250 /nfs/dbraw/zinc/88/02/50/950880250.db2.gz YMGMHVLJYRAVGP-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001331160315 950975591 /nfs/dbraw/zinc/97/55/91/950975591.db2.gz BDPKWMDKJVEIDO-CVEARBPZSA-N 1 3 309.454 0.805 20 30 DCEDHO COCC#CCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770700 951077973 /nfs/dbraw/zinc/07/79/73/951077973.db2.gz VWCHWMIOVZZGCD-MRXNPFEDSA-N 1 3 319.449 0.703 20 30 DCEDHO C#CC[NH2+]CC1(NC(=O)[C@H](F)CN(CC)CC)CCOCC1 ZINC001273974111 951204544 /nfs/dbraw/zinc/20/45/44/951204544.db2.gz BMWBTZPESDFHLO-CQSZACIVSA-N 1 3 313.417 0.555 20 30 DCEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCC#CCOC ZINC001274075653 951399950 /nfs/dbraw/zinc/39/99/50/951399950.db2.gz FPVTYGSLEFDIMY-APHBUQMISA-N 1 3 307.438 0.773 20 30 DCEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCC#CCOC ZINC001274075653 951399963 /nfs/dbraw/zinc/39/99/63/951399963.db2.gz FPVTYGSLEFDIMY-APHBUQMISA-N 1 3 307.438 0.773 20 30 DCEDHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC#CCOC)CC1)N(C)C ZINC001274393684 951608412 /nfs/dbraw/zinc/60/84/12/951608412.db2.gz QCNTUCUNAHIGLW-OAHLLOKOSA-N 1 3 309.454 0.947 20 30 DCEDHO COCC#CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001332386786 951625033 /nfs/dbraw/zinc/62/50/33/951625033.db2.gz GLMOEDFRWVVDDM-INIZCTEOSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664740 953243351 /nfs/dbraw/zinc/24/33/51/953243351.db2.gz DZMDJIZWDOSFKL-VXGBXAGGSA-N 1 3 322.375 0.622 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281893402 953408292 /nfs/dbraw/zinc/40/82/92/953408292.db2.gz RVYRZZGWFJMRDB-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001281893402 953408301 /nfs/dbraw/zinc/40/83/01/953408301.db2.gz RVYRZZGWFJMRDB-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCC[NH2+]CCCOC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001282595010 953632644 /nfs/dbraw/zinc/63/26/44/953632644.db2.gz QOHJFXCFUBOETC-UHFFFAOYSA-N 1 3 318.421 0.963 20 30 DCEDHO C=CCOCCN1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282739464 953665455 /nfs/dbraw/zinc/66/54/55/953665455.db2.gz UTAPOKONHAOMGN-AWEZNQCLSA-N 1 3 307.438 0.721 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)CC1 ZINC001317069547 960340834 /nfs/dbraw/zinc/34/08/34/960340834.db2.gz PRRLPESFWBYXAP-KRWDZBQOSA-N 1 3 317.433 0.172 20 30 DCEDHO C=CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001507117810 1015997668 /nfs/dbraw/zinc/99/76/68/1015997668.db2.gz JAYJACSSQUGPFG-KGLIPLIRSA-N 1 3 310.442 0.162 20 30 DCEDHO C=C(C[NH+](C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001442975336 1009991599 /nfs/dbraw/zinc/99/15/99/1009991599.db2.gz QBGPUXWKBGLCAB-CQSZACIVSA-N 1 3 310.442 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@H](CC)OC)CC2)CC1 ZINC001499458215 1017940386 /nfs/dbraw/zinc/94/03/86/1017940386.db2.gz BMNIJHMKTGKUQA-INIZCTEOSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480114880 1018219354 /nfs/dbraw/zinc/21/93/54/1018219354.db2.gz SHAXBMXAVXLGJZ-AWEZNQCLSA-N 1 3 322.453 0.354 20 30 DCEDHO C#CCCN1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001501359477 1019094780 /nfs/dbraw/zinc/09/47/80/1019094780.db2.gz DHKKBCHXLTWBEA-QGZVFWFLSA-N 1 3 309.454 0.685 20 30 DCEDHO C#CCCN1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001501359477 1019094796 /nfs/dbraw/zinc/09/47/96/1019094796.db2.gz DHKKBCHXLTWBEA-QGZVFWFLSA-N 1 3 309.454 0.685 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493726191 1019661410 /nfs/dbraw/zinc/66/14/10/1019661410.db2.gz QZHPPXRREVOAEZ-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493726191 1019661418 /nfs/dbraw/zinc/66/14/18/1019661418.db2.gz QZHPPXRREVOAEZ-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000491656343 533104873 /nfs/dbraw/zinc/10/48/73/533104873.db2.gz SFEAFXHXLWNBQF-MRXNPFEDSA-N 1 3 323.485 0.267 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000491656343 533104878 /nfs/dbraw/zinc/10/48/78/533104878.db2.gz SFEAFXHXLWNBQF-MRXNPFEDSA-N 1 3 323.485 0.267 20 30 DCEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000104180664 415622982 /nfs/dbraw/zinc/62/29/82/415622982.db2.gz WEDVOVPOATXVII-UHFFFAOYSA-N 1 3 306.410 0.774 20 30 DCEDHO C=CC[C@]1(C(=O)NCCCCN2CCN(C)CC2)CCC[NH2+]1 ZINC000662758737 417893782 /nfs/dbraw/zinc/89/37/82/417893782.db2.gz SIEPZGWRLGCRFN-QGZVFWFLSA-N 1 3 308.470 0.829 20 30 DCEDHO C=CC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCC[NH2+]1 ZINC000662820253 417916241 /nfs/dbraw/zinc/91/62/41/417916241.db2.gz RVNDWUSUNGYTEV-SQWLQELKSA-N 1 3 303.410 0.372 20 30 DCEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654431628 418144614 /nfs/dbraw/zinc/14/46/14/418144614.db2.gz UAQZJENCGDKURL-JKSUJKDBSA-N 1 3 322.453 0.487 20 30 DCEDHO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262505220 276842998 /nfs/dbraw/zinc/84/29/98/276842998.db2.gz ZPRRVDNKSFSLTE-HUUCEWRRSA-N 1 3 310.442 0.537 20 30 DCEDHO CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262471397 280841259 /nfs/dbraw/zinc/84/12/59/280841259.db2.gz OYDJFGBTEOYOEG-HZPDHXFCSA-N 1 3 324.469 0.928 20 30 DCEDHO C=CCN1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401682 338194748 /nfs/dbraw/zinc/19/47/48/338194748.db2.gz UGWSBJRPOITVQJ-AWEZNQCLSA-N 1 3 318.425 0.583 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000359262875 526417551 /nfs/dbraw/zinc/41/75/51/526417551.db2.gz HFVLEZDMALIOHX-AWEZNQCLSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000359262875 526417556 /nfs/dbraw/zinc/41/75/56/526417556.db2.gz HFVLEZDMALIOHX-AWEZNQCLSA-N 1 3 324.469 0.600 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264090625 529073096 /nfs/dbraw/zinc/07/30/96/529073096.db2.gz KVYOIJSOFJUNLJ-OAHLLOKOSA-N 1 3 317.437 0.935 20 30 DCEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244487 657489569 /nfs/dbraw/zinc/48/95/69/657489569.db2.gz KDOZRUYVMVSOSA-OAHLLOKOSA-N 1 3 307.438 0.818 20 30 DCEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244487 657489577 /nfs/dbraw/zinc/48/95/77/657489577.db2.gz KDOZRUYVMVSOSA-OAHLLOKOSA-N 1 3 307.438 0.818 20 30 DCEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001021469439 657854254 /nfs/dbraw/zinc/85/42/54/657854254.db2.gz CVCVNUFPXBKXJI-ALOPSCKCSA-N 1 3 319.449 0.436 20 30 DCEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001021469439 657854266 /nfs/dbraw/zinc/85/42/66/657854266.db2.gz CVCVNUFPXBKXJI-ALOPSCKCSA-N 1 3 319.449 0.436 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC000970923554 658085140 /nfs/dbraw/zinc/08/51/40/658085140.db2.gz GDBTVEIFEQTDLZ-KGLIPLIRSA-N 1 3 307.438 0.149 20 30 DCEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498519 659627634 /nfs/dbraw/zinc/62/76/34/659627634.db2.gz HMHMFKAGGZHLFN-NDUQDZPOSA-N 1 3 317.433 0.406 20 30 DCEDHO C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498519 659627636 /nfs/dbraw/zinc/62/76/36/659627636.db2.gz HMHMFKAGGZHLFN-NDUQDZPOSA-N 1 3 317.433 0.406 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712424 665920236 /nfs/dbraw/zinc/92/02/36/665920236.db2.gz BBBWUACCYUNPDM-CVEARBPZSA-N 1 3 305.422 0.784 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712424 665920237 /nfs/dbraw/zinc/92/02/37/665920237.db2.gz BBBWUACCYUNPDM-CVEARBPZSA-N 1 3 305.422 0.784 20 30 DCEDHO C#CC[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915492582 664925807 /nfs/dbraw/zinc/92/58/07/664925807.db2.gz IZNGCFWJJWSURH-HNNXBMFYSA-N 1 3 322.453 0.228 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCOC)[C@H]2C)CC1 ZINC000994493564 665116320 /nfs/dbraw/zinc/11/63/20/665116320.db2.gz DTJKKORRUHDXMS-RDJZCZTQSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)[C@H]2C)CC1 ZINC000994493564 665116322 /nfs/dbraw/zinc/11/63/22/665116322.db2.gz DTJKKORRUHDXMS-RDJZCZTQSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001002145504 666135867 /nfs/dbraw/zinc/13/58/67/666135867.db2.gz QQWXBYFRNIHSPJ-OAHLLOKOSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001002145498 666135997 /nfs/dbraw/zinc/13/59/97/666135997.db2.gz QQWXBYFRNIHSPJ-HNNXBMFYSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996811770 666917586 /nfs/dbraw/zinc/91/75/86/666917586.db2.gz JBXURCVXUXVLHB-GULBITTBSA-N 1 3 303.406 0.063 20 30 DCEDHO C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)CN1CCOCC1)CC2 ZINC001035852501 667413395 /nfs/dbraw/zinc/41/33/95/667413395.db2.gz LARKNEPRJZHTAR-INIZCTEOSA-N 1 3 319.449 0.512 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NCCN1CCC(OC)CC1 ZINC000838623823 667701605 /nfs/dbraw/zinc/70/16/05/667701605.db2.gz PPAOCDXDWDFXER-UHFFFAOYSA-N 1 3 310.442 0.352 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)NCCN1CCC(OC)CC1 ZINC000838623823 667701608 /nfs/dbraw/zinc/70/16/08/667701608.db2.gz PPAOCDXDWDFXER-UHFFFAOYSA-N 1 3 310.442 0.352 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303882680 685207919 /nfs/dbraw/zinc/20/79/19/685207919.db2.gz IHDNDNNPWKVTMU-HNNXBMFYSA-N 1 3 317.437 0.935 20 30 DCEDHO C[C@H]1CCCN(CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303883921 685207995 /nfs/dbraw/zinc/20/79/95/685207995.db2.gz IWSWNIVVFXAHRE-HNNXBMFYSA-N 1 3 311.474 0.345 20 30 DCEDHO CCN1CCCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000304760491 685211686 /nfs/dbraw/zinc/21/16/86/685211686.db2.gz SLYBHDBQQWQNFZ-OAHLLOKOSA-N 1 3 311.474 0.487 20 30 DCEDHO C=CCN1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171747 687403305 /nfs/dbraw/zinc/40/33/05/687403305.db2.gz LERXYJFRGLJBBL-HUUCEWRRSA-N 1 3 307.438 0.457 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015324183 692264781 /nfs/dbraw/zinc/26/47/81/692264781.db2.gz MQDVYNYCWACMQN-GYMHETDLSA-N 1 3 303.406 0.063 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015324183 692264785 /nfs/dbraw/zinc/26/47/85/692264785.db2.gz MQDVYNYCWACMQN-GYMHETDLSA-N 1 3 303.406 0.063 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001019241524 693404627 /nfs/dbraw/zinc/40/46/27/693404627.db2.gz FGVKZOBQKFJXMY-SOUVJXGZSA-N 1 3 320.437 0.058 20 30 DCEDHO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CCN(CC#C)CC1 ZINC001571608461 1162859524 /nfs/dbraw/zinc/85/95/24/1162859524.db2.gz HUCZDDXUNWIJFB-KRWDZBQOSA-N 1 3 319.449 0.106 20 30 DCEDHO C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CCN(CC#C)CC1 ZINC001571608461 1162859530 /nfs/dbraw/zinc/85/95/30/1162859530.db2.gz HUCZDDXUNWIJFB-KRWDZBQOSA-N 1 3 319.449 0.106 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC#CCOC)CC1 ZINC001753497116 1158035446 /nfs/dbraw/zinc/03/54/46/1158035446.db2.gz KQEKBZCTVWRCFF-QGZVFWFLSA-N 1 3 319.449 0.466 20 30 DCEDHO COCC#CCN[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001755618381 1158206141 /nfs/dbraw/zinc/20/61/41/1158206141.db2.gz LBIIBXPKODFZQI-INIZCTEOSA-N 1 3 309.454 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCOC)C2)CC1 ZINC001566863424 1160170203 /nfs/dbraw/zinc/17/02/03/1160170203.db2.gz WBLBSKDFXWZRHO-CALCHBBNSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568274175 1160617943 /nfs/dbraw/zinc/61/79/43/1160617943.db2.gz SMJLMTSNNQEDAH-DZGCQCFKSA-N 1 3 322.453 0.067 20 30 DCEDHO COCC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570274655 1161532839 /nfs/dbraw/zinc/53/28/39/1161532839.db2.gz IOOGLFDCHMTIBF-GOSISDBHSA-N 1 3 321.465 0.902 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570294455 1161552031 /nfs/dbraw/zinc/55/20/31/1161552031.db2.gz VLKBEXWHTCNXPO-DOTOQJQBSA-N 1 3 309.454 0.539 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001646799696 1172539452 /nfs/dbraw/zinc/53/94/52/1172539452.db2.gz WVHUQRWUITWLRF-NEPJUHHUSA-N 1 3 301.818 0.813 20 30 DCEDHO CC#CCN(CCC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001663689130 1174342745 /nfs/dbraw/zinc/34/27/45/1174342745.db2.gz ZCGKDLFBMDISGG-UHFFFAOYSA-N 1 3 309.454 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC(C)C)CC1 ZINC001667939827 1174736061 /nfs/dbraw/zinc/73/60/61/1174736061.db2.gz SAJXGMUGDGFZIM-INIZCTEOSA-N 1 3 309.454 0.444 20 30 DCEDHO C=CCOCCN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690092086 1177169377 /nfs/dbraw/zinc/16/93/77/1177169377.db2.gz VMHNATLNNVIUBB-HOTGVXAUSA-N 1 3 307.438 0.721 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001690628453 1177286860 /nfs/dbraw/zinc/28/68/60/1177286860.db2.gz NBWPBLJADJNLSQ-JKSUJKDBSA-N 1 3 309.454 0.993 20 30 DCEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001699033844 1177780838 /nfs/dbraw/zinc/78/08/38/1177780838.db2.gz GMWQYXRTLFOVPR-JKSUJKDBSA-N 1 3 309.454 0.853 20 30 DCEDHO CC#CCNC/C=C\CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001699323630 1178067479 /nfs/dbraw/zinc/06/74/79/1178067479.db2.gz ZSUCZSXIYUSMOT-SREVYHEPSA-N 1 3 303.410 0.344 20 30 DCEDHO C=CCOCCN(C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699442013 1178139662 /nfs/dbraw/zinc/13/96/62/1178139662.db2.gz NQWJMEDWCMNBLD-ZBFHGGJFSA-N 1 3 309.454 0.967 20 30 DCEDHO COCC#CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001700286780 1178566515 /nfs/dbraw/zinc/56/65/15/1178566515.db2.gz SRLKRANXLXOCOU-UHFFFAOYSA-N 1 3 304.394 0.573 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700706405 1178717411 /nfs/dbraw/zinc/71/74/11/1178717411.db2.gz SGKVDJGMCMWJHL-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO C=CCN1CC[C@@H](NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001715991924 1182135221 /nfs/dbraw/zinc/13/52/21/1182135221.db2.gz AFQIMISFNFTLGC-DZGCQCFKSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001716549102 1182437310 /nfs/dbraw/zinc/43/73/10/1182437310.db2.gz OEKTZSHRRDCNOW-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717750990 1182978314 /nfs/dbraw/zinc/97/83/14/1182978314.db2.gz UDEYRUPSKARYTA-ZIAGYGMSSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001717902635 1183049466 /nfs/dbraw/zinc/04/94/66/1183049466.db2.gz BRUDBEHWPWRFSI-CQSZACIVSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001717902635 1183049471 /nfs/dbraw/zinc/04/94/71/1183049471.db2.gz BRUDBEHWPWRFSI-CQSZACIVSA-N 1 3 324.469 0.457 20 30 DCEDHO COCC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001724628061 1184480348 /nfs/dbraw/zinc/48/03/48/1184480348.db2.gz ZSIOZRXSWZAZFL-YESZJQIVSA-N 1 3 319.449 0.368 20 30 DCEDHO COCC#CCN1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001724628061 1184480351 /nfs/dbraw/zinc/48/03/51/1184480351.db2.gz ZSIOZRXSWZAZFL-YESZJQIVSA-N 1 3 319.449 0.368 20 30 DCEDHO COCC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724842844 1184588293 /nfs/dbraw/zinc/58/82/93/1184588293.db2.gz JITIJFRUQJGKEA-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO COCC#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724842844 1184588299 /nfs/dbraw/zinc/58/82/99/1184588299.db2.gz JITIJFRUQJGKEA-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001731523572 1185374848 /nfs/dbraw/zinc/37/48/48/1185374848.db2.gz RELRHDCVEUKGOV-AWEZNQCLSA-N 1 3 304.394 0.430 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001731700194 1185448191 /nfs/dbraw/zinc/44/81/91/1185448191.db2.gz QICXEQVPZREEKC-CABCVRRESA-N 1 3 322.453 0.095 20 30 DCEDHO COCC#CCNC[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001732456094 1185826141 /nfs/dbraw/zinc/82/61/41/1185826141.db2.gz WGFHRYOVJFDIIM-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001733340751 1186233226 /nfs/dbraw/zinc/23/32/26/1186233226.db2.gz RBSULFFUPMWDNA-HNNXBMFYSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CN1CCCC1)CC2 ZINC001734202219 1186578325 /nfs/dbraw/zinc/57/83/25/1186578325.db2.gz RJRDRUZMTYYDKK-MRXNPFEDSA-N 1 3 319.449 0.703 20 30 DCEDHO COCC#CCN(CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001752286993 1188411670 /nfs/dbraw/zinc/41/16/70/1188411670.db2.gz KSRLTAKFYAISLR-UHFFFAOYSA-N 1 3 319.449 0.703 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001752775355 1188438790 /nfs/dbraw/zinc/43/87/90/1188438790.db2.gz HXQISOZUUJVHQP-OWCLPIDISA-N 1 3 307.438 0.747 20 30 DCEDHO C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001753344315 1188569827 /nfs/dbraw/zinc/56/98/27/1188569827.db2.gz ZPWXFBYDDUAOIJ-INIZCTEOSA-N 1 3 308.470 0.733 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)C1=O ZINC001754296371 1188812624 /nfs/dbraw/zinc/81/26/24/1188812624.db2.gz JNNNSINVCVLGIR-UONOGXRCSA-N 1 3 310.442 0.208 20 30 DCEDHO C#CCCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209266872 746987266 /nfs/dbraw/zinc/98/72/66/746987266.db2.gz FICNGRFQWGSGIN-UHFFFAOYSA-N 1 3 320.481 0.570 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250226 751065240 /nfs/dbraw/zinc/06/52/40/751065240.db2.gz YIMXLEFKISPTEN-OIISXLGYSA-N 1 3 321.465 0.661 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC001078226946 753122148 /nfs/dbraw/zinc/12/21/48/753122148.db2.gz AVEWTKVILUUUJS-HZPDHXFCSA-N 1 3 305.422 0.069 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@H]2O)CC1 ZINC001078226946 753122151 /nfs/dbraw/zinc/12/21/51/753122151.db2.gz AVEWTKVILUUUJS-HZPDHXFCSA-N 1 3 305.422 0.069 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC001078227198 753122562 /nfs/dbraw/zinc/12/25/62/753122562.db2.gz NSIVUWQAHYVIQZ-HZPDHXFCSA-N 1 3 307.438 0.149 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC001078227198 753122568 /nfs/dbraw/zinc/12/25/68/753122568.db2.gz NSIVUWQAHYVIQZ-HZPDHXFCSA-N 1 3 307.438 0.149 20 30 DCEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CCN(CC#C)CC2)C12CCC2 ZINC001078818919 753393243 /nfs/dbraw/zinc/39/32/43/753393243.db2.gz FOMOKXFJSNBUAQ-IRXDYDNUSA-N 1 3 313.445 0.982 20 30 DCEDHO C#CCCN1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046325939 753646509 /nfs/dbraw/zinc/64/65/09/753646509.db2.gz FFIMERIJAAUKJY-KRWDZBQOSA-N 1 3 317.437 0.662 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128782775 754282575 /nfs/dbraw/zinc/28/25/75/754282575.db2.gz BRGOJRJFNAYGAL-KBPBESRZSA-N 1 3 310.442 0.257 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128782775 754282579 /nfs/dbraw/zinc/28/25/79/754282579.db2.gz BRGOJRJFNAYGAL-KBPBESRZSA-N 1 3 310.442 0.257 20 30 DCEDHO C=C(C)CN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355492 755666203 /nfs/dbraw/zinc/66/62/03/755666203.db2.gz PVBGNWGFPJZELZ-HZPDHXFCSA-N 1 3 321.465 0.990 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275338 761160283 /nfs/dbraw/zinc/16/02/83/761160283.db2.gz HEFNCORMRHPIKM-KFWWJZLASA-N 1 3 318.425 0.147 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985425 763070553 /nfs/dbraw/zinc/07/05/53/763070553.db2.gz WUVXHWWYIJEZSK-KGLIPLIRSA-N 1 3 306.414 0.147 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130096353 763122908 /nfs/dbraw/zinc/12/29/08/763122908.db2.gz FSMWHTANBCNASP-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C=CCOCCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064585 763272632 /nfs/dbraw/zinc/27/26/32/763272632.db2.gz OLVVLXJPYHLATL-CABCVRRESA-N 1 3 313.442 0.082 20 30 DCEDHO C=CCOCCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064585 763272640 /nfs/dbraw/zinc/27/26/40/763272640.db2.gz OLVVLXJPYHLATL-CABCVRRESA-N 1 3 313.442 0.082 20 30 DCEDHO COCC#CC[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678859 763720409 /nfs/dbraw/zinc/72/04/09/763720409.db2.gz ZNPSBVWVCXFVTQ-FHERZECASA-N 1 3 307.438 0.462 20 30 DCEDHO COCC#CC[N@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369988 764618774 /nfs/dbraw/zinc/61/87/74/764618774.db2.gz MXZDHIYXSWYYAC-GVDBMIGSSA-N 1 3 321.465 0.662 20 30 DCEDHO COCC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369988 764618778 /nfs/dbraw/zinc/61/87/78/764618778.db2.gz MXZDHIYXSWYYAC-GVDBMIGSSA-N 1 3 321.465 0.662 20 30 DCEDHO CC#CCN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203353 768241411 /nfs/dbraw/zinc/24/14/11/768241411.db2.gz LKQFEMYHFIKNOH-WBVHZDCISA-N 1 3 301.434 0.886 20 30 DCEDHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001133865694 765191690 /nfs/dbraw/zinc/19/16/90/765191690.db2.gz FDKPBBNLFPDNKI-BBRMVZONSA-N 1 3 300.406 0.962 20 30 DCEDHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001133865694 765191698 /nfs/dbraw/zinc/19/16/98/765191698.db2.gz FDKPBBNLFPDNKI-BBRMVZONSA-N 1 3 300.406 0.962 20 30 DCEDHO C=CCN1CC[C@@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780665 765671154 /nfs/dbraw/zinc/67/11/54/765671154.db2.gz QXTHPJYGGHETCS-OAHLLOKOSA-N 1 3 322.453 0.211 20 30 DCEDHO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866659 768316223 /nfs/dbraw/zinc/31/62/23/768316223.db2.gz IINHFYDCAZPXHS-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591379 767484543 /nfs/dbraw/zinc/48/45/43/767484543.db2.gz GKTCRYYMOVKYLI-ZIAGYGMSSA-N 1 3 312.458 0.502 20 30 DCEDHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001121935056 767672859 /nfs/dbraw/zinc/67/28/59/767672859.db2.gz FOMPIOKXBICNAZ-UHFFFAOYSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001152330471 769528894 /nfs/dbraw/zinc/52/88/94/769528894.db2.gz OKKDKXWCXZEXPB-HNNXBMFYSA-N 1 3 307.438 0.464 20 30 DCEDHO C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCN(CC)C3)CC2)C1=O ZINC001173362257 769605434 /nfs/dbraw/zinc/60/54/34/769605434.db2.gz RDDZQRHHRUGUOT-INIZCTEOSA-N 1 3 320.481 0.875 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153309594 769778619 /nfs/dbraw/zinc/77/86/19/769778619.db2.gz OVRMRYZWALLKRR-OAHLLOKOSA-N 1 3 324.469 0.649 20 30 DCEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986321 770273288 /nfs/dbraw/zinc/27/32/88/770273288.db2.gz KSAQQIRZGYOFNZ-AWEZNQCLSA-N 1 3 310.442 0.259 20 30 DCEDHO CCN(CC#CCOC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898298 770330338 /nfs/dbraw/zinc/33/03/38/770330338.db2.gz GSAUOPQUOXUCJB-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO CCN(CC#CCOC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024444 770370090 /nfs/dbraw/zinc/37/00/90/770370090.db2.gz ZZZVJMNYUQYCHM-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)O)CC1 ZINC001157092350 771532526 /nfs/dbraw/zinc/53/25/26/771532526.db2.gz SZNVGYFWIRRQOR-CABCVRRESA-N 1 3 309.454 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)O)CC1 ZINC001157092350 771532531 /nfs/dbraw/zinc/53/25/31/771532531.db2.gz SZNVGYFWIRRQOR-CABCVRRESA-N 1 3 309.454 0.539 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791722 772924533 /nfs/dbraw/zinc/92/45/33/772924533.db2.gz KIESFRJZRKPNIP-HOTGVXAUSA-N 1 3 321.465 0.993 20 30 DCEDHO COCC#CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274290 773061196 /nfs/dbraw/zinc/06/11/96/773061196.db2.gz HLCOKTFOPBEYAY-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328530 773434009 /nfs/dbraw/zinc/43/40/09/773434009.db2.gz DYVPXMZZEZZFKX-AWEZNQCLSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673955 773729069 /nfs/dbraw/zinc/72/90/69/773729069.db2.gz KOVLBPCKAJGCMG-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673955 773729070 /nfs/dbraw/zinc/72/90/70/773729070.db2.gz KOVLBPCKAJGCMG-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184381 774047409 /nfs/dbraw/zinc/04/74/09/774047409.db2.gz AYZGLDZWEPVBQC-MYPHYYIGSA-N 1 3 317.433 0.309 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199827345 774218692 /nfs/dbraw/zinc/21/86/92/774218692.db2.gz VFWBQTMMEXUJAN-HIFRSBDPSA-N 1 3 322.453 0.352 20 30 DCEDHO C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CC[NH2+]C[C@@H]1O ZINC001218553120 774246188 /nfs/dbraw/zinc/24/61/88/774246188.db2.gz NIUQZNOSLDEKJU-SWLSCSKDSA-N 1 3 320.418 0.564 20 30 DCEDHO C[C@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CC[NH2+]C[C@@H]1O ZINC001218553121 774246272 /nfs/dbraw/zinc/24/62/72/774246272.db2.gz NIUQZNOSLDEKJU-WFASDCNBSA-N 1 3 320.418 0.564 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)CCCO1 ZINC001200626785 774379440 /nfs/dbraw/zinc/37/94/40/774379440.db2.gz BXCYLUDXEAMTRT-HUUCEWRRSA-N 1 3 313.417 0.507 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCCO1 ZINC001201405073 774502197 /nfs/dbraw/zinc/50/21/97/774502197.db2.gz ZUYVKXQKCXOLOJ-HZPDHXFCSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483070 774520849 /nfs/dbraw/zinc/52/08/49/774520849.db2.gz KPZAMATZIOYPKZ-HNNXBMFYSA-N 1 3 322.409 0.362 20 30 DCEDHO C=CCOC(=O)N1CCC(CNC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001221298432 775059023 /nfs/dbraw/zinc/05/90/23/775059023.db2.gz OJHRMRCZEDUHSF-CYBMUJFWSA-N 1 3 312.414 0.203 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365285 776076510 /nfs/dbraw/zinc/07/65/10/776076510.db2.gz AMCIMUFNNGAFST-ZIAGYGMSSA-N 1 3 310.442 0.257 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229502943 776196050 /nfs/dbraw/zinc/19/60/50/776196050.db2.gz BTLYCXIEJANYLY-HUUCEWRRSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229502943 776196054 /nfs/dbraw/zinc/19/60/54/776196054.db2.gz BTLYCXIEJANYLY-HUUCEWRRSA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138172 776256863 /nfs/dbraw/zinc/25/68/63/776256863.db2.gz IUSHULURLBVTJQ-RRFJBIMHSA-N 1 3 322.453 0.257 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138172 776256868 /nfs/dbraw/zinc/25/68/68/776256868.db2.gz IUSHULURLBVTJQ-RRFJBIMHSA-N 1 3 322.453 0.257 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC#C)C3)C2)CC1 ZINC001041844973 777537916 /nfs/dbraw/zinc/53/79/16/777537916.db2.gz QMCYHZRJFFRUDH-LJQANCHMSA-N 1 3 313.445 0.889 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC#C)C3)C2)CC1 ZINC001041844973 777537921 /nfs/dbraw/zinc/53/79/21/777537921.db2.gz QMCYHZRJFFRUDH-LJQANCHMSA-N 1 3 313.445 0.889 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](C)COC)CC1 ZINC001267154684 939361934 /nfs/dbraw/zinc/36/19/34/939361934.db2.gz IDZSGCZYHJAUSG-LSDHHAIUSA-N 1 3 309.454 0.851 20 30 DCEDHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC#CCOC)C1)N(C)C ZINC001267576838 939522419 /nfs/dbraw/zinc/52/24/19/939522419.db2.gz ZJJZYHHYXIHEJN-CVEARBPZSA-N 1 3 309.454 0.805 20 30 DCEDHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#CCOC)C1)N(C)C ZINC001267576838 939522423 /nfs/dbraw/zinc/52/24/23/939522423.db2.gz ZJJZYHHYXIHEJN-CVEARBPZSA-N 1 3 309.454 0.805 20 30 DCEDHO COCC#CCN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267601922 939544751 /nfs/dbraw/zinc/54/47/51/939544751.db2.gz TYXBUEYPJPHZEJ-HZPDHXFCSA-N 1 3 307.438 0.416 20 30 DCEDHO COCC#CCN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267601922 939544752 /nfs/dbraw/zinc/54/47/52/939544752.db2.gz TYXBUEYPJPHZEJ-HZPDHXFCSA-N 1 3 307.438 0.416 20 30 DCEDHO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267709384 939633838 /nfs/dbraw/zinc/63/38/38/939633838.db2.gz WHPZJTVQKXLCBI-MRXNPFEDSA-N 1 3 307.438 0.512 20 30 DCEDHO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267709384 939633840 /nfs/dbraw/zinc/63/38/40/939633840.db2.gz WHPZJTVQKXLCBI-MRXNPFEDSA-N 1 3 307.438 0.512 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001481243112 939664321 /nfs/dbraw/zinc/66/43/21/939664321.db2.gz FMPCGUQTTWTAOF-GJZGRUSLSA-N 1 3 324.469 0.408 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001481522339 939914834 /nfs/dbraw/zinc/91/48/34/939914834.db2.gz FQXPVMRKRWVNCI-KKUMJFAQSA-N 1 3 324.469 0.598 20 30 DCEDHO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268321330 940057605 /nfs/dbraw/zinc/05/76/05/940057605.db2.gz MOSMTUQYQRLZCE-BBRMVZONSA-N 1 3 313.417 0.289 20 30 DCEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001482058063 940237556 /nfs/dbraw/zinc/23/75/56/940237556.db2.gz FILKFRRHFHUAIW-ZBFHGGJFSA-N 1 3 324.469 0.455 20 30 DCEDHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001482768953 941663054 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CC[C@H](C(=O)N1CCC([N@@H+](C)CC#CCOC)CC1)N(C)C ZINC001485766690 944124734 /nfs/dbraw/zinc/12/47/34/944124734.db2.gz NVQKWFUZAXMMOS-MRXNPFEDSA-N 1 3 309.454 0.899 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485877006 944376435 /nfs/dbraw/zinc/37/64/35/944376435.db2.gz XGOSYLLJLXVZAI-ZFWWWQNUSA-N 1 3 322.453 0.067 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]C[C@H](C)O)CC1 ZINC001277364030 944787101 /nfs/dbraw/zinc/78/71/01/944787101.db2.gz YJWCTHCAHRWVRN-CABCVRRESA-N 1 3 309.454 0.587 20 30 DCEDHO C=CCOCc1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNC2 ZINC001246701748 945465200 /nfs/dbraw/zinc/46/52/00/945465200.db2.gz MJMGMLZDSUWACF-LBPRGKRZSA-N 1 3 303.410 0.455 20 30 DCEDHO N#Cc1ccnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246836609 945502467 /nfs/dbraw/zinc/50/24/67/945502467.db2.gz MMDIHXRTOIXIIY-HNNXBMFYSA-N 1 3 312.421 0.169 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001278704689 946100089 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C#CCN1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001265073182 949271860 /nfs/dbraw/zinc/27/18/60/949271860.db2.gz SVUYOPRPXARJRD-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001265544277 949753941 /nfs/dbraw/zinc/75/39/41/949753941.db2.gz GQQJKMFCFOOPRP-KBXIAJHMSA-N 1 3 324.469 0.500 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001265544279 949758065 /nfs/dbraw/zinc/75/80/65/949758065.db2.gz GQQJKMFCFOOPRP-XQLPTFJDSA-N 1 3 324.469 0.500 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265630871 949825305 /nfs/dbraw/zinc/82/53/05/949825305.db2.gz ROUDMCJOTHOWLE-HUUCEWRRSA-N 1 3 324.469 0.457 20 30 DCEDHO C=C[C@](C)(O)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001274614627 951738623 /nfs/dbraw/zinc/73/86/23/951738623.db2.gz JYNJAAGJNTWJNB-INIZCTEOSA-N 1 3 309.454 0.800 20 30 DCEDHO C=C[C@](C)(O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001274615849 951742696 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1016971808 /nfs/dbraw/zinc/97/18/08/1016971808.db2.gz OVFGEXQIFDCDBJ-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO COC1CC[NH+](C(C)(C)CNC(=O)NCC#CCN(C)C)CC1 ZINC001564079304 1012516856 /nfs/dbraw/zinc/51/68/56/1012516856.db2.gz FXWYREXHQDFJNG-UHFFFAOYSA-N 1 3 324.469 0.740 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001506907368 1017657148 /nfs/dbraw/zinc/65/71/48/1017657148.db2.gz RGSYEDBTYDLWCD-ULQDDVLXSA-N 1 3 321.465 0.995 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001480173402 1018282019 /nfs/dbraw/zinc/28/20/19/1018282019.db2.gz HXQISOZUUJVHQP-JYJNAYRXSA-N 1 3 307.438 0.747 20 30 DCEDHO C[C@H](Cn1cccn1)NCC#CC[NH2+][C@H](C)Cn1cccn1 ZINC000276254756 238317449 /nfs/dbraw/zinc/31/74/49/238317449.db2.gz ABEHKOFMZODOAJ-HZPDHXFCSA-N 1 3 300.410 0.739 20 30 DCEDHO C[N@@H+]1CC[C@@H]2CCN(C[C@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243657 291286927 /nfs/dbraw/zinc/28/69/27/291286927.db2.gz XEGZDZZNYSVPTL-UMVBOHGHSA-N 1 3 300.410 0.822 20 30 DCEDHO C[N@H+]1CC[C@@H]2CCN(C[C@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243657 291286929 /nfs/dbraw/zinc/28/69/29/291286929.db2.gz XEGZDZZNYSVPTL-UMVBOHGHSA-N 1 3 300.410 0.822 20 30 DCEDHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000592145125 397103607 /nfs/dbraw/zinc/10/36/07/397103607.db2.gz ODSFMTULQDMVQY-CABCVRRESA-N 1 3 307.442 0.246 20 30 DCEDHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000592145125 397103612 /nfs/dbraw/zinc/10/36/12/397103612.db2.gz ODSFMTULQDMVQY-CABCVRRESA-N 1 3 307.442 0.246 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000343780409 415725272 /nfs/dbraw/zinc/72/52/72/415725272.db2.gz MCJGIGZDBQEBSB-UHFFFAOYSA-N 1 3 324.469 0.553 20 30 DCEDHO CN(CC(=O)NCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354855171 415827395 /nfs/dbraw/zinc/82/73/95/415827395.db2.gz FQZOBIUBGOJMQY-UHFFFAOYSA-N 1 3 301.394 0.870 20 30 DCEDHO C#CCNC(NCC1(N2CCCCC2)CCN(C)CC1)=[NH+]C ZINC000262771678 416337058 /nfs/dbraw/zinc/33/70/58/416337058.db2.gz HWBZMYCXTCEWFP-UHFFFAOYSA-N 1 3 305.470 0.735 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419723952 416406346 /nfs/dbraw/zinc/40/63/46/416406346.db2.gz GKUASCLXWBICNB-DZGCQCFKSA-N 1 3 322.453 0.339 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000491674411 416614076 /nfs/dbraw/zinc/61/40/76/416614076.db2.gz XGMQNPWIEIYYPC-CVEARBPZSA-N 1 3 322.453 0.479 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000652690977 417944325 /nfs/dbraw/zinc/94/43/25/417944325.db2.gz RJKKGUYLVHWLSC-UHFFFAOYSA-N 1 3 322.453 0.340 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419725348 276894077 /nfs/dbraw/zinc/89/40/77/276894077.db2.gz IIXPQOONTOCPEI-DZGCQCFKSA-N 1 3 322.453 0.387 20 30 DCEDHO C#CCN1CCC(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000490764067 339839852 /nfs/dbraw/zinc/83/98/52/339839852.db2.gz ZEQSVQDPJPXQDD-UHFFFAOYSA-N 1 3 320.481 0.474 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](CO)CC[NH+](CC)CC)CC1 ZINC000491126415 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CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CCCO1 ZINC001200687414 774389948 /nfs/dbraw/zinc/38/99/48/774389948.db2.gz ARGWULROLWINQZ-HZPDHXFCSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CC[C@H](N)C(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001221094307 774994216 /nfs/dbraw/zinc/99/42/16/774994216.db2.gz OSQYSIMZRRUTRM-HNNXBMFYSA-N 1 3 301.390 0.741 20 30 DCEDHO C=CCOCCN1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001229185205 776166505 /nfs/dbraw/zinc/16/65/05/776166505.db2.gz IQVCTKMGHQBGNM-GOEBONIOSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCOCCN1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001229185205 776166508 /nfs/dbraw/zinc/16/65/08/776166508.db2.gz IQVCTKMGHQBGNM-GOEBONIOSA-N 1 3 309.454 0.967 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001266879730 939264675 /nfs/dbraw/zinc/26/46/75/939264675.db2.gz XFLARRNFHMPRGF-DLBZAZTESA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001267422589 939453118 /nfs/dbraw/zinc/45/31/18/939453118.db2.gz NJUHHEPCQGXVPP-HNNXBMFYSA-N 1 3 322.453 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@H](C)OC)CC1 ZINC001267832171 939691661 /nfs/dbraw/zinc/69/16/61/939691661.db2.gz YFXIYVGAIHHIRA-GOEBONIOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001481461800 939875627 /nfs/dbraw/zinc/87/56/27/939875627.db2.gz IXOMVWBTCWZCCQ-HOTGVXAUSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001481461800 939875632 /nfs/dbraw/zinc/87/56/32/939875632.db2.gz IXOMVWBTCWZCCQ-HOTGVXAUSA-N 1 3 321.465 0.541 20 30 DCEDHO COCC#CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001268220022 939994061 /nfs/dbraw/zinc/99/40/61/939994061.db2.gz REPBFAUFKRADGV-HOTGVXAUSA-N 1 3 309.454 0.708 20 30 DCEDHO COCC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001268217528 939994469 /nfs/dbraw/zinc/99/44/69/939994469.db2.gz ZEVFQEMBTIWZFJ-HZPDHXFCSA-N 1 3 311.470 0.953 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270165809 940847986 /nfs/dbraw/zinc/84/79/86/940847986.db2.gz QNKOGLVCLFCUHT-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165809 940847989 /nfs/dbraw/zinc/84/79/89/940847989.db2.gz QNKOGLVCLFCUHT-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001484025584 943087323 /nfs/dbraw/zinc/08/73/23/943087323.db2.gz MTIHGWSYGTXLND-INIZCTEOSA-N 1 3 306.454 0.180 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC001484683909 943515858 /nfs/dbraw/zinc/51/58/58/943515858.db2.gz LFULNTYFSUGWEK-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001485010176 943652273 /nfs/dbraw/zinc/65/22/73/943652273.db2.gz UWAFGJYTQQWFRZ-KRWDZBQOSA-N 1 3 320.481 0.618 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001319592105 945625868 /nfs/dbraw/zinc/62/58/68/945625868.db2.gz GYBPHAIXOOIXSN-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001319592101 945626534 /nfs/dbraw/zinc/62/65/34/945626534.db2.gz GYBPHAIXOOIXSN-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546267 947867896 /nfs/dbraw/zinc/86/78/96/947867896.db2.gz IIUMIQXLQPHLRU-HOTGVXAUSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186816537 947943334 /nfs/dbraw/zinc/94/33/34/947943334.db2.gz ABUZOPIOSIWYPH-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186816537 947943341 /nfs/dbraw/zinc/94/33/41/947943341.db2.gz ABUZOPIOSIWYPH-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001273883359 948655457 /nfs/dbraw/zinc/65/54/57/948655457.db2.gz AHHOCVURUJDUFM-KRWDZBQOSA-N 1 3 309.454 0.990 20 30 DCEDHO CC#CCN(C)CCOCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001264666113 949062875 /nfs/dbraw/zinc/06/28/75/949062875.db2.gz DXVXVLCAVJLLFV-INIZCTEOSA-N 1 3 309.454 0.758 20 30 DCEDHO CC#CCN(C)CCOCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001264666113 949062891 /nfs/dbraw/zinc/06/28/91/949062891.db2.gz DXVXVLCAVJLLFV-INIZCTEOSA-N 1 3 309.454 0.758 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001329621988 949726213 /nfs/dbraw/zinc/72/62/13/949726213.db2.gz ATGKSCHCRCOTAG-CVEARBPZSA-N 1 3 323.481 0.929 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC[C@H](C)O)CC1 ZINC001329621988 949726229 /nfs/dbraw/zinc/72/62/29/949726229.db2.gz ATGKSCHCRCOTAG-CVEARBPZSA-N 1 3 323.481 0.929 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001265673274 949866369 /nfs/dbraw/zinc/86/63/69/949866369.db2.gz BILWFNBRZGGGIP-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001275274022 952041026 /nfs/dbraw/zinc/04/10/26/952041026.db2.gz LKCCATVDSDEYPW-YFKTTZPYSA-N 1 3 310.398 0.137 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001281890289 953404819 /nfs/dbraw/zinc/40/48/19/953404819.db2.gz JMIHXUNHDSHNEL-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001284812841 955266110 /nfs/dbraw/zinc/26/61/10/955266110.db2.gz HSOJIBKXRDWXSD-UHFFFAOYSA-N 1 3 321.465 0.947 20 30 DCEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001380171737 962821427 /nfs/dbraw/zinc/82/14/27/962821427.db2.gz XNBYJFMGHBOCPD-LBPRGKRZSA-N 1 3 315.845 0.946 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001502720939 1016040727 /nfs/dbraw/zinc/04/07/27/1016040727.db2.gz KMISCQDHHDWVSS-DZGCQCFKSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325522 1016252420 /nfs/dbraw/zinc/25/24/20/1016252420.db2.gz ARQQFMCEAFTODZ-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001501139067 1018914748 /nfs/dbraw/zinc/91/47/48/1018914748.db2.gz CBOOEHUIPKTPDY-KGLIPLIRSA-N 1 3 304.394 0.286 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001496238790 1019186143 /nfs/dbraw/zinc/18/61/43/1019186143.db2.gz MXCIWHUMRJYBFG-UKRRQHHQSA-N 1 3 322.453 0.032 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501577543 1019302739 /nfs/dbraw/zinc/30/27/39/1019302739.db2.gz ARIPTSVCPRJJNR-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001496921683 1019760526 /nfs/dbraw/zinc/76/05/26/1019760526.db2.gz AGOCKMHTXRMXSR-HZPDHXFCSA-N 1 3 309.454 0.851 20 30 DCEDHO CN(C)C(=O)CNC(NC1CCN(C2CC2)CC1)=[NH+]C1CC1 ZINC000262326138 238172587 /nfs/dbraw/zinc/17/25/87/238172587.db2.gz TZKSDIBQRYPSLD-UHFFFAOYSA-N 1 3 307.442 0.399 20 30 DCEDHO C#CCNC(=O)CCN[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000491120722 397500060 /nfs/dbraw/zinc/50/00/60/397500060.db2.gz NARYLHXTTJFTIS-HOTGVXAUSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCNC(=O)CCN[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000491120722 397500064 /nfs/dbraw/zinc/50/00/64/397500064.db2.gz NARYLHXTTJFTIS-HOTGVXAUSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCOCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125186579 415862782 /nfs/dbraw/zinc/86/27/82/415862782.db2.gz WISRTSMAQYMMOE-UHFFFAOYSA-N 1 3 307.438 0.701 20 30 DCEDHO C[NH+]=C(NCCn1ccnc1C)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000261769848 416335457 /nfs/dbraw/zinc/33/54/57/416335457.db2.gz NWWNTBJMRNYLDC-DOMZBBRYSA-N 1 3 304.442 0.839 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419736917 416407950 /nfs/dbraw/zinc/40/79/50/416407950.db2.gz XQEYCQCTYRKVLW-DZGCQCFKSA-N 1 3 322.453 0.481 20 30 DCEDHO C#CCNC(=O)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000491714873 416617861 /nfs/dbraw/zinc/61/78/61/416617861.db2.gz HZJCMKZOQBTLOO-CVEARBPZSA-N 1 3 307.438 0.483 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000491728415 416620647 /nfs/dbraw/zinc/62/06/47/416620647.db2.gz MLBBJRJBNJAFHK-UHFFFAOYSA-N 1 3 324.469 0.742 20 30 DCEDHO C=CC[C@]1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000662756240 417891942 /nfs/dbraw/zinc/89/19/42/417891942.db2.gz ILGVYDXRQHVGNJ-SJLPKXTDSA-N 1 3 320.481 0.923 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652692499 417945888 /nfs/dbraw/zinc/94/58/88/417945888.db2.gz WFNXXDNCKDRYQS-UHFFFAOYSA-N 1 3 322.453 0.388 20 30 DCEDHO C(#CC[N@@H+]1CC[C@H]2COC[C@@H]2C1)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662037513 418377133 /nfs/dbraw/zinc/37/71/33/418377133.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 1 3 304.434 0.926 20 30 DCEDHO C(#CC[N@H+]1CC[C@H]2COC[C@@H]2C1)CN1CC[C@@H]2COC[C@@H]2C1 ZINC000662037513 418377134 /nfs/dbraw/zinc/37/71/34/418377134.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 1 3 304.434 0.926 20 30 DCEDHO C(#CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662037513 418377136 /nfs/dbraw/zinc/37/71/36/418377136.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 1 3 304.434 0.926 20 30 DCEDHO C(#CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662037513 418377137 /nfs/dbraw/zinc/37/71/37/418377137.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 1 3 304.434 0.926 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001568278010 1160619368 /nfs/dbraw/zinc/61/93/68/1160619368.db2.gz LJTFOSYIHILUDT-UONOGXRCSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000377370994 526925706 /nfs/dbraw/zinc/92/57/06/526925706.db2.gz BBAJHBZUWMDSLA-JKSUJKDBSA-N 1 3 305.422 0.311 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000377370994 526925713 /nfs/dbraw/zinc/92/57/13/526925713.db2.gz BBAJHBZUWMDSLA-JKSUJKDBSA-N 1 3 305.422 0.311 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000669464937 546974995 /nfs/dbraw/zinc/97/49/95/546974995.db2.gz LWGSNLKMVXEJPJ-HIFRSBDPSA-N 1 3 310.442 0.785 20 30 DCEDHO C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001673676656 1175222525 /nfs/dbraw/zinc/22/25/25/1175222525.db2.gz VDZMKWHUWOBVIT-INIZCTEOSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698836 661765246 /nfs/dbraw/zinc/76/52/46/661765246.db2.gz QPXKFRMFTBHTNI-UERKLNTKSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698836 661765248 /nfs/dbraw/zinc/76/52/48/661765248.db2.gz QPXKFRMFTBHTNI-UERKLNTKSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001032207755 666453331 /nfs/dbraw/zinc/45/33/31/666453331.db2.gz ZJCQCGURHXGEQF-HNNXBMFYSA-N 1 3 319.449 0.416 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000945184230 666580412 /nfs/dbraw/zinc/58/04/12/666580412.db2.gz VVZIMNJWMDYYIP-GOEBONIOSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000945184230 666580413 /nfs/dbraw/zinc/58/04/13/666580413.db2.gz VVZIMNJWMDYYIP-GOEBONIOSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000945184234 666580631 /nfs/dbraw/zinc/58/06/31/666580631.db2.gz VVZIMNJWMDYYIP-ZBFHGGJFSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000945184234 666580632 /nfs/dbraw/zinc/58/06/32/666580632.db2.gz VVZIMNJWMDYYIP-ZBFHGGJFSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCCN1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490382 666730995 /nfs/dbraw/zinc/73/09/95/666730995.db2.gz RIUAEDWCNBERAU-MRXNPFEDSA-N 1 3 317.437 0.614 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001034044711 666906123 /nfs/dbraw/zinc/90/61/23/666906123.db2.gz DMWWKTDOASENOX-NVXWUHKLSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001034044711 666906125 /nfs/dbraw/zinc/90/61/25/666906125.db2.gz DMWWKTDOASENOX-NVXWUHKLSA-N 1 3 321.465 0.635 20 30 DCEDHO N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)C2 ZINC000884248047 667509127 /nfs/dbraw/zinc/50/91/27/667509127.db2.gz KFQSNMXYLUBEAC-VMTBSFNOSA-N 1 3 302.422 0.712 20 30 DCEDHO C#CCN1CCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000878865124 668942798 /nfs/dbraw/zinc/94/27/98/668942798.db2.gz SOBWRJDEPOWANH-UHFFFAOYSA-N 1 3 318.465 0.182 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069314 670053625 /nfs/dbraw/zinc/05/36/25/670053625.db2.gz FTVCLKOVECHDJY-NVXWUHKLSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069314 670053628 /nfs/dbraw/zinc/05/36/28/670053628.db2.gz FTVCLKOVECHDJY-NVXWUHKLSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCC[NH2+]CC1(O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001755152690 1157961422 /nfs/dbraw/zinc/96/14/22/1157961422.db2.gz LFAWXEFHESRZEO-HNNXBMFYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001006446397 670415886 /nfs/dbraw/zinc/41/58/86/670415886.db2.gz YPJHRLOSWWWVFO-HNNXBMFYSA-N 1 3 321.465 0.635 20 30 DCEDHO C#C[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000854776282 670630921 /nfs/dbraw/zinc/63/09/21/670630921.db2.gz DDAZJFWJDWWAIK-HNNXBMFYSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000852360023 671122080 /nfs/dbraw/zinc/12/20/80/671122080.db2.gz SHTYVVSSWRDANB-INIZCTEOSA-N 1 3 322.453 0.494 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000852360023 671122081 /nfs/dbraw/zinc/12/20/81/671122081.db2.gz SHTYVVSSWRDANB-INIZCTEOSA-N 1 3 322.453 0.494 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC000958724797 687877307 /nfs/dbraw/zinc/87/73/07/687877307.db2.gz STJVNLSQPMSUOF-IRXDYDNUSA-N 1 3 319.449 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC000958724797 687877312 /nfs/dbraw/zinc/87/73/12/687877312.db2.gz STJVNLSQPMSUOF-IRXDYDNUSA-N 1 3 319.449 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001016335601 692655389 /nfs/dbraw/zinc/65/53/89/692655389.db2.gz FEDPZPYGXBJKPW-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001016335601 692655391 /nfs/dbraw/zinc/65/53/91/692655391.db2.gz FEDPZPYGXBJKPW-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077027987 695128392 /nfs/dbraw/zinc/12/83/92/695128392.db2.gz UOQJQZXWWPZBBF-ZJIFWQFVSA-N 1 3 309.454 0.844 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001077027987 695128395 /nfs/dbraw/zinc/12/83/95/695128395.db2.gz UOQJQZXWWPZBBF-ZJIFWQFVSA-N 1 3 309.454 0.844 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CCCO)C2CC2)CC1 ZINC001691236623 1157617572 /nfs/dbraw/zinc/61/75/72/1157617572.db2.gz IOYOGCDKAKNXSL-UHFFFAOYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](CCCO)C2CC2)CC1 ZINC001691236623 1157617573 /nfs/dbraw/zinc/61/75/73/1157617573.db2.gz IOYOGCDKAKNXSL-UHFFFAOYSA-N 1 3 307.438 0.295 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001571664764 1162884171 /nfs/dbraw/zinc/88/41/71/1162884171.db2.gz VLKFLGJCPINEGW-XUJLQICISA-N 1 3 324.469 0.454 20 30 DCEDHO C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566033332 1159949726 /nfs/dbraw/zinc/94/97/26/1159949726.db2.gz SGXAZMICRUDSGT-HNNXBMFYSA-N 1 3 309.454 0.942 20 30 DCEDHO C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001566033332 1159949732 /nfs/dbraw/zinc/94/97/32/1159949732.db2.gz SGXAZMICRUDSGT-HNNXBMFYSA-N 1 3 309.454 0.942 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](CC)OC)CC1 ZINC001567082720 1160233246 /nfs/dbraw/zinc/23/32/46/1160233246.db2.gz VEZULEJGNJALFG-GOEBONIOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCOC(C)C)CC1 ZINC001569098873 1160941629 /nfs/dbraw/zinc/94/16/29/1160941629.db2.gz ICDUYRWHNCIINI-HNNXBMFYSA-N 1 3 309.454 0.851 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC#CCOC)CCC2)CC[N@@H+]1C ZINC001570105345 1161423252 /nfs/dbraw/zinc/42/32/52/1161423252.db2.gz RBNZQCUQPUCLHW-JKSUJKDBSA-N 1 3 321.465 0.995 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC#CCOC)CCC2)CC[N@H+]1C ZINC001570105345 1161423259 /nfs/dbraw/zinc/42/32/59/1161423259.db2.gz RBNZQCUQPUCLHW-JKSUJKDBSA-N 1 3 321.465 0.995 20 30 DCEDHO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)CCC1 ZINC001580038208 1165480963 /nfs/dbraw/zinc/48/09/63/1165480963.db2.gz HJHVXGYRJAHNOU-GJZGRUSLSA-N 1 3 318.425 0.819 20 30 DCEDHO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)CCC1 ZINC001580038208 1165480969 /nfs/dbraw/zinc/48/09/69/1165480969.db2.gz HJHVXGYRJAHNOU-GJZGRUSLSA-N 1 3 318.425 0.819 20 30 DCEDHO N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@@]3(C1)CCCC[NH2+]3)C2 ZINC001650405108 1173623866 /nfs/dbraw/zinc/62/38/66/1173623866.db2.gz BNRJWCAWBDQGFG-VVBDHPJYSA-N 1 3 302.422 0.870 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001666454017 1174604177 /nfs/dbraw/zinc/60/41/77/1174604177.db2.gz LJSCEZRBFSWWAR-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO CC#CC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCOCC1 ZINC001671934805 1175046222 /nfs/dbraw/zinc/04/62/22/1175046222.db2.gz JGBBEXHMLGKDHB-UHFFFAOYSA-N 1 3 307.438 0.749 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001672663997 1175140242 /nfs/dbraw/zinc/14/02/42/1175140242.db2.gz DNAHNDZRNGFNTK-MRXNPFEDSA-N 1 3 309.454 0.542 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001672663997 1175140247 /nfs/dbraw/zinc/14/02/47/1175140247.db2.gz DNAHNDZRNGFNTK-MRXNPFEDSA-N 1 3 309.454 0.542 20 30 DCEDHO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001677157119 1175539637 /nfs/dbraw/zinc/53/96/37/1175539637.db2.gz RTSIOKQFEAZXBZ-CVEARBPZSA-N 1 3 309.454 0.634 20 30 DCEDHO C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001677157119 1175539641 /nfs/dbraw/zinc/53/96/41/1175539641.db2.gz RTSIOKQFEAZXBZ-CVEARBPZSA-N 1 3 309.454 0.634 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001691757266 1175654859 /nfs/dbraw/zinc/65/48/59/1175654859.db2.gz DMCVRXRBSHWUSY-BBWFWOEESA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCCN1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001690073092 1177163152 /nfs/dbraw/zinc/16/31/52/1177163152.db2.gz FTNCIAIRKWEMFV-KRWDZBQOSA-N 1 3 320.481 0.638 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)CCC)C2)C1=O ZINC001690255498 1177197787 /nfs/dbraw/zinc/19/77/87/1177197787.db2.gz PPNOQBVUHRQMTM-GJZGRUSLSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001698732529 1177623605 /nfs/dbraw/zinc/62/36/05/1177623605.db2.gz UUEHHPUNLBQKHS-HUUCEWRRSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699419376 1178129915 /nfs/dbraw/zinc/12/99/15/1178129915.db2.gz YGCRTBDUUWVHOC-QWHCGFSZSA-N 1 3 310.442 0.113 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cncn2C)CC1 ZINC001699433247 1178135572 /nfs/dbraw/zinc/13/55/72/1178135572.db2.gz OWGFFKLZYZWWCB-AWEZNQCLSA-N 1 3 317.437 0.360 20 30 DCEDHO C#CCCN1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700006992 1178425878 /nfs/dbraw/zinc/42/58/78/1178425878.db2.gz IAKHQWLBHWYHSY-WBVHZDCISA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCCN1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700006992 1178425883 /nfs/dbraw/zinc/42/58/83/1178425883.db2.gz IAKHQWLBHWYHSY-WBVHZDCISA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157332 1181267353 /nfs/dbraw/zinc/26/73/53/1181267353.db2.gz RUTSIOLGWBUMOE-CVEARBPZSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714278653 1181305263 /nfs/dbraw/zinc/30/52/63/1181305263.db2.gz NEDHIGFESXBDKO-CABCVRRESA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714278653 1181305267 /nfs/dbraw/zinc/30/52/67/1181305267.db2.gz NEDHIGFESXBDKO-CABCVRRESA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001714647062 1181458438 /nfs/dbraw/zinc/45/84/38/1181458438.db2.gz CHUSGUUYWWUAOM-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001714647062 1181458445 /nfs/dbraw/zinc/45/84/45/1181458445.db2.gz CHUSGUUYWWUAOM-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C)C1=O ZINC001716411890 1182379771 /nfs/dbraw/zinc/37/97/71/1182379771.db2.gz CAOUCCMQLZQXRR-MCIONIFRSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001724925033 1184623423 /nfs/dbraw/zinc/62/34/23/1184623423.db2.gz DKYZNUKUKSHKFJ-RRFJBIMHSA-N 1 3 322.453 0.352 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC=C)CC1 ZINC001725724139 1184975829 /nfs/dbraw/zinc/97/58/29/1184975829.db2.gz NIJIINRIKDYXOS-MRXNPFEDSA-N 1 3 307.438 0.269 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC=C)CC1 ZINC001725724139 1184975833 /nfs/dbraw/zinc/97/58/33/1184975833.db2.gz NIJIINRIKDYXOS-MRXNPFEDSA-N 1 3 307.438 0.269 20 30 DCEDHO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001732175697 1185720396 /nfs/dbraw/zinc/72/03/96/1185720396.db2.gz KXSVUWBXZABZSC-JKSUJKDBSA-N 1 3 307.438 0.511 20 30 DCEDHO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001732175697 1185720400 /nfs/dbraw/zinc/72/04/00/1185720400.db2.gz KXSVUWBXZABZSC-JKSUJKDBSA-N 1 3 307.438 0.511 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001732455095 1185823867 /nfs/dbraw/zinc/82/38/67/1185823867.db2.gz SOCPMUQMRHWLHC-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001733487381 1186295495 /nfs/dbraw/zinc/29/54/95/1186295495.db2.gz TZLUMSFSOBLPFS-QGZVFWFLSA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001733487381 1186295520 /nfs/dbraw/zinc/29/55/20/1186295520.db2.gz TZLUMSFSOBLPFS-QGZVFWFLSA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733982040 1186514464 /nfs/dbraw/zinc/51/44/64/1186514464.db2.gz CBNACOHSTYIAQW-KGLIPLIRSA-N 1 3 322.453 0.093 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753218793 1188538461 /nfs/dbraw/zinc/53/84/61/1188538461.db2.gz BANBTLIZRPSMLO-AWEZNQCLSA-N 1 3 324.469 0.600 20 30 DCEDHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC#CCOC)C1 ZINC001753222839 1188540091 /nfs/dbraw/zinc/54/00/91/1188540091.db2.gz PHJQFKPZPKFHSD-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC#CCOC)C1 ZINC001753222839 1188540093 /nfs/dbraw/zinc/54/00/93/1188540093.db2.gz PHJQFKPZPKFHSD-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001753729230 1188648205 /nfs/dbraw/zinc/64/82/05/1188648205.db2.gz IVFYFRFXNUJCMR-CVEARBPZSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+][C@H](C)COC)CC1 ZINC001754210131 1188788126 /nfs/dbraw/zinc/78/81/26/1188788126.db2.gz RFHPTWHIMPPHAW-LLYBFZRZSA-N 1 3 307.438 0.629 20 30 DCEDHO C#CC[NH2+]C1CCN(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001754850558 1188948379 /nfs/dbraw/zinc/94/83/79/1188948379.db2.gz MQTNFZJZXKPLRN-HNNXBMFYSA-N 1 3 306.454 0.132 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001754909619 1188971630 /nfs/dbraw/zinc/97/16/30/1188971630.db2.gz ZIIVDVWZHVAXLN-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755682424 1189183756 /nfs/dbraw/zinc/18/37/56/1189183756.db2.gz SIQPQYZTEIAORD-UONOGXRCSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626697 747436483 /nfs/dbraw/zinc/43/64/83/747436483.db2.gz FTOOLBKIJMAIQH-HNNXBMFYSA-N 1 3 322.453 0.095 20 30 DCEDHO CC#CC[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572449 747446851 /nfs/dbraw/zinc/44/68/51/747446851.db2.gz IHWIKZLEHSWNPQ-UHFFFAOYSA-N 1 3 309.454 0.635 20 30 DCEDHO CC#CC[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572449 747446858 /nfs/dbraw/zinc/44/68/58/747446858.db2.gz IHWIKZLEHSWNPQ-UHFFFAOYSA-N 1 3 309.454 0.635 20 30 DCEDHO COCC#CC[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345555 749926394 /nfs/dbraw/zinc/92/63/94/749926394.db2.gz QFURBCSIXKIEEF-UHFFFAOYSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001101024862 749955904 /nfs/dbraw/zinc/95/59/04/749955904.db2.gz JNNZGSYDUKRLKJ-HPUBIQBYSA-N 1 3 321.465 0.851 20 30 DCEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001121916481 750942500 /nfs/dbraw/zinc/94/25/00/750942500.db2.gz AEUFMEGCHXWJKZ-HNNXBMFYSA-N 1 3 322.453 0.437 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633627 751209364 /nfs/dbraw/zinc/20/93/64/751209364.db2.gz QFMSWEWMNKGEQR-BRWVUGGUSA-N 1 3 323.481 0.907 20 30 DCEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CCN(CC#C)CC2)C12CCC2 ZINC001078818918 753393181 /nfs/dbraw/zinc/39/31/81/753393181.db2.gz FOMOKXFJSNBUAQ-IAGOWNOFSA-N 1 3 313.445 0.982 20 30 DCEDHO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001052118796 759192206 /nfs/dbraw/zinc/19/22/06/759192206.db2.gz XUYJHFLJYHPFKC-QGZVFWFLSA-N 1 3 320.481 0.877 20 30 DCEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732056 759244849 /nfs/dbraw/zinc/24/48/49/759244849.db2.gz QGHVZEVAYTYTPP-GARNVTTQSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732056 759244857 /nfs/dbraw/zinc/24/48/57/759244857.db2.gz QGHVZEVAYTYTPP-GARNVTTQSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732057 759245763 /nfs/dbraw/zinc/24/57/63/759245763.db2.gz QGHVZEVAYTYTPP-LPMVOBIJSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732057 759245771 /nfs/dbraw/zinc/24/57/71/759245771.db2.gz QGHVZEVAYTYTPP-LPMVOBIJSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070274214 761160211 /nfs/dbraw/zinc/16/02/11/761160211.db2.gz XHZUMFLACDHJDG-ZNMIVQPWSA-N 1 3 318.425 0.290 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421663 762933326 /nfs/dbraw/zinc/93/33/26/762933326.db2.gz BKWWVCHIGAABIM-HUUCEWRRSA-N 1 3 324.469 0.646 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421663 762933328 /nfs/dbraw/zinc/93/33/28/762933328.db2.gz BKWWVCHIGAABIM-HUUCEWRRSA-N 1 3 324.469 0.646 20 30 DCEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107384 763127658 /nfs/dbraw/zinc/12/76/58/763127658.db2.gz NRMVUTZMBJIYAT-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100406009 763556054 /nfs/dbraw/zinc/55/60/54/763556054.db2.gz XKLBFZVKNLQROT-UHFFFAOYSA-N 1 3 322.453 0.257 20 30 DCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+](CC#C)C[C@@]3(C)C2)CC1 ZINC001092300553 768260754 /nfs/dbraw/zinc/26/07/54/768260754.db2.gz ZCYNEEAYAKKHFU-MJGOQNOKSA-N 1 3 313.445 0.745 20 30 DCEDHO 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DCEDHO N#Cc1nc2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2s1 ZINC001218910254 774324420 /nfs/dbraw/zinc/32/44/20/774324420.db2.gz GYLCSZJTPLRDSD-SNVBAGLBSA-N 1 3 313.386 0.915 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528479 774362769 /nfs/dbraw/zinc/36/27/69/774362769.db2.gz LPWXTKHZDWOIPZ-CVEARBPZSA-N 1 3 305.422 0.169 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553921 774363386 /nfs/dbraw/zinc/36/33/86/774363386.db2.gz CDWJNKKWAJBTPC-YESZJQIVSA-N 1 3 321.465 0.947 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553921 774363394 /nfs/dbraw/zinc/36/33/94/774363394.db2.gz CDWJNKKWAJBTPC-YESZJQIVSA-N 1 3 321.465 0.947 20 30 DCEDHO COc1cc(C#N)c(F)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219109817 774375098 /nfs/dbraw/zinc/37/50/98/774375098.db2.gz CIIHNJNJCRTKAY-AWEZNQCLSA-N 1 3 306.341 0.971 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CCCO1 ZINC001200687631 774390337 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C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852216 776254927 /nfs/dbraw/zinc/25/49/27/776254927.db2.gz OLZQJDIEGPWSNP-AIANPOQGSA-N 1 3 307.438 0.720 20 30 DCEDHO C#CC[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001279453686 939176355 /nfs/dbraw/zinc/17/63/55/939176355.db2.gz MMRXTTCMWANICR-MRXNPFEDSA-N 1 3 308.470 0.376 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267071868 939331556 /nfs/dbraw/zinc/33/15/56/939331556.db2.gz YAROONVYSPQNBL-CQSZACIVSA-N 1 3 310.442 0.067 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCOC)CC1 ZINC001267281067 939413557 /nfs/dbraw/zinc/41/35/57/939413557.db2.gz FTUADNWVCGHYNC-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCOC)CC1 ZINC001267281067 939413558 /nfs/dbraw/zinc/41/35/58/939413558.db2.gz FTUADNWVCGHYNC-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267562002 939500664 /nfs/dbraw/zinc/50/06/64/939500664.db2.gz 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0.455 20 30 DCEDHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001278608357 945683317 /nfs/dbraw/zinc/68/33/17/945683317.db2.gz LADMAEUCAHNAFP-HZPDHXFCSA-N 1 3 309.454 0.853 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320811073 946026668 /nfs/dbraw/zinc/02/66/68/946026668.db2.gz INIUWGRYYXCHRG-UHFFFAOYSA-N 1 3 309.454 0.949 20 30 DCEDHO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001325097585 947647888 /nfs/dbraw/zinc/64/78/88/947647888.db2.gz MKSGZZBRWMRJQO-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001325097585 947647895 /nfs/dbraw/zinc/64/78/95/947647895.db2.gz MKSGZZBRWMRJQO-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179549990 947867637 /nfs/dbraw/zinc/86/76/37/947867637.db2.gz OYBNYASQYPTIAU-IHRRRGAJSA-N 1 3 310.442 0.208 20 30 DCEDHO C=C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001273881488 948653303 /nfs/dbraw/zinc/65/33/03/948653303.db2.gz OFUDSVJGOOVZFX-OAHLLOKOSA-N 1 3 309.454 0.800 20 30 DCEDHO COCC#CC[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001327928078 948666514 /nfs/dbraw/zinc/66/65/14/948666514.db2.gz ZCYHLPZIFUYTGK-IRXDYDNUSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1OCC ZINC001263967821 948818819 /nfs/dbraw/zinc/81/88/19/948818819.db2.gz CPVZEQCJLLVNRQ-GDBMZVCRSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001265378482 949643839 /nfs/dbraw/zinc/64/38/39/949643839.db2.gz MBLZFMMMEMEEHB-JKSUJKDBSA-N 1 3 309.454 0.707 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265441863 949689036 /nfs/dbraw/zinc/68/90/36/949689036.db2.gz WYACMFJXZTZGSI-HNNXBMFYSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001490368306 950605148 /nfs/dbraw/zinc/60/51/48/950605148.db2.gz ZZVLTFTYPLQYCI-INIZCTEOSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001490368306 950605165 /nfs/dbraw/zinc/60/51/65/950605165.db2.gz ZZVLTFTYPLQYCI-INIZCTEOSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502768 952205884 /nfs/dbraw/zinc/20/58/84/952205884.db2.gz NYGVCAZTJVNIJU-KBPBESRZSA-N 1 3 324.469 0.503 20 30 DCEDHO C#CCNCC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001343686836 953364678 /nfs/dbraw/zinc/36/46/78/953364678.db2.gz PRALSQYSISOCBU-UHFFFAOYSA-N 1 3 314.433 0.319 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283617891 954487498 /nfs/dbraw/zinc/48/74/98/954487498.db2.gz MYFUBPUSVBWGAF-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001283617891 954487501 /nfs/dbraw/zinc/48/75/01/954487501.db2.gz MYFUBPUSVBWGAF-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCN1CCC(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001353534905 956096746 /nfs/dbraw/zinc/09/67/46/956096746.db2.gz LRILOOOHQOQUBY-UHFFFAOYSA-N 1 3 306.410 0.652 20 30 DCEDHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001367625539 958208740 /nfs/dbraw/zinc/20/87/40/958208740.db2.gz SWSCPQHMUSEWBA-HOTGVXAUSA-N 1 3 318.421 0.465 20 30 DCEDHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)C1 ZINC001379281597 962533950 /nfs/dbraw/zinc/53/39/50/962533950.db2.gz FEDFWGGWYPMJEV-NEPJUHHUSA-N 1 3 322.434 0.138 20 30 DCEDHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)C1 ZINC001379281597 962533963 /nfs/dbraw/zinc/53/39/63/962533963.db2.gz FEDFWGGWYPMJEV-NEPJUHHUSA-N 1 3 322.434 0.138 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001507155031 1016039407 /nfs/dbraw/zinc/03/94/07/1016039407.db2.gz PXLAEUDCDMZNCY-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507163229 1016046527 /nfs/dbraw/zinc/04/65/27/1016046527.db2.gz TWLMONQCFVPHJB-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065425 1016969552 /nfs/dbraw/zinc/96/95/52/1016969552.db2.gz OVFGEXQIFDCDBJ-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065425 1016969566 /nfs/dbraw/zinc/96/95/66/1016969566.db2.gz OVFGEXQIFDCDBJ-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001424530847 1012622089 /nfs/dbraw/zinc/62/20/89/1012622089.db2.gz PQAKZVLSRQMZFY-CYBMUJFWSA-N 1 3 315.845 0.634 20 30 DCEDHO C=C(Cl)CNCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001424530847 1012622102 /nfs/dbraw/zinc/62/21/02/1012622102.db2.gz PQAKZVLSRQMZFY-CYBMUJFWSA-N 1 3 315.845 0.634 20 30 DCEDHO COCC#CC[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001506973946 1017726258 /nfs/dbraw/zinc/72/62/58/1017726258.db2.gz AZFNJSWSAUGEOC-UHFFFAOYSA-N 1 3 309.454 0.899 20 30 DCEDHO COCC#CC[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001506973946 1017726266 /nfs/dbraw/zinc/72/62/66/1017726266.db2.gz AZFNJSWSAUGEOC-UHFFFAOYSA-N 1 3 309.454 0.899 20 30 DCEDHO CC#CCNC1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001499377955 1017897219 /nfs/dbraw/zinc/89/72/19/1017897219.db2.gz UWGHUAWJFVFKLR-UHFFFAOYSA-N 1 3 303.410 0.320 20 30 DCEDHO C=CCCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479931469 1017992825 /nfs/dbraw/zinc/99/28/25/1017992825.db2.gz XZHONOPBBMCRGY-HZPDHXFCSA-N 1 3 308.470 0.637 20 30 DCEDHO C=CCCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479931469 1017992832 /nfs/dbraw/zinc/99/28/32/1017992832.db2.gz XZHONOPBBMCRGY-HZPDHXFCSA-N 1 3 308.470 0.637 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001499857819 1018106586 /nfs/dbraw/zinc/10/65/86/1018106586.db2.gz NYZVZRTXHCKXNJ-CABCVRRESA-N 1 3 322.453 0.045 20 30 DCEDHO COCC#CCNC/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001497767207 1018399164 /nfs/dbraw/zinc/39/91/64/1018399164.db2.gz ZEVNOBQUMNGWFS-ONEGZZNKSA-N 1 3 307.438 0.774 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001480595816 1018693109 /nfs/dbraw/zinc/69/31/09/1018693109.db2.gz DIRYKULXJGGZNE-OAHLLOKOSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CC[N@H+](C)CCCNCCS(=O)(=O)Oc1ccccc1 ZINC000491621412 241126864 /nfs/dbraw/zinc/12/68/64/241126864.db2.gz HBDWIEZSXCQROS-UHFFFAOYSA-N 1 3 310.419 0.940 20 30 DCEDHO C#CC[N@@H+](C)CCCNCCS(=O)(=O)Oc1ccccc1 ZINC000491621412 241126869 /nfs/dbraw/zinc/12/68/69/241126869.db2.gz HBDWIEZSXCQROS-UHFFFAOYSA-N 1 3 310.419 0.940 20 30 DCEDHO C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073436481 396145967 /nfs/dbraw/zinc/14/59/67/396145967.db2.gz XRAIOLRGEIHNHG-CQSZACIVSA-N 1 3 322.453 0.163 20 30 DCEDHO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C1=CCN(C)CC1 ZINC000330789220 416238615 /nfs/dbraw/zinc/23/86/15/416238615.db2.gz RTWYRIOUGJXJRV-ZDUSSCGKSA-N 1 3 320.441 1.421 20 30 DCEDHO CN(C)CCN(C)c1nc(N(C)CC[NH+](C)C)ccc1C#N ZINC000195267017 416325923 /nfs/dbraw/zinc/32/59/23/416325923.db2.gz WIRNBDREJACOFI-UHFFFAOYSA-N 1 3 304.442 0.949 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000419723450 416406481 /nfs/dbraw/zinc/40/64/81/416406481.db2.gz FYODYDTZPHOIIR-HNNXBMFYSA-N 1 3 322.453 0.354 20 30 DCEDHO C[C@@H]1C[C@H](CO)CN(CC#CC[N@@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953873 416419846 /nfs/dbraw/zinc/41/98/46/416419846.db2.gz YYCXJPSAWJJUEV-BDXSIMOUSA-N 1 3 308.466 0.890 20 30 DCEDHO C[C@@H]1C[C@H](CO)CN(CC#CC[N@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953873 416419848 /nfs/dbraw/zinc/41/98/48/416419848.db2.gz YYCXJPSAWJJUEV-BDXSIMOUSA-N 1 3 308.466 0.890 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000491266132 416592513 /nfs/dbraw/zinc/59/25/13/416592513.db2.gz NUZPIMITMTVWFQ-MRXNPFEDSA-N 1 3 324.469 0.334 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000562800413 416870141 /nfs/dbraw/zinc/87/01/41/416870141.db2.gz QEWWTMWHWXKGBU-OAHLLOKOSA-N 1 3 309.458 0.311 20 30 DCEDHO CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CCN(C)CC1 ZINC000565714338 417010610 /nfs/dbraw/zinc/01/06/10/417010610.db2.gz IWLPCMMJRXICJY-CABCVRRESA-N 1 3 309.458 0.396 20 30 DCEDHO C=CC[C@@]1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCC[NH2+]1 ZINC000662756466 417892469 /nfs/dbraw/zinc/89/24/69/417892469.db2.gz HXOAJXOPWGXFPD-WBVHZDCISA-N 1 3 308.470 0.827 20 30 DCEDHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000329919441 336095409 /nfs/dbraw/zinc/09/54/09/336095409.db2.gz DGPJTRVGMWQTMC-AWEZNQCLSA-N 1 3 311.474 0.610 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568991838 1160910857 /nfs/dbraw/zinc/91/08/57/1160910857.db2.gz LXGRHCNCNMYCTA-ZIAGYGMSSA-N 1 3 310.442 0.256 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568991838 1160910864 /nfs/dbraw/zinc/91/08/64/1160910864.db2.gz LXGRHCNCNMYCTA-ZIAGYGMSSA-N 1 3 310.442 0.256 20 30 DCEDHO C[NH+]=C(NCCn1cncn1)N1CC[C@H](N2CCCCC2)C1 ZINC000262491589 526368698 /nfs/dbraw/zinc/36/86/98/526368698.db2.gz VCWWNDJLKGSOEQ-AWEZNQCLSA-N 1 3 305.430 0.414 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264308408 529100161 /nfs/dbraw/zinc/10/01/61/529100161.db2.gz UMRGRRUJMLMYBG-JKSUJKDBSA-N 1 3 304.438 0.979 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264094667 529100467 /nfs/dbraw/zinc/10/04/67/529100467.db2.gz LPIQHZLDCHNFMA-HNNXBMFYSA-N 1 3 317.437 0.805 20 30 DCEDHO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001671999377 1175058716 /nfs/dbraw/zinc/05/87/16/1175058716.db2.gz XBDKXINAFJNXHH-NVXWUHKLSA-N 1 3 307.438 0.436 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001671999377 1175058721 /nfs/dbraw/zinc/05/87/21/1175058721.db2.gz XBDKXINAFJNXHH-NVXWUHKLSA-N 1 3 307.438 0.436 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCO)C2)CC1 ZINC001027693551 660626082 /nfs/dbraw/zinc/62/60/82/660626082.db2.gz FICVJRZWTOVMNE-MRXNPFEDSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCO)C2)CC1 ZINC001027693551 660626084 /nfs/dbraw/zinc/62/60/84/660626084.db2.gz FICVJRZWTOVMNE-MRXNPFEDSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCCN1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969686516 658079306 /nfs/dbraw/zinc/07/93/06/658079306.db2.gz FTRXICQNJYXYAU-CQSZACIVSA-N 1 3 317.437 0.518 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001029003005 661929986 /nfs/dbraw/zinc/92/99/86/661929986.db2.gz GMFXIHMFXIFZLO-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001029003005 661929988 /nfs/dbraw/zinc/92/99/88/661929988.db2.gz GMFXIHMFXIFZLO-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO CCOCCCNC(=[NH2+])NC[C@H](C)CN1CCN(CC)CC1 ZINC000303886343 662458951 /nfs/dbraw/zinc/45/89/51/662458951.db2.gz NQSHLTFTVRQWHV-HNNXBMFYSA-N 1 3 313.490 0.591 20 30 DCEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543348 662476124 /nfs/dbraw/zinc/47/61/24/662476124.db2.gz MFGLONPUCBZCTO-HQVVEAJESA-N 1 3 319.449 0.958 20 30 DCEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543348 662476125 /nfs/dbraw/zinc/47/61/25/662476125.db2.gz MFGLONPUCBZCTO-HQVVEAJESA-N 1 3 319.449 0.958 20 30 DCEDHO C#CCN(C(=O)N[C@H]1CCN(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000918882809 665187696 /nfs/dbraw/zinc/18/76/96/665187696.db2.gz NWFNBOBBRCUNJS-AWEZNQCLSA-N 1 3 304.438 0.962 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCCO)CC2)CC1 ZINC001002144429 666135757 /nfs/dbraw/zinc/13/57/57/666135757.db2.gz FUIBRVPIACNMBZ-UHFFFAOYSA-N 1 3 321.465 0.542 20 30 DCEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278129 666659002 /nfs/dbraw/zinc/65/90/02/666659002.db2.gz MDNIVWLPLMVGHN-BNQMIIOLSA-N 1 3 319.449 0.958 20 30 DCEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278129 666659003 /nfs/dbraw/zinc/65/90/03/666659003.db2.gz MDNIVWLPLMVGHN-BNQMIIOLSA-N 1 3 319.449 0.958 20 30 DCEDHO C[C@@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)C[NH+]1CCCC1 ZINC000884195653 667494900 /nfs/dbraw/zinc/49/49/00/667494900.db2.gz VFVKHXVSIAZFKN-UJEKJILKSA-N 1 3 304.438 0.974 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000884642545 667581266 /nfs/dbraw/zinc/58/12/66/667581266.db2.gz LSGXEZYJHXPACX-UHFFFAOYSA-N 1 3 324.469 0.731 20 30 DCEDHO C#CCN(C(=O)COC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000886571239 667777305 /nfs/dbraw/zinc/77/73/05/667777305.db2.gz OABMVSIPMBXJHB-UHFFFAOYSA-N 1 3 307.438 0.653 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876776290 668508768 /nfs/dbraw/zinc/50/87/68/668508768.db2.gz HDTKRRIMDCRGOC-ZDUSSCGKSA-N 1 3 302.850 0.599 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@H](C)O)CC1 ZINC001024812398 693836471 /nfs/dbraw/zinc/83/64/71/693836471.db2.gz OJHNPWQBAFMATF-DOTOQJQBSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@H](C)O)CC1 ZINC001024812398 693836475 /nfs/dbraw/zinc/83/64/75/693836475.db2.gz OJHNPWQBAFMATF-DOTOQJQBSA-N 1 3 321.465 0.683 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304741348 685211908 /nfs/dbraw/zinc/21/19/08/685211908.db2.gz 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CC#CCNC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001733743460 1186427567 /nfs/dbraw/zinc/42/75/67/1186427567.db2.gz NQMHQIWUUGLCEF-IRXDYDNUSA-N 1 3 321.465 0.949 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001733743460 1186427571 /nfs/dbraw/zinc/42/75/71/1186427571.db2.gz NQMHQIWUUGLCEF-IRXDYDNUSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001734167017 1186566435 /nfs/dbraw/zinc/56/64/35/1186566435.db2.gz FTHSNUCVQXLEEM-PHZGNYQRSA-N 1 3 307.438 0.272 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001734347587 1186619923 /nfs/dbraw/zinc/61/99/23/1186619923.db2.gz SUXAHSWJOZJHEA-CQSZACIVSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001734354635 1186620849 /nfs/dbraw/zinc/62/08/49/1186620849.db2.gz LTIYGFYHMBZPGD-LSDHHAIUSA-N 1 3 322.453 0.306 20 30 DCEDHO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001734528313 1186678400 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DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001086558320 761912695 /nfs/dbraw/zinc/91/26/95/761912695.db2.gz BTIGVMSVTOQYQP-DZKIICNBSA-N 1 3 307.438 0.197 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127972 750214677 /nfs/dbraw/zinc/21/46/77/750214677.db2.gz RQLYFEHLCGZNTK-ARFHVFGLSA-N 1 3 309.454 0.702 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127972 750214683 /nfs/dbraw/zinc/21/46/83/750214683.db2.gz RQLYFEHLCGZNTK-ARFHVFGLSA-N 1 3 309.454 0.702 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)C[C@H]2O)CC1 ZINC001078227119 753122505 /nfs/dbraw/zinc/12/25/05/753122505.db2.gz JUMVJLKMVUHCSQ-IAGOWNOFSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2O)CC1 ZINC001078227119 753122511 /nfs/dbraw/zinc/12/25/11/753122511.db2.gz JUMVJLKMVUHCSQ-IAGOWNOFSA-N 1 3 321.465 0.539 20 30 DCEDHO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082979 753471947 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C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)CN(CC)CC ZINC001245998978 945310897 /nfs/dbraw/zinc/31/08/97/945310897.db2.gz IBEXETMKHPMRTM-GJZGRUSLSA-N 1 3 315.458 0.506 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339027 941005667 /nfs/dbraw/zinc/00/56/67/941005667.db2.gz MIFOKURLQWPVMZ-CQSZACIVSA-N 1 3 324.469 0.457 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484355317 943333668 /nfs/dbraw/zinc/33/36/68/943333668.db2.gz FQPSAEFPYQCUSJ-HOTGVXAUSA-N 1 3 307.438 0.559 20 30 DCEDHO C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001484849854 943596249 /nfs/dbraw/zinc/59/62/49/943596249.db2.gz ZTGZTWSULDZAQR-RDJZCZTQSA-N 1 3 309.454 0.847 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133475 944587432 /nfs/dbraw/zinc/58/74/32/944587432.db2.gz COCKVOPZNQHBRL-KGLIPLIRSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001317128428 944813830 /nfs/dbraw/zinc/81/38/30/944813830.db2.gz OOHQCVRYHSHFND-ZNMIVQPWSA-N 1 3 322.453 0.350 20 30 DCEDHO C=CCN1CC[C@@]2(CCCN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246704924 945464791 /nfs/dbraw/zinc/46/47/91/945464791.db2.gz QKJXEKIGSVQANY-NVXWUHKLSA-N 1 3 318.465 0.581 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001319592103 945626819 /nfs/dbraw/zinc/62/68/19/945626819.db2.gz GYBPHAIXOOIXSN-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001273375285 946915894 /nfs/dbraw/zinc/91/58/94/946915894.db2.gz RJOZAEKFALVNBE-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001273375285 946915900 /nfs/dbraw/zinc/91/59/00/946915900.db2.gz RJOZAEKFALVNBE-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCOCC1 ZINC001325006001 947608147 /nfs/dbraw/zinc/60/81/47/947608147.db2.gz WYRGYNXQYAGATJ-HNNXBMFYSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CCCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001263099667 947807737 /nfs/dbraw/zinc/80/77/37/947807737.db2.gz QUJLMEHDNZHFEK-CABCVRRESA-N 1 3 324.469 0.729 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001273465713 947905556 /nfs/dbraw/zinc/90/55/56/947905556.db2.gz LTVHZAWIEFBKJV-SJORKVTESA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001273465713 947905561 /nfs/dbraw/zinc/90/55/61/947905561.db2.gz LTVHZAWIEFBKJV-SJORKVTESA-N 1 3 321.465 0.949 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001326053844 948034382 /nfs/dbraw/zinc/03/43/82/948034382.db2.gz ZSAGILJDDQHILY-INIZCTEOSA-N 1 3 309.454 0.541 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001326053844 948034387 /nfs/dbraw/zinc/03/43/87/948034387.db2.gz ZSAGILJDDQHILY-INIZCTEOSA-N 1 3 309.454 0.541 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001326589081 948206870 /nfs/dbraw/zinc/20/68/70/948206870.db2.gz NOMRCFGMNBZNSE-BARDWOONSA-N 1 3 308.426 0.895 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001327603297 948566327 /nfs/dbraw/zinc/56/63/27/948566327.db2.gz LXRRIFYWDRQUTJ-WBVHZDCISA-N 1 3 309.454 0.539 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001327928077 948666143 /nfs/dbraw/zinc/66/61/43/948666143.db2.gz ZCYHLPZIFUYTGK-DLBZAZTESA-N 1 3 321.465 0.805 20 30 DCEDHO C=C(C)CN1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001328530700 948946530 /nfs/dbraw/zinc/94/65/30/948946530.db2.gz SCZWRHHJJKRRJH-INIZCTEOSA-N 1 3 321.465 0.847 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)[C@@H]1CCCN1C ZINC001265104486 949309730 /nfs/dbraw/zinc/30/97/30/949309730.db2.gz UOSNDIYLABHOOZ-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCCNC(=O)[C@@H]1CCCN1C ZINC001265104486 949309755 /nfs/dbraw/zinc/30/97/55/949309755.db2.gz UOSNDIYLABHOOZ-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001265483016 949719997 /nfs/dbraw/zinc/71/99/97/949719997.db2.gz GQQJKMFCFOOPRP-AJNGGQMLSA-N 1 3 324.469 0.500 20 30 DCEDHO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001331786310 951320160 /nfs/dbraw/zinc/32/01/60/951320160.db2.gz BNUWKGPYIAYHPS-XJKSGUPXSA-N 1 3 313.417 0.289 20 30 DCEDHO C=C(CC[NH+](C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001332390206 951626155 /nfs/dbraw/zinc/62/61/55/951626155.db2.gz DRZGHNCEDBXSFY-HNNXBMFYSA-N 1 3 324.469 0.553 20 30 DCEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274619862 951748055 /nfs/dbraw/zinc/74/80/55/951748055.db2.gz FEMQLDWQPXPCQE-WBVHZDCISA-N 1 3 309.454 0.800 20 30 DCEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274619862 951748059 /nfs/dbraw/zinc/74/80/59/951748059.db2.gz FEMQLDWQPXPCQE-WBVHZDCISA-N 1 3 309.454 0.800 20 30 DCEDHO C#CCNC(=O)[C@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001332855515 951826188 /nfs/dbraw/zinc/82/61/88/951826188.db2.gz DCPGUAKYNQGXCU-UONOGXRCSA-N 1 3 324.469 0.197 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001281893401 953407419 /nfs/dbraw/zinc/40/74/19/953407419.db2.gz RVYRZZGWFJMRDB-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001281893401 953407424 /nfs/dbraw/zinc/40/74/24/953407424.db2.gz RVYRZZGWFJMRDB-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243537 953531846 /nfs/dbraw/zinc/53/18/46/953531846.db2.gz XHMBVJQCWHJVAK-CVEARBPZSA-N 1 3 319.449 0.464 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001347853815 954174936 /nfs/dbraw/zinc/17/49/36/954174936.db2.gz PAWUDYGJJFZSQS-OWCLPIDISA-N 1 3 321.469 0.018 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001347853815 954174944 /nfs/dbraw/zinc/17/49/44/954174944.db2.gz PAWUDYGJJFZSQS-OWCLPIDISA-N 1 3 321.469 0.018 20 30 DCEDHO C=CCC[NH+]1CCN(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001316964875 960326959 /nfs/dbraw/zinc/32/69/59/960326959.db2.gz JDIMTLHVZGRTFB-UHFFFAOYSA-N 1 3 308.470 0.781 20 30 DCEDHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)C1 ZINC001379281661 962535276 /nfs/dbraw/zinc/53/52/76/962535276.db2.gz FEDFWGGWYPMJEV-RYUDHWBXSA-N 1 3 322.434 0.138 20 30 DCEDHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccc(C#N)s2)C1 ZINC001379281661 962535288 /nfs/dbraw/zinc/53/52/88/962535288.db2.gz FEDFWGGWYPMJEV-RYUDHWBXSA-N 1 3 322.434 0.138 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@H](CO)NCc1ccc(C#N)cc1 ZINC001379470045 962997447 /nfs/dbraw/zinc/99/74/47/962997447.db2.gz RPSHVDXQTPJKDC-OAHLLOKOSA-N 1 3 304.394 0.077 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507029734 1015902309 /nfs/dbraw/zinc/90/23/09/1015902309.db2.gz YYJPVDAHPQOAJF-WBVHZDCISA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CC=C(C)C)CC1 ZINC001507265762 1016198608 /nfs/dbraw/zinc/19/86/08/1016198608.db2.gz UJTUEIALNPHSTM-MRXNPFEDSA-N 1 3 307.438 0.365 20 30 DCEDHO C#CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325524 1016253268 /nfs/dbraw/zinc/25/32/68/1016253268.db2.gz ARQQFMCEAFTODZ-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO N#Cc1ccccc1CNC[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001445268971 1011600594 /nfs/dbraw/zinc/60/05/94/1011600594.db2.gz LKDGVXMIAGAMFK-INIZCTEOSA-N 1 3 316.405 0.221 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1OCC ZINC001479536747 1017579299 /nfs/dbraw/zinc/57/92/99/1017579299.db2.gz JQYXCMZWTLXPDY-OAGGEKHMSA-N 1 3 309.454 0.659 20 30 DCEDHO CN(C)CC#CCNC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001479566346 1017585630 /nfs/dbraw/zinc/58/56/30/1017585630.db2.gz KMMYANKWRRRAHV-UHFFFAOYSA-N 1 3 315.421 0.915 20 30 DCEDHO CN(C)CC#CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC001479621277 1017608750 /nfs/dbraw/zinc/60/87/50/1017608750.db2.gz VORDCKAOMXUMPF-UHFFFAOYSA-N 1 3 306.410 0.918 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCOC)CC1 ZINC001498455857 1019135382 /nfs/dbraw/zinc/13/53/82/1019135382.db2.gz KWNXHDJLMJJODO-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCOC)CC1 ZINC001498455857 1019135385 /nfs/dbraw/zinc/13/53/85/1019135385.db2.gz KWNXHDJLMJJODO-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481765 1019345889 /nfs/dbraw/zinc/34/58/89/1019345889.db2.gz OXVVEZAQXGCWPI-CABCVRRESA-N 1 3 324.469 0.457 20 30 DCEDHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)NC1CC1 ZINC000264065549 238188120 /nfs/dbraw/zinc/18/81/20/238188120.db2.gz AYRRVSNYQCCZKK-UHFFFAOYSA-N 1 3 302.426 0.660 20 30 DCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000120151277 395881257 /nfs/dbraw/zinc/88/12/57/395881257.db2.gz CTEOXUZAFLUZJL-UHFFFAOYSA-N 1 3 321.429 0.754 20 30 DCEDHO CC1CCN(C(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000303376434 396725057 /nfs/dbraw/zinc/72/50/57/396725057.db2.gz OIWNFRRGUHFTQY-HNNXBMFYSA-N 1 3 323.485 0.976 20 30 DCEDHO CN1CCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000330870556 396865715 /nfs/dbraw/zinc/86/57/15/396865715.db2.gz QQCWFISPWGXWMU-OAHLLOKOSA-N 1 3 312.458 0.773 20 30 DCEDHO CN1CCC[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000330870556 396865717 /nfs/dbraw/zinc/86/57/17/396865717.db2.gz QQCWFISPWGXWMU-OAHLLOKOSA-N 1 3 312.458 0.773 20 30 DCEDHO C#CCNC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491202242 397500942 /nfs/dbraw/zinc/50/09/42/397500942.db2.gz NAAFPIGMGQLLFH-HZPDHXFCSA-N 1 3 306.454 0.084 20 30 DCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000610145530 397805172 /nfs/dbraw/zinc/80/51/72/397805172.db2.gz MSXFLLMCEVQIHS-UHFFFAOYSA-N 1 3 324.473 0.109 20 30 DCEDHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424147850 416618471 /nfs/dbraw/zinc/61/84/71/416618471.db2.gz SLWCEFTWBZZIKG-CABCVRRESA-N 1 3 310.442 0.967 20 30 DCEDHO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562678748 416870875 /nfs/dbraw/zinc/87/08/75/416870875.db2.gz WJRJOTVWKBEJMW-CABCVRRESA-N 1 3 312.458 0.855 20 30 DCEDHO CC(C)[NH+]1CCC(O)(CNC(=O)NC2CCN(C)CC2)CC1 ZINC000329943254 336097895 /nfs/dbraw/zinc/09/78/95/336097895.db2.gz WCXDVTONJIUNDM-UHFFFAOYSA-N 1 3 312.458 0.820 20 30 DCEDHO CN1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330215203 336125277 /nfs/dbraw/zinc/12/52/77/336125277.db2.gz GWEUUQXYKYYHGB-HZPDHXFCSA-N 1 3 324.469 0.916 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471642222 339350238 /nfs/dbraw/zinc/35/02/38/339350238.db2.gz AUNJQPIJRIVEEI-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001567711587 1160461032 /nfs/dbraw/zinc/46/10/32/1160461032.db2.gz CKGBBLOGRCDBFU-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001567711587 1160461035 /nfs/dbraw/zinc/46/10/35/1160461035.db2.gz CKGBBLOGRCDBFU-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001570153017 1161451194 /nfs/dbraw/zinc/45/11/94/1161451194.db2.gz CFZUPPHRIDEGEU-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C[NH+]=C(NCc1cccc(C(=O)NCCN(C)C)c1)NC1CC1 ZINC000264093714 526384167 /nfs/dbraw/zinc/38/41/67/526384167.db2.gz XFBOCPXCZVIYFG-UHFFFAOYSA-N 1 3 317.437 0.805 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264055104 529100440 /nfs/dbraw/zinc/10/04/40/529100440.db2.gz ALGYFMOZIYZBAK-AWEZNQCLSA-N 1 3 303.410 0.674 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000669464936 546974599 /nfs/dbraw/zinc/97/45/99/546974599.db2.gz LWGSNLKMVXEJPJ-DZGCQCFKSA-N 1 3 310.442 0.785 20 30 DCEDHO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001028093518 661152962 /nfs/dbraw/zinc/15/29/62/661152962.db2.gz MRKGKZFVFUGWGC-CVEARBPZSA-N 1 3 307.438 0.700 20 30 DCEDHO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001028093518 661152964 /nfs/dbraw/zinc/15/29/64/661152964.db2.gz 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C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@H]2O)CC1 ZINC001090831946 766649473 /nfs/dbraw/zinc/64/94/73/766649473.db2.gz XNEVZTIKSPOTCD-DLBZAZTESA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2cccnc2C)CC1 ZINC001152334409 769529663 /nfs/dbraw/zinc/52/96/63/769529663.db2.gz DZKOOMPQXRJTIU-UHFFFAOYSA-N 1 3 314.433 0.941 20 30 DCEDHO CC#CCN(CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743025 770606219 /nfs/dbraw/zinc/60/62/19/770606219.db2.gz BPRODEYATSZPFC-OAHLLOKOSA-N 1 3 319.453 0.908 20 30 DCEDHO C=CCN1CC[C@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265382 771895242 /nfs/dbraw/zinc/89/52/42/771895242.db2.gz READQNWIZVKTEH-CABCVRRESA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932576 771980080 /nfs/dbraw/zinc/98/00/80/771980080.db2.gz SDCURAIPOSVJRR-JSGCOSHPSA-N 1 3 310.442 0.113 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC12CCOCC2 ZINC001186505044 772048935 /nfs/dbraw/zinc/04/89/35/772048935.db2.gz 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0.806 20 30 DCEDHO COCC#CCN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267569269 939504095 /nfs/dbraw/zinc/50/40/95/939504095.db2.gz RVBLNTGASSZXBQ-SJORKVTESA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481099418 939560128 /nfs/dbraw/zinc/56/01/28/939560128.db2.gz FCWHSGRCQFLIBM-MRXNPFEDSA-N 1 3 319.449 0.703 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@H](C)OC)CC1 ZINC001267832172 939691884 /nfs/dbraw/zinc/69/18/84/939691884.db2.gz YFXIYVGAIHHIRA-HOCLYGCPSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@@H]3CCCN(C)C3)C2)C1=O ZINC001273143255 945316831 /nfs/dbraw/zinc/31/68/31/945316831.db2.gz DQJWUHYQAIFVMP-CRAIPNDOSA-N 1 3 317.433 0.803 20 30 DCEDHO C#CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCCN(C)C3)C2)C1=O ZINC001273143255 945316839 /nfs/dbraw/zinc/31/68/39/945316839.db2.gz DQJWUHYQAIFVMP-CRAIPNDOSA-N 1 3 317.433 0.803 20 30 DCEDHO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001268803360 940366347 /nfs/dbraw/zinc/36/63/47/940366347.db2.gz ZXOMVDXIVVPRQC-AWEZNQCLSA-N 1 3 310.442 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001269514702 940722728 /nfs/dbraw/zinc/72/27/28/940722728.db2.gz AJFGMVAOLHTNRZ-LSDHHAIUSA-N 1 3 322.453 0.080 20 30 DCEDHO C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270165807 940847938 /nfs/dbraw/zinc/84/79/38/940847938.db2.gz QNKOGLVCLFCUHT-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001270165807 940847943 /nfs/dbraw/zinc/84/79/43/940847943.db2.gz QNKOGLVCLFCUHT-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001270263883 940867522 /nfs/dbraw/zinc/86/75/22/940867522.db2.gz ZXDHROAOTIENHC-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001270847153 941010250 /nfs/dbraw/zinc/01/02/50/941010250.db2.gz LFLBKAFDPRGHDT-QGZVFWFLSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001483608675 942461193 /nfs/dbraw/zinc/46/11/93/942461193.db2.gz UPXPEBPUWFPZGX-YOEHRIQHSA-N 1 3 321.465 0.851 20 30 DCEDHO C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001484923449 943626459 /nfs/dbraw/zinc/62/64/59/943626459.db2.gz QJLNNFKQXAZNTN-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001485752008 944120283 /nfs/dbraw/zinc/12/02/83/944120283.db2.gz SJTYJOAKYFLACT-UONOGXRCSA-N 1 3 322.453 0.080 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001317128427 944814310 /nfs/dbraw/zinc/81/43/10/944814310.db2.gz OOHQCVRYHSHFND-QLFBSQMISA-N 1 3 322.453 0.350 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535574 945033696 /nfs/dbraw/zinc/03/36/96/945033696.db2.gz JJSPUWHMTABQBB-QGZVFWFLSA-N 1 3 321.465 0.950 20 30 DCEDHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001318529386 945393606 /nfs/dbraw/zinc/39/36/06/945393606.db2.gz KZAWOHZRUOAUFU-CVEARBPZSA-N 1 3 309.454 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001319285611 945541159 /nfs/dbraw/zinc/54/11/59/945541159.db2.gz NHKBOPRYRKEVSD-JKSUJKDBSA-N 1 3 321.465 0.710 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CC)CCOCC2)CC1 ZINC001278733691 946147209 /nfs/dbraw/zinc/14/72/09/946147209.db2.gz LAKRTYHRLAALOP-UHFFFAOYSA-N 1 3 307.438 0.607 20 30 DCEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261492725 947318027 /nfs/dbraw/zinc/31/80/27/947318027.db2.gz ROBPFVTXZOUHSD-ZDUSSCGKSA-N 1 3 308.426 0.852 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001325125048 947734160 /nfs/dbraw/zinc/73/41/60/947734160.db2.gz AAFMRGYOMNGDQT-KRWDZBQOSA-N 1 3 309.454 0.541 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001325125048 947734170 /nfs/dbraw/zinc/73/41/70/947734170.db2.gz AAFMRGYOMNGDQT-KRWDZBQOSA-N 1 3 309.454 0.541 20 30 DCEDHO C[NH+]1CCC(OCC(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC001263331437 947832542 /nfs/dbraw/zinc/83/25/42/947832542.db2.gz PEPRNYLXZCOTMB-ZDUSSCGKSA-N 1 3 316.361 0.840 20 30 DCEDHO C#CCCN1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001325866108 947959781 /nfs/dbraw/zinc/95/97/81/947959781.db2.gz UDRUOMYJIDHNMT-SFHVURJKSA-N 1 3 321.465 0.829 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987937 948353938 /nfs/dbraw/zinc/35/39/38/948353938.db2.gz HIKULWDZCQCWFD-DLBZAZTESA-N 1 3 319.449 0.844 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987937 948353944 /nfs/dbraw/zinc/35/39/44/948353944.db2.gz HIKULWDZCQCWFD-DLBZAZTESA-N 1 3 319.449 0.844 20 30 DCEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001328218001 948751958 /nfs/dbraw/zinc/75/19/58/948751958.db2.gz SFEQWEIXXDYPEM-HNNXBMFYSA-N 1 3 307.438 0.437 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488916420 949337294 /nfs/dbraw/zinc/33/72/94/949337294.db2.gz UWPHJKSZQJRCTQ-JKSUJKDBSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H](CC)N(C)C)C2)C1=O ZINC001265484953 949720480 /nfs/dbraw/zinc/72/04/80/949720480.db2.gz SSKOFGMPWNVABA-ZQDZILKHSA-N 1 3 322.453 0.350 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331156327 950972807 /nfs/dbraw/zinc/97/28/07/950972807.db2.gz VSHPQPRMRPJCKV-TZMCWYRMSA-N 1 3 308.426 0.139 20 30 DCEDHO C=CCN1CC[C@@]2(CCN(C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656836 951767798 /nfs/dbraw/zinc/76/77/98/951767798.db2.gz RXIRKXZMHYXSOA-NVXWUHKLSA-N 1 3 309.454 0.800 20 30 DCEDHO C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001276159059 952954102 /nfs/dbraw/zinc/95/41/02/952954102.db2.gz SHNOYOBELSVVJX-MRXNPFEDSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001490852480 953124112 /nfs/dbraw/zinc/12/41/12/953124112.db2.gz ISTAGNQDPHJXNR-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCCC[C@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342564066 953295705 /nfs/dbraw/zinc/29/57/05/953295705.db2.gz FBBWXHWMOXLMPT-LRDDRELGSA-N 1 3 303.410 0.667 20 30 DCEDHO C=CCN[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001283802669 954618693 /nfs/dbraw/zinc/61/86/93/954618693.db2.gz BLLVPYMMZMGUAT-ZACQAIPSSA-N 1 3 317.433 0.585 20 30 DCEDHO C=CCN[C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001283802669 954618696 /nfs/dbraw/zinc/61/86/96/954618696.db2.gz BLLVPYMMZMGUAT-ZACQAIPSSA-N 1 3 317.433 0.585 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001352849772 955794450 /nfs/dbraw/zinc/79/44/50/955794450.db2.gz MHGLVGXKEBYKSX-AXFHLTTASA-N 1 3 306.332 0.993 20 30 DCEDHO CC(=O)c1cccc(OC[C@@H](O)CNCC#CC[NH+](C)C)c1 ZINC001356596782 956904001 /nfs/dbraw/zinc/90/40/01/956904001.db2.gz QVDABURMQMRLFA-INIZCTEOSA-N 1 3 304.390 0.784 20 30 DCEDHO CC#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001312994455 960290193 /nfs/dbraw/zinc/29/01/93/960290193.db2.gz KLVJEESLIRBOEK-GJZGRUSLSA-N 1 3 312.458 0.332 20 30 DCEDHO CC#CC[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001312994455 960290198 /nfs/dbraw/zinc/29/01/98/960290198.db2.gz KLVJEESLIRBOEK-GJZGRUSLSA-N 1 3 312.458 0.332 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001502720942 1016039917 /nfs/dbraw/zinc/03/99/17/1016039917.db2.gz KMISCQDHHDWVSS-ZFWWWQNUSA-N 1 3 322.453 0.209 20 30 DCEDHO C[C@@H]1CN(C(=O)NCC#CCN(C)C)CCN1c1cc[nH+]cc1 ZINC001471629492 1016609054 /nfs/dbraw/zinc/60/90/54/1016609054.db2.gz HFTIERRXVIZOEB-OAHLLOKOSA-N 1 3 315.421 0.867 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501243221 1018984046 /nfs/dbraw/zinc/98/40/46/1018984046.db2.gz WTLPAULNTDWOLX-IYBDPMFKSA-N 1 3 309.454 0.919 20 30 DCEDHO C=CCOCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001501243221 1018984063 /nfs/dbraw/zinc/98/40/63/1018984063.db2.gz WTLPAULNTDWOLX-IYBDPMFKSA-N 1 3 309.454 0.919 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001496136049 1019102750 /nfs/dbraw/zinc/10/27/50/1019102750.db2.gz CWKJNPFLQFPVPA-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO CN1CC[NH+]=C1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262667834 529779093 /nfs/dbraw/zinc/77/90/93/529779093.db2.gz POYQBPCUHAMCMF-UHFFFAOYSA-N 1 3 301.438 0.825 20 30 DCEDHO COC[C@@H](C)NC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270546640 238276389 /nfs/dbraw/zinc/27/63/89/238276389.db2.gz FANCBBQXJOJIHS-GFCCVEGCSA-N 1 3 309.414 0.461 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000491070822 533147840 /nfs/dbraw/zinc/14/78/40/533147840.db2.gz FYRLCNAOJVGTHR-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CC[N@H+](C)CCCNC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276958 416122464 /nfs/dbraw/zinc/12/24/64/416122464.db2.gz OUTFUOJCXIIXCC-INIZCTEOSA-N 1 3 324.446 0.668 20 30 DCEDHO C#CC[N@@H+](C)CCCNC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276958 416122467 /nfs/dbraw/zinc/12/24/67/416122467.db2.gz OUTFUOJCXIIXCC-INIZCTEOSA-N 1 3 324.446 0.668 20 30 DCEDHO O[C@@H]1CC[C@@H]2C[N@@H+](CC#CCN3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251089 /nfs/dbraw/zinc/25/10/89/416251089.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 1 3 304.434 0.395 20 30 DCEDHO O[C@@H]1CC[C@@H]2C[N@H+](CC#CCN3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251092 /nfs/dbraw/zinc/25/10/92/416251092.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 1 3 304.434 0.395 20 30 DCEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251094 /nfs/dbraw/zinc/25/10/94/416251094.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 1 3 304.434 0.395 20 30 DCEDHO O[C@@H]1CC[C@@H]2CN(CC#CC[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251098 /nfs/dbraw/zinc/25/10/98/416251098.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 1 3 304.434 0.395 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419722063 416405892 /nfs/dbraw/zinc/40/58/92/416405892.db2.gz DCHHIKABMVZTKQ-CQSZACIVSA-N 1 3 310.442 0.243 20 30 DCEDHO C=CC[C@@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000662815438 417914315 /nfs/dbraw/zinc/91/43/15/417914315.db2.gz UFLPGNYBDMYDRR-HOCLYGCPSA-N 1 3 318.425 0.599 20 30 DCEDHO C=CCN1CCC(NC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662449072 418410729 /nfs/dbraw/zinc/41/07/29/418410729.db2.gz UOXUDSZXQDVQMJ-UHFFFAOYSA-N 1 3 318.425 0.583 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264094672 529071791 /nfs/dbraw/zinc/07/17/91/529071791.db2.gz LPIQHZLDCHNFMA-OAHLLOKOSA-N 1 3 317.437 0.805 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001673119780 1175174503 /nfs/dbraw/zinc/17/45/03/1175174503.db2.gz JMIHXUNHDSHNEL-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022122205 658878900 /nfs/dbraw/zinc/87/89/00/658878900.db2.gz RAIVTHTYOWBEEX-RQJABVFESA-N 1 3 313.829 0.839 20 30 DCEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022122205 658878907 /nfs/dbraw/zinc/87/89/07/658878907.db2.gz RAIVTHTYOWBEEX-RQJABVFESA-N 1 3 313.829 0.839 20 30 DCEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999767476 665681507 /nfs/dbraw/zinc/68/15/07/665681507.db2.gz YBRZQEAKTBHUBQ-GYMHETDLSA-N 1 3 303.406 0.063 20 30 DCEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498916 659628946 /nfs/dbraw/zinc/62/89/46/659628946.db2.gz QIMYGYNQSWIXFF-NDUQDZPOSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498916 659628950 /nfs/dbraw/zinc/62/89/50/659628950.db2.gz QIMYGYNQSWIXFF-NDUQDZPOSA-N 1 3 319.449 0.958 20 30 DCEDHO CNC(NCc1cccc(OCCN(C)CCOC)c1)=[NH+]C ZINC000303411341 662451284 /nfs/dbraw/zinc/45/12/84/662451284.db2.gz WZAYCAHYHOVGHY-UHFFFAOYSA-N 1 3 308.426 0.938 20 30 DCEDHO CC1(C)C[NH2+]CC[C@@H](NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358485 663410628 /nfs/dbraw/zinc/41/06/28/663410628.db2.gz CSIOIGUDSQABJV-DKASORFFSA-N 1 3 306.410 0.881 20 30 DCEDHO C=CCNC(=O)CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878032 663491852 /nfs/dbraw/zinc/49/18/52/663491852.db2.gz DOZUFWXPMPAHDO-MQVJKMGUSA-N 1 3 306.454 0.437 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCO)CC3)CC1 ZINC000992513160 664730509 /nfs/dbraw/zinc/73/05/09/664730509.db2.gz VPXBUQMQMBUEKV-SJLPKXTDSA-N 1 3 319.449 0.437 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513160 664730510 /nfs/dbraw/zinc/73/05/10/664730510.db2.gz VPXBUQMQMBUEKV-SJLPKXTDSA-N 1 3 319.449 0.437 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001032207471 666452511 /nfs/dbraw/zinc/45/25/11/666452511.db2.gz RYZGMEYSRGUMJW-CQSZACIVSA-N 1 3 307.438 0.415 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187054385 667456331 /nfs/dbraw/zinc/45/63/31/667456331.db2.gz FEIHSFASYUJUDU-CYBMUJFWSA-N 1 3 318.487 0.590 20 30 DCEDHO C[C@@H]1C[C@H](C)N(C(=O)C2CC3(C2)CNC[C@@H]3C#N)C[C@H]1C[NH3+] ZINC000884348062 667529096 /nfs/dbraw/zinc/52/90/96/667529096.db2.gz MUCOGTKTYFQQGN-CVZHDLGWSA-N 1 3 304.438 0.958 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069313 670053645 /nfs/dbraw/zinc/05/36/45/670053645.db2.gz FTVCLKOVECHDJY-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069313 670053647 /nfs/dbraw/zinc/05/36/47/670053647.db2.gz FTVCLKOVECHDJY-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303772286 685206480 /nfs/dbraw/zinc/20/64/80/685206480.db2.gz DLSFWKLWPZOASH-CQSZACIVSA-N 1 3 311.474 0.486 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304761832 685212331 /nfs/dbraw/zinc/21/23/31/685212331.db2.gz UYSGLZSNGIUSKL-CABCVRRESA-N 1 3 312.458 0.818 20 30 DCEDHO C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC000958118002 687358462 /nfs/dbraw/zinc/35/84/62/687358462.db2.gz YAFJZWYHZMURFE-KBPBESRZSA-N 1 3 321.446 0.465 20 30 DCEDHO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2sccc2CN(C)C)C1 ZINC000958118002 687358468 /nfs/dbraw/zinc/35/84/68/687358468.db2.gz YAFJZWYHZMURFE-KBPBESRZSA-N 1 3 321.446 0.465 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC000958724795 687878516 /nfs/dbraw/zinc/87/85/16/687878516.db2.gz STJVNLSQPMSUOF-DLBZAZTESA-N 1 3 319.449 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC000958724795 687878520 /nfs/dbraw/zinc/87/85/20/687878520.db2.gz STJVNLSQPMSUOF-DLBZAZTESA-N 1 3 319.449 0.151 20 30 DCEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962018942 688790414 /nfs/dbraw/zinc/79/04/14/688790414.db2.gz SFYMJSUOBHTHEE-FICVDOATSA-N 1 3 303.410 0.291 20 30 DCEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322178 692263767 /nfs/dbraw/zinc/26/37/67/692263767.db2.gz ASEIBMLGLCKLMY-GYMHETDLSA-N 1 3 305.422 0.616 20 30 DCEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322178 692263772 /nfs/dbraw/zinc/26/37/72/692263772.db2.gz ASEIBMLGLCKLMY-GYMHETDLSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016627077 692734967 /nfs/dbraw/zinc/73/49/67/692734967.db2.gz IYUQZXCUKPOTBF-HZPDHXFCSA-N 1 3 301.434 0.932 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001570957054 1162654796 /nfs/dbraw/zinc/65/47/96/1162654796.db2.gz FBOFKEPNMVCZGM-PHZGNYQRSA-N 1 3 317.433 0.026 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)CC)CC1 ZINC001571448337 1162763247 /nfs/dbraw/zinc/76/32/47/1162763247.db2.gz SSYJKGCYZZMCGJ-GDBMZVCRSA-N 1 3 309.454 0.444 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100905001 1158240210 /nfs/dbraw/zinc/24/02/10/1158240210.db2.gz RCGQKCWULKTYFF-NFOMZHRRSA-N 1 3 324.469 0.503 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1OCC ZINC001565949226 1159928979 /nfs/dbraw/zinc/92/89/79/1159928979.db2.gz ZPAPWFXMACSNNS-HUUCEWRRSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001566896126 1160178965 /nfs/dbraw/zinc/17/89/65/1160178965.db2.gz WQCNGJQYIYRPMQ-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001566905289 1160181525 /nfs/dbraw/zinc/18/15/25/1160181525.db2.gz OVYCKPTZFOJESN-DLBZAZTESA-N 1 3 321.465 0.806 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001646799700 1172539469 /nfs/dbraw/zinc/53/94/69/1172539469.db2.gz WVHUQRWUITWLRF-RYUDHWBXSA-N 1 3 301.818 0.813 20 30 DCEDHO C#CCC[NH2+][C@@H](CNC(=O)C1CCN(CC#C)CC1)C1CC1 ZINC001661192652 1174105337 /nfs/dbraw/zinc/10/53/37/1174105337.db2.gz HPESQUUBLICTAB-KRWDZBQOSA-N 1 3 301.434 0.839 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCOC)CC1 ZINC001667769733 1174709803 /nfs/dbraw/zinc/70/98/03/1174709803.db2.gz IJRKLQZFQBNEKB-IAGOWNOFSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CCC(=C)C)CC1 ZINC001667939092 1174736337 /nfs/dbraw/zinc/73/63/37/1174736337.db2.gz CPMXOJKAIJJNHR-MRXNPFEDSA-N 1 3 307.438 0.365 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](F)CC)CC1 ZINC001667939508 1174736743 /nfs/dbraw/zinc/73/67/43/1174736743.db2.gz LXWZVFQAGSXTJR-LSDHHAIUSA-N 1 3 313.417 0.146 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001669020474 1174877773 /nfs/dbraw/zinc/87/77/73/1174877773.db2.gz CGGKZWBSQDXEDS-GEXIGZQTSA-N 1 3 322.453 0.281 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001699011922 1177769085 /nfs/dbraw/zinc/76/90/85/1177769085.db2.gz ATZMVRZHPUKUKQ-HOTGVXAUSA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CCN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699013812 1177771760 /nfs/dbraw/zinc/77/17/60/1177771760.db2.gz AMWQWMAZRAIJJO-JKSUJKDBSA-N 1 3 307.438 0.511 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699260883 1178000495 /nfs/dbraw/zinc/00/04/95/1178000495.db2.gz MCHSMYBMRIWFBT-DWMWFBOSSA-N 1 3 322.453 0.279 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699260883 1178000504 /nfs/dbraw/zinc/00/05/04/1178000504.db2.gz MCHSMYBMRIWFBT-DWMWFBOSSA-N 1 3 322.453 0.279 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699422972 1178130979 /nfs/dbraw/zinc/13/09/79/1178130979.db2.gz GMXVRUBSOXEIAH-ZDUSSCGKSA-N 1 3 310.442 0.115 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001699590855 1178208412 /nfs/dbraw/zinc/20/84/12/1178208412.db2.gz WWLSHNXODIWGRX-GOEBONIOSA-N 1 3 307.438 0.462 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001700077890 1178470855 /nfs/dbraw/zinc/47/08/55/1178470855.db2.gz KMHGWMDUNAFGOO-CQSZACIVSA-N 1 3 304.394 0.430 20 30 DCEDHO C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001700308734 1178575002 /nfs/dbraw/zinc/57/50/02/1178575002.db2.gz VSYBFWCEVQISPI-MRXNPFEDSA-N 1 3 321.465 0.827 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700843126 1178775539 /nfs/dbraw/zinc/77/55/39/1178775539.db2.gz SWEVRRARRVRFIQ-DZGCQCFKSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001707088212 1180415456 /nfs/dbraw/zinc/41/54/56/1180415456.db2.gz BXAFBMMHTVTUFJ-KKUMJFAQSA-N 1 3 322.453 0.115 20 30 DCEDHO C=CCN(CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707213476 1180438187 /nfs/dbraw/zinc/43/81/87/1180438187.db2.gz PUAXWOPCPBRHQY-HOTGVXAUSA-N 1 3 309.454 0.800 20 30 DCEDHO C=CCN(CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707213476 1180438192 /nfs/dbraw/zinc/43/81/92/1180438192.db2.gz PUAXWOPCPBRHQY-HOTGVXAUSA-N 1 3 309.454 0.800 20 30 DCEDHO C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001713597848 1180954834 /nfs/dbraw/zinc/95/48/34/1180954834.db2.gz IEIXNTRLTLSNLN-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001713597848 1180954839 /nfs/dbraw/zinc/95/48/39/1180954839.db2.gz IEIXNTRLTLSNLN-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCO)CCCC2)CC1 ZINC001715309055 1181768394 /nfs/dbraw/zinc/76/83/94/1181768394.db2.gz DTAOVSARYKPDGR-UHFFFAOYSA-N 1 3 307.438 0.343 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716414855 1182381553 /nfs/dbraw/zinc/38/15/53/1182381553.db2.gz VTLSVCQQTCYGAQ-ZIAGYGMSSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001716975337 1182607866 /nfs/dbraw/zinc/60/78/66/1182607866.db2.gz LQYJDAIABVSJCY-LSDHHAIUSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]C[C@H](C)OC)C2)CC1 ZINC001717394243 1182818617 /nfs/dbraw/zinc/81/86/17/1182818617.db2.gz DCSDJAXXIKHIPQ-UQPPLGOBSA-N 1 3 321.465 0.851 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001717415747 1182826698 /nfs/dbraw/zinc/82/66/98/1182826698.db2.gz LIFDFXULJQYJOO-KBPBESRZSA-N 1 3 322.453 0.400 20 30 DCEDHO COCC#CCN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717821047 1183016962 /nfs/dbraw/zinc/01/69/62/1183016962.db2.gz ABRDJXPKNWZLPD-HOCLYGCPSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001724827067 1184580034 /nfs/dbraw/zinc/58/00/34/1184580034.db2.gz PVGCVTSGYCASBQ-KRWDZBQOSA-N 1 3 315.417 0.812 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001725745069 1184980533 /nfs/dbraw/zinc/98/05/33/1184980533.db2.gz KLUPXFPGAJUTQL-KGLIPLIRSA-N 1 3 324.469 0.197 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001731523573 1185374164 /nfs/dbraw/zinc/37/41/64/1185374164.db2.gz RELRHDCVEUKGOV-CQSZACIVSA-N 1 3 304.394 0.430 20 30 DCEDHO C=CCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973621 1185619381 /nfs/dbraw/zinc/61/93/81/1185619381.db2.gz GYRTVJGOGURLEO-LSDHHAIUSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001732667056 1185907604 /nfs/dbraw/zinc/90/76/04/1185907604.db2.gz NUWZWFNYNRWYAT-HZPDHXFCSA-N 1 3 309.454 0.587 20 30 DCEDHO 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DCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465778 749925035 /nfs/dbraw/zinc/92/50/35/749925035.db2.gz RQQDLOKCLYNMST-OAGGEKHMSA-N 1 3 307.438 0.456 20 30 DCEDHO O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001122536231 751089937 /nfs/dbraw/zinc/08/99/37/751089937.db2.gz VTCKULMTHRIHFD-JKSUJKDBSA-N 1 3 305.422 0.047 20 30 DCEDHO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037597 753440342 /nfs/dbraw/zinc/44/03/42/753440342.db2.gz UFYJFJBZUKLENV-SJORKVTESA-N 1 3 322.497 0.977 20 30 DCEDHO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037597 753440346 /nfs/dbraw/zinc/44/03/46/753440346.db2.gz UFYJFJBZUKLENV-SJORKVTESA-N 1 3 322.497 0.977 20 30 DCEDHO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062993 753456955 /nfs/dbraw/zinc/45/69/55/753456955.db2.gz KEQVIEOQIREKHB-CVEARBPZSA-N 1 3 308.470 0.731 20 30 DCEDHO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062993 753456956 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0.147 20 30 DCEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001082329697 757037961 /nfs/dbraw/zinc/03/79/61/757037961.db2.gz GBTTWXAKISNDEV-GDBMZVCRSA-N 1 3 316.405 0.600 20 30 DCEDHO C#CCC[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](OC)C1 ZINC001082329697 757037964 /nfs/dbraw/zinc/03/79/64/757037964.db2.gz GBTTWXAKISNDEV-GDBMZVCRSA-N 1 3 316.405 0.600 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@H]2OC)CC1 ZINC001082383289 757089047 /nfs/dbraw/zinc/08/90/47/757089047.db2.gz PXICYKSNGDJFCB-IAGOWNOFSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@H]2OC)CC1 ZINC001082383289 757089056 /nfs/dbraw/zinc/08/90/56/757089056.db2.gz PXICYKSNGDJFCB-IAGOWNOFSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC001084087816 757667487 /nfs/dbraw/zinc/66/74/87/757667487.db2.gz AVEWTKVILUUUJS-CVEARBPZSA-N 1 3 305.422 0.069 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC001084087816 757667491 /nfs/dbraw/zinc/66/74/91/757667491.db2.gz AVEWTKVILUUUJS-CVEARBPZSA-N 1 3 305.422 0.069 20 30 DCEDHO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098392798 759249949 /nfs/dbraw/zinc/24/99/49/759249949.db2.gz YZTJTRQZQZGFQZ-MRXNPFEDSA-N 1 3 307.438 0.245 20 30 DCEDHO C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098392798 759249954 /nfs/dbraw/zinc/24/99/54/759249954.db2.gz YZTJTRQZQZGFQZ-MRXNPFEDSA-N 1 3 307.438 0.245 20 30 DCEDHO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001098399150 759571100 /nfs/dbraw/zinc/57/11/00/759571100.db2.gz ACRVNAWFDQMFQR-KRWDZBQOSA-N 1 3 323.481 0.881 20 30 DCEDHO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001098399150 759571108 /nfs/dbraw/zinc/57/11/08/759571108.db2.gz ACRVNAWFDQMFQR-KRWDZBQOSA-N 1 3 323.481 0.881 20 30 DCEDHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086151226 759768014 /nfs/dbraw/zinc/76/80/14/759768014.db2.gz RXLOYOHLIOZGJA-CLEAANHHSA-N 1 3 319.449 0.910 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310307 761167979 /nfs/dbraw/zinc/16/79/79/761167979.db2.gz UWMWJQZKBBSUHV-ZNMIVQPWSA-N 1 3 318.425 0.147 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310307 761167981 /nfs/dbraw/zinc/16/79/81/761167981.db2.gz UWMWJQZKBBSUHV-ZNMIVQPWSA-N 1 3 318.425 0.147 20 30 DCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101663 762857786 /nfs/dbraw/zinc/85/77/86/762857786.db2.gz ZCNHDRVUUVSJBS-WCVJEAGWSA-N 1 3 307.438 0.862 20 30 DCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101663 762857777 /nfs/dbraw/zinc/85/77/77/762857777.db2.gz ZCNHDRVUUVSJBS-WCVJEAGWSA-N 1 3 307.438 0.862 20 30 DCEDHO C#CCCN1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938226 763143793 /nfs/dbraw/zinc/14/37/93/763143793.db2.gz SKAIAVKHHJBFMH-JKSUJKDBSA-N 1 3 321.465 0.826 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708640 763455376 /nfs/dbraw/zinc/45/53/76/763455376.db2.gz BUFJEQYTABEYAJ-LSDHHAIUSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708640 763455379 /nfs/dbraw/zinc/45/53/79/763455379.db2.gz BUFJEQYTABEYAJ-LSDHHAIUSA-N 1 3 324.469 0.503 20 30 DCEDHO COCC#CC[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676904 763716893 /nfs/dbraw/zinc/71/68/93/763716893.db2.gz URXOLCNWOOBGSO-FHERZECASA-N 1 3 307.438 0.605 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845281 764063789 /nfs/dbraw/zinc/06/37/89/764063789.db2.gz VRSUVLFHKCFSOI-CQSZACIVSA-N 1 3 322.453 0.095 20 30 DCEDHO COCC#CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366606 764614782 /nfs/dbraw/zinc/61/47/82/764614782.db2.gz KZUUVLIAZYLKTN-IXDOHACOSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366606 764614787 /nfs/dbraw/zinc/61/47/87/764614787.db2.gz KZUUVLIAZYLKTN-IXDOHACOSA-N 1 3 321.465 0.805 20 30 DCEDHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C)N(C)C ZINC001102378100 764619700 /nfs/dbraw/zinc/61/97/00/764619700.db2.gz ODMAFZHJPIDEEF-OAGGEKHMSA-N 1 3 309.454 0.661 20 30 DCEDHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)N(C)C ZINC001102378100 764619709 /nfs/dbraw/zinc/61/97/09/764619709.db2.gz ODMAFZHJPIDEEF-OAGGEKHMSA-N 1 3 309.454 0.661 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893322 764713329 /nfs/dbraw/zinc/71/33/29/764713329.db2.gz NKPTWZLGYZUYDW-MJBXVCDLSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893322 764713333 /nfs/dbraw/zinc/71/33/33/764713333.db2.gz NKPTWZLGYZUYDW-MJBXVCDLSA-N 1 3 310.442 0.113 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584760 765581122 /nfs/dbraw/zinc/58/11/22/765581122.db2.gz WTTKWPLHQVAPIJ-KBPBESRZSA-N 1 3 322.453 0.093 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134606774 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DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215535971 774081879 /nfs/dbraw/zinc/08/18/79/774081879.db2.gz BDQWSTRYOPDQAS-BZUAXINKSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201403604 774501602 /nfs/dbraw/zinc/50/16/02/774501602.db2.gz NCZJIDUVDJUANQ-HOTGVXAUSA-N 1 3 307.438 0.701 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862441 774559701 /nfs/dbraw/zinc/55/97/01/774559701.db2.gz AVUNLLVTKYDCCU-CVEARBPZSA-N 1 3 307.438 0.559 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201862441 774559704 /nfs/dbraw/zinc/55/97/04/774559704.db2.gz AVUNLLVTKYDCCU-CVEARBPZSA-N 1 3 307.438 0.559 20 30 DCEDHO N#Cc1cnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)s1 ZINC001220872346 774941228 /nfs/dbraw/zinc/94/12/28/774941228.db2.gz VCUBXJASVSVOOB-NSHDSACASA-N 1 3 305.407 0.505 20 30 DCEDHO N#Cc1cnc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)s1 ZINC001220872346 774941232 /nfs/dbraw/zinc/94/12/32/774941232.db2.gz VCUBXJASVSVOOB-NSHDSACASA-N 1 3 305.407 0.505 20 30 DCEDHO CN(C)CC#CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001228030574 776038885 /nfs/dbraw/zinc/03/88/85/776038885.db2.gz AQIMOAYOLCUXPF-INIZCTEOSA-N 1 3 322.453 0.494 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317655276 945147821 /nfs/dbraw/zinc/14/78/21/945147821.db2.gz PAEAVNQSQSRHAB-ZIAGYGMSSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317655276 945147826 /nfs/dbraw/zinc/14/78/26/945147826.db2.gz PAEAVNQSQSRHAB-ZIAGYGMSSA-N 1 3 310.442 0.067 20 30 DCEDHO C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001484849847 943595515 /nfs/dbraw/zinc/59/55/15/943595515.db2.gz ZTGZTWSULDZAQR-DOTOQJQBSA-N 1 3 309.454 0.847 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001485752005 944120544 /nfs/dbraw/zinc/12/05/44/944120544.db2.gz SJTYJOAKYFLACT-KBPBESRZSA-N 1 3 322.453 0.080 20 30 DCEDHO C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001317265245 944885894 /nfs/dbraw/zinc/88/58/94/944885894.db2.gz NNKVIZDRMNKFQW-UONOGXRCSA-N 1 3 322.453 0.209 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001317321150 944922395 /nfs/dbraw/zinc/92/23/95/944922395.db2.gz DMYWPLAUPFGBFC-HNNXBMFYSA-N 1 3 307.438 0.559 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001280626744 947490014 /nfs/dbraw/zinc/49/00/14/947490014.db2.gz ADMCVZRPZKTHBK-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001280626744 947490026 /nfs/dbraw/zinc/49/00/26/947490026.db2.gz ADMCVZRPZKTHBK-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CCN1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273446530 947728348 /nfs/dbraw/zinc/72/83/48/947728348.db2.gz RXNURGRUOOQVAR-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001264080701 948874229 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C#CCN(C)CCOCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001331160316 950976708 /nfs/dbraw/zinc/97/67/08/950976708.db2.gz BDPKWMDKJVEIDO-HOTGVXAUSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001331160317 950976793 /nfs/dbraw/zinc/97/67/93/950976793.db2.gz BDPKWMDKJVEIDO-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001331286797 951057455 /nfs/dbraw/zinc/05/74/55/951057455.db2.gz ADBNXRARNUYRRF-MRXNPFEDSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274619858 951746338 /nfs/dbraw/zinc/74/63/38/951746338.db2.gz FEMQLDWQPXPCQE-NVXWUHKLSA-N 1 3 309.454 0.800 20 30 DCEDHO C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274619858 951746347 /nfs/dbraw/zinc/74/63/47/951746347.db2.gz FEMQLDWQPXPCQE-NVXWUHKLSA-N 1 3 309.454 0.800 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001275459284 952162331 /nfs/dbraw/zinc/16/23/31/952162331.db2.gz MPMVMNYAADKOQZ-GJZGRUSLSA-N 1 3 307.438 0.462 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729800 952411197 /nfs/dbraw/zinc/41/11/97/952411197.db2.gz PHYZFTDJMNIHEJ-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729800 952411200 /nfs/dbraw/zinc/41/12/00/952411200.db2.gz PHYZFTDJMNIHEJ-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO CC(=O)c1ccc(OC[C@H](O)CNCC#CC[NH+](C)C)cc1 ZINC001336769941 952762964 /nfs/dbraw/zinc/76/29/64/952762964.db2.gz FJPZRDGHGILHRY-MRXNPFEDSA-N 1 3 304.390 0.784 20 30 DCEDHO C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCN(CC)CC1 ZINC001340396110 953166330 /nfs/dbraw/zinc/16/63/30/953166330.db2.gz YTCSHWGMXDUCMA-LBPRGKRZSA-N 1 3 320.397 0.091 20 30 DCEDHO C=CCn1c(C2=NO[C@H](CO)C2)nnc1N1CC[NH+](CC)CC1 ZINC001340396110 953166334 /nfs/dbraw/zinc/16/63/34/953166334.db2.gz YTCSHWGMXDUCMA-LBPRGKRZSA-N 1 3 320.397 0.091 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001347853817 954174466 /nfs/dbraw/zinc/17/44/66/954174466.db2.gz PAWUDYGJJFZSQS-PMPSAXMXSA-N 1 3 321.469 0.018 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001347853817 954174471 /nfs/dbraw/zinc/17/44/71/954174471.db2.gz PAWUDYGJJFZSQS-PMPSAXMXSA-N 1 3 321.469 0.018 20 30 DCEDHO N#CC[C@]1(O)CC[N@H+](CCCCN2CC[C@](O)(CC#N)C2)C1 ZINC001349107876 954601371 /nfs/dbraw/zinc/60/13/71/954601371.db2.gz GNABEEIMNYSYEM-IYBDPMFKSA-N 1 3 306.410 0.468 20 30 DCEDHO N#CC[C@]1(O)CCN(CCCC[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001349107876 954601354 /nfs/dbraw/zinc/60/13/54/954601354.db2.gz GNABEEIMNYSYEM-IYBDPMFKSA-N 1 3 306.410 0.468 20 30 DCEDHO N#CC[C@]1(O)CCN(CCCC[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001349107876 954601357 /nfs/dbraw/zinc/60/13/57/954601357.db2.gz GNABEEIMNYSYEM-IYBDPMFKSA-N 1 3 306.410 0.468 20 30 DCEDHO N#CC[C@]1(O)CC[N@@H+](CCCCN2CC[C@](O)(CC#N)C2)C1 ZINC001349107876 954601360 /nfs/dbraw/zinc/60/13/60/954601360.db2.gz GNABEEIMNYSYEM-IYBDPMFKSA-N 1 3 306.410 0.468 20 30 DCEDHO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001502567595 1015974685 /nfs/dbraw/zinc/97/46/85/1015974685.db2.gz HPHPZCKJPGTANH-WBVHZDCISA-N 1 3 309.454 0.988 20 30 DCEDHO COCC#CCN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321069 1016249681 /nfs/dbraw/zinc/24/96/81/1016249681.db2.gz PEDDZNCHVPOROB-LSDHHAIUSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CCN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321065 1016251205 /nfs/dbraw/zinc/25/12/05/1016251205.db2.gz PEDDZNCHVPOROB-GJZGRUSLSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CCN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001507434038 1016325027 /nfs/dbraw/zinc/32/50/27/1016325027.db2.gz PCGRAIPTCIUVGE-OAGGEKHMSA-N 1 3 321.465 0.803 20 30 DCEDHO COCC#CCN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001507434038 1016325035 /nfs/dbraw/zinc/32/50/35/1016325035.db2.gz PCGRAIPTCIUVGE-OAGGEKHMSA-N 1 3 321.465 0.803 20 30 DCEDHO C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN2C)CC1 ZINC001479919008 1017969567 /nfs/dbraw/zinc/96/95/67/1017969567.db2.gz AVRKUDDJUKLPJE-MRXNPFEDSA-N 1 3 308.470 0.781 20 30 DCEDHO C=CCCN1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001479936507 1018003324 /nfs/dbraw/zinc/00/33/24/1018003324.db2.gz HIJDQFTVFRZMBV-UHFFFAOYSA-N 1 3 308.470 0.638 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480476266 1018570624 /nfs/dbraw/zinc/57/06/24/1018570624.db2.gz XGTMORCFDYUNPV-QWHCGFSZSA-N 1 3 310.442 0.256 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000069501026 396081487 /nfs/dbraw/zinc/08/14/87/396081487.db2.gz IZNOEOGYQQBTAC-INIZCTEOSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000069501026 396081491 /nfs/dbraw/zinc/08/14/91/396081491.db2.gz IZNOEOGYQQBTAC-INIZCTEOSA-N 1 3 307.438 0.559 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000125830472 415871855 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C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158433645 526382383 /nfs/dbraw/zinc/38/23/83/526382383.db2.gz HYIAPVUZMWSTGM-YPMHNXCESA-N 1 3 321.425 0.772 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269073573 529073352 /nfs/dbraw/zinc/07/33/52/529073352.db2.gz HDCNHYDXYBJUTH-LLVKDONJSA-N 1 3 309.374 0.180 20 30 DCEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248246 660506287 /nfs/dbraw/zinc/50/62/87/660506287.db2.gz KGMQPFIDJBEZHZ-VQHPVUNQSA-N 1 3 303.450 0.892 20 30 DCEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248246 660506288 /nfs/dbraw/zinc/50/62/88/660506288.db2.gz KGMQPFIDJBEZHZ-VQHPVUNQSA-N 1 3 303.450 0.892 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC000981542437 661169451 /nfs/dbraw/zinc/16/94/51/661169451.db2.gz UPJWNLZXMPDDGW-CVEARBPZSA-N 1 3 307.438 0.341 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001021089337 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C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)CC1 ZINC000997874988 665356497 /nfs/dbraw/zinc/35/64/97/665356497.db2.gz VFMFNSFKYAEQED-HNNXBMFYSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000945184232 666580397 /nfs/dbraw/zinc/58/03/97/666580397.db2.gz VVZIMNJWMDYYIP-HOCLYGCPSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000945184232 666580400 /nfs/dbraw/zinc/58/04/00/666580400.db2.gz VVZIMNJWMDYYIP-HOCLYGCPSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001005426465 666855299 /nfs/dbraw/zinc/85/52/99/666855299.db2.gz URRWXFWHTUZLRS-IAGOWNOFSA-N 1 3 319.449 0.796 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H](C)C2)CC1 ZINC000948070767 670054226 /nfs/dbraw/zinc/05/42/26/670054226.db2.gz SFFMKLLTUPOQPZ-RDJZCZTQSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H](C)C2)CC1 ZINC000948070767 670054230 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CCN1CCC[C@H]1CNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304757475 685211786 /nfs/dbraw/zinc/21/17/86/685211786.db2.gz OXUWCXMUHXNTFG-NSHDSACASA-N 1 3 309.380 0.869 20 30 DCEDHO C#CCN1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001425329 690544786 /nfs/dbraw/zinc/54/47/86/690544786.db2.gz NQDVGDCZAMZTQG-JKSUJKDBSA-N 1 3 305.422 0.311 20 30 DCEDHO C#CCN1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001425329 690544789 /nfs/dbraw/zinc/54/47/89/690544789.db2.gz NQDVGDCZAMZTQG-JKSUJKDBSA-N 1 3 305.422 0.311 20 30 DCEDHO COCC#CCN[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001571408537 1162735235 /nfs/dbraw/zinc/73/52/35/1162735235.db2.gz SXHBUAZICQHNIU-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001571461864 1162769002 /nfs/dbraw/zinc/76/90/02/1162769002.db2.gz UGIOYPPYTJWIKK-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCC[NH2+]CC1(O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700301929 1157612111 /nfs/dbraw/zinc/61/21/11/1157612111.db2.gz VTAVHRWILRCBCR-UHFFFAOYSA-N 1 3 307.438 0.437 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001752878452 1158085757 /nfs/dbraw/zinc/08/57/57/1158085757.db2.gz AQWPYHOXPMQNRD-ZIAGYGMSSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001566813799 1160159855 /nfs/dbraw/zinc/15/98/55/1160159855.db2.gz OOHQCVRYHSHFND-RBSFLKMASA-N 1 3 322.453 0.350 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001568193343 1160595058 /nfs/dbraw/zinc/59/50/58/1160595058.db2.gz AOBWAZDSEMIEAK-OAHLLOKOSA-N 1 3 311.470 0.956 20 30 DCEDHO CC#CCNCCN(CC)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001568782753 1160770184 /nfs/dbraw/zinc/77/01/84/1160770184.db2.gz HKJLNHKSXCMJDO-UHFFFAOYSA-N 1 3 305.426 0.520 20 30 DCEDHO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570291193 1161548870 /nfs/dbraw/zinc/54/88/70/1161548870.db2.gz MPNPKZFGDAIBJN-DOTOQJQBSA-N 1 3 307.438 0.295 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001570354573 1161578443 /nfs/dbraw/zinc/57/84/43/1161578443.db2.gz OGNSZQLYRIWKHC-ZFWWWQNUSA-N 1 3 322.453 0.067 20 30 DCEDHO C#CCN(C)CCCNC(=O)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001574604325 1163734740 /nfs/dbraw/zinc/73/47/40/1163734740.db2.gz LWFMETKSPJUESU-CYBMUJFWSA-N 1 3 316.409 0.630 20 30 DCEDHO COCC[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001578999195 1165183174 /nfs/dbraw/zinc/18/31/74/1165183174.db2.gz UCXUVVUVCKTKCT-MRXNPFEDSA-N 1 3 318.421 0.812 20 30 DCEDHO C=CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001665788992 1174563096 /nfs/dbraw/zinc/56/30/96/1174563096.db2.gz TYYZVWBLYLYWAC-HUUCEWRRSA-N 1 3 322.453 0.115 20 30 DCEDHO C=C(C)CN1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674319807 1175269293 /nfs/dbraw/zinc/26/92/93/1175269293.db2.gz VBXHQPHRBLJHHD-UHFFFAOYSA-N 1 3 309.454 0.847 20 30 DCEDHO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(C)C ZINC001677157120 1175538888 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C=CCCN1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001690079552 1177164380 /nfs/dbraw/zinc/16/43/80/1177164380.db2.gz KHKMCAGXMURVGV-INIZCTEOSA-N 1 3 308.470 0.638 20 30 DCEDHO COCC#CCN[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690628486 1177286459 /nfs/dbraw/zinc/28/64/59/1177286459.db2.gz OHTACZVPUHAZFF-HZPDHXFCSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001690628486 1177286467 /nfs/dbraw/zinc/28/64/67/1177286467.db2.gz OHTACZVPUHAZFF-HZPDHXFCSA-N 1 3 309.454 0.995 20 30 DCEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1OCC ZINC001692041948 1177407960 /nfs/dbraw/zinc/40/79/60/1177407960.db2.gz ASWBHRGWAXCQCU-BZUAXINKSA-N 1 3 309.454 0.967 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001698901058 1177713823 /nfs/dbraw/zinc/71/38/23/1177713823.db2.gz LNJQSWUAYFCMJJ-CVEARBPZSA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699363101 1178102219 /nfs/dbraw/zinc/10/22/19/1178102219.db2.gz KYWCXVJXXCVQBA-CQSZACIVSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001700241687 1178550348 /nfs/dbraw/zinc/55/03/48/1178550348.db2.gz IXMUKPACUFENBN-GOSISDBHSA-N 1 3 321.465 0.829 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001700633646 1178686104 /nfs/dbraw/zinc/68/61/04/1178686104.db2.gz AEHPKMBHMIKPGB-SHTZXODSSA-N 1 3 307.438 0.605 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CC[C@@H](C)F)CC1 ZINC001700808160 1178758022 /nfs/dbraw/zinc/75/80/22/1178758022.db2.gz NUSNALWFACEPIQ-UKRRQHHQSA-N 1 3 313.417 0.146 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001701029327 1178884894 /nfs/dbraw/zinc/88/48/94/1178884894.db2.gz JDFGXPIFBGHFQO-NFOMZHRRSA-N 1 3 322.453 0.352 20 30 DCEDHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1)N(C)C ZINC001707106260 1180418004 /nfs/dbraw/zinc/41/80/04/1180418004.db2.gz HFFCDZWACCGIQJ-ARFHVFGLSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)CC1 ZINC001714881676 1181583103 /nfs/dbraw/zinc/58/31/03/1181583103.db2.gz PHQCZQMMAYOXDA-MRXNPFEDSA-N 1 3 319.449 0.418 20 30 DCEDHO C#CCNC(=O)CNC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353803 1181784664 /nfs/dbraw/zinc/78/46/64/1181784664.db2.gz KDFMWVFIRVPBOP-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(CO)CC[NH+](CC)CC2)CC1 ZINC001717354275 1182798871 /nfs/dbraw/zinc/79/88/71/1182798871.db2.gz VTJYYQKHLHETRO-UHFFFAOYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]C[C@@H](C)OC)C2)CC1 ZINC001717394242 1182818909 /nfs/dbraw/zinc/81/89/09/1182818909.db2.gz DCSDJAXXIKHIPQ-HPUBIQBYSA-N 1 3 321.465 0.851 20 30 DCEDHO C#CC[NH2+]CCCOC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001725217949 1184728630 /nfs/dbraw/zinc/72/86/30/1184728630.db2.gz MVTDPCVYRAAKDE-UHFFFAOYSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)OC)C2)CC1 ZINC001725368013 1184787657 /nfs/dbraw/zinc/78/76/57/1184787657.db2.gz 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DCEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CC#CC)C2)CC1 ZINC001717394777 1182818239 /nfs/dbraw/zinc/81/82/39/1182818239.db2.gz UFJWMQMTZMNTKM-UHFFFAOYSA-N 1 3 301.434 0.839 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001717714591 1182967850 /nfs/dbraw/zinc/96/78/50/1182967850.db2.gz QBVJXUUFKZXVAF-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001717714591 1182967855 /nfs/dbraw/zinc/96/78/55/1182967855.db2.gz QBVJXUUFKZXVAF-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001717758652 1182980971 /nfs/dbraw/zinc/98/09/71/1182980971.db2.gz ZEUSLGRLOTULLZ-HIFRSBDPSA-N 1 3 322.453 0.032 20 30 DCEDHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001724602205 1184470257 /nfs/dbraw/zinc/47/02/57/1184470257.db2.gz JZYGZGFWYTYMEN-HOTGVXAUSA-N 1 3 309.454 0.662 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001724629647 1184481041 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20 30 DCEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731601836 1185407479 /nfs/dbraw/zinc/40/74/79/1185407479.db2.gz QJSWPKKGNONDIX-CQSZACIVSA-N 1 3 322.453 0.259 20 30 DCEDHO COCC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001732291971 1185759482 /nfs/dbraw/zinc/75/94/82/1185759482.db2.gz QJNPJRMLRAWBOQ-KRWDZBQOSA-N 1 3 321.465 0.949 20 30 DCEDHO CC#CCNC/C=C\CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001732846630 1186008220 /nfs/dbraw/zinc/00/82/20/1186008220.db2.gz BZGCRHNGSACQMX-SREVYHEPSA-N 1 3 303.410 0.344 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001733399601 1186256302 /nfs/dbraw/zinc/25/63/02/1186256302.db2.gz PTLGCANUKMEAQI-QGZVFWFLSA-N 1 3 320.481 0.570 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001733399601 1186256308 /nfs/dbraw/zinc/25/63/08/1186256308.db2.gz PTLGCANUKMEAQI-QGZVFWFLSA-N 1 3 320.481 0.570 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001733860367 1186478771 /nfs/dbraw/zinc/47/87/71/1186478771.db2.gz VTJOLKJZTCSOGH-KGLIPLIRSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001734354632 1186620815 /nfs/dbraw/zinc/62/08/15/1186620815.db2.gz LTIYGFYHMBZPGD-CABCVRRESA-N 1 3 322.453 0.306 20 30 DCEDHO COCC#CCNC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754243321 1188797599 /nfs/dbraw/zinc/79/75/99/1188797599.db2.gz IHWUONBNYZJTQI-HZPDHXFCSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001754243321 1188797602 /nfs/dbraw/zinc/79/76/02/1188797602.db2.gz IHWUONBNYZJTQI-HZPDHXFCSA-N 1 3 309.454 0.995 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249630 747424728 /nfs/dbraw/zinc/42/47/28/747424728.db2.gz OFHCQTPTJMTQFZ-LSDHHAIUSA-N 1 3 305.422 0.570 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+][C@H](C)COC)C2)CC1 ZINC001101024610 749954861 /nfs/dbraw/zinc/95/48/61/749954861.db2.gz AGBCHPGTZKTQDG-HPUBIQBYSA-N 1 3 321.465 0.851 20 30 DCEDHO O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001122536229 751089470 /nfs/dbraw/zinc/08/94/70/751089470.db2.gz VTCKULMTHRIHFD-HOTGVXAUSA-N 1 3 305.422 0.047 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128551659 754086433 /nfs/dbraw/zinc/08/64/33/754086433.db2.gz DMAOXBWXTRZISO-QWHCGFSZSA-N 1 3 316.421 0.063 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1=O ZINC001128782637 754278814 /nfs/dbraw/zinc/27/88/14/754278814.db2.gz ADIWEILVURAKNJ-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001128782637 754278819 /nfs/dbraw/zinc/27/88/19/754278819.db2.gz ADIWEILVURAKNJ-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001048860442 754984104 /nfs/dbraw/zinc/98/41/04/754984104.db2.gz USCDWPFYABNLHW-YESZJQIVSA-N 1 3 303.450 0.988 20 30 DCEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001048860442 754984106 /nfs/dbraw/zinc/98/41/06/754984106.db2.gz USCDWPFYABNLHW-YESZJQIVSA-N 1 3 303.450 0.988 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908592 755449569 /nfs/dbraw/zinc/44/95/69/755449569.db2.gz LUKOLLUDHKPNDU-CVEARBPZSA-N 1 3 309.454 0.844 20 30 DCEDHO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001098392248 759232268 /nfs/dbraw/zinc/23/22/68/759232268.db2.gz ODGZOAJMXUWVHJ-KRWDZBQOSA-N 1 3 321.465 0.635 20 30 DCEDHO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001098392248 759232277 /nfs/dbraw/zinc/23/22/77/759232277.db2.gz ODGZOAJMXUWVHJ-KRWDZBQOSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001086277968 759944593 /nfs/dbraw/zinc/94/45/93/759944593.db2.gz BTIGVMSVTOQYQP-FMKPAKJESA-N 1 3 307.438 0.197 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070267866 761157774 /nfs/dbraw/zinc/15/77/74/761157774.db2.gz URGUTDWYEPUJCU-CABCVRRESA-N 1 3 318.425 0.147 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCOC)CC1 ZINC001157092105 761696379 /nfs/dbraw/zinc/69/63/79/761696379.db2.gz KYHKJVKDRXSMBT-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCOC)CC1 ZINC001157092105 761696383 /nfs/dbraw/zinc/69/63/83/761696383.db2.gz KYHKJVKDRXSMBT-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910247 763040174 /nfs/dbraw/zinc/04/01/74/763040174.db2.gz KOZFAUNCIWWLHN-KFWWJZLASA-N 1 3 320.441 0.536 20 30 DCEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099879089 763094817 /nfs/dbraw/zinc/09/48/17/763094817.db2.gz FGVCYCWINSDLIP-HOTGVXAUSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099879089 763094826 /nfs/dbraw/zinc/09/48/26/763094826.db2.gz FGVCYCWINSDLIP-HOTGVXAUSA-N 1 3 309.454 0.988 20 30 DCEDHO COCC#CCN1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345034 764064336 /nfs/dbraw/zinc/06/43/36/764064336.db2.gz QJKINLIIPXTLGZ-AEFFLSMTSA-N 1 3 321.465 0.758 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819897 765150949 /nfs/dbraw/zinc/15/09/49/765150949.db2.gz QSCPNITYLONDMV-HNNXBMFYSA-N 1 3 324.469 0.601 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819897 765150955 /nfs/dbraw/zinc/15/09/55/765150955.db2.gz QSCPNITYLONDMV-HNNXBMFYSA-N 1 3 324.469 0.601 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584761 765580489 /nfs/dbraw/zinc/58/04/89/765580489.db2.gz WTTKWPLHQVAPIJ-KGLIPLIRSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001152330731 769529012 /nfs/dbraw/zinc/52/90/12/769529012.db2.gz UGXGJGOSTHTUQT-SJLPKXTDSA-N 1 3 319.449 0.464 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCOCC2CC2)CC1 ZINC001152329780 769529490 /nfs/dbraw/zinc/52/94/90/769529490.db2.gz BAVFCPYXBBIBOE-UHFFFAOYSA-N 1 3 307.438 0.464 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001152330281 769529539 /nfs/dbraw/zinc/52/95/39/769529539.db2.gz LAOPAFYGTGBGSP-INIZCTEOSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ocnc2C)CC1 ZINC001176926411 770225865 /nfs/dbraw/zinc/22/58/65/770225865.db2.gz LESKWGUCZLDIJR-UHFFFAOYSA-N 1 3 318.421 0.924 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902475 770898921 /nfs/dbraw/zinc/89/89/21/770898921.db2.gz SHUVLDYPQZZFIF-HOCLYGCPSA-N 1 3 307.438 0.700 20 30 DCEDHO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184425854 771787107 /nfs/dbraw/zinc/78/71/07/771787107.db2.gz ZONUEXRUHZPKQM-DGNOSDGRSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCO)CC1 ZINC001158914896 771833874 /nfs/dbraw/zinc/83/38/74/771833874.db2.gz VIRXJMBKCLKIAS-QGZVFWFLSA-N 1 3 321.465 0.637 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCO)CC1 ZINC001158914896 771833880 /nfs/dbraw/zinc/83/38/80/771833880.db2.gz VIRXJMBKCLKIAS-QGZVFWFLSA-N 1 3 321.465 0.637 20 30 DCEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159155326 771867376 /nfs/dbraw/zinc/86/73/76/771867376.db2.gz MRJALWBYCQJWHF-ZDUSSCGKSA-N 1 3 316.421 0.064 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554780 772054592 /nfs/dbraw/zinc/05/45/92/772054592.db2.gz GPVIXSDDDMWNTB-OAHLLOKOSA-N 1 3 322.453 0.211 20 30 DCEDHO N#Cc1ccc(N2CCCN(C(=O)[C@H](N)CCC[NH3+])CC2)nc1 ZINC001160602665 772076851 /nfs/dbraw/zinc/07/68/51/772076851.db2.gz IYOFQSLFUJSUPP-CQSZACIVSA-N 1 3 316.409 0.058 20 30 DCEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802397 772544306 /nfs/dbraw/zinc/54/43/06/772544306.db2.gz YEOLJZVNAPQVFB-JKSUJKDBSA-N 1 3 319.449 0.818 20 30 DCEDHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649999 772918049 /nfs/dbraw/zinc/91/80/49/772918049.db2.gz DZZRJVJHYXGNAM-HZPDHXFCSA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791726 772924604 /nfs/dbraw/zinc/92/46/04/772924604.db2.gz KIESFRJZRKPNIP-JKSUJKDBSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205515980 772997501 /nfs/dbraw/zinc/99/75/01/772997501.db2.gz IGXDNAUNBJVXAZ-OAHLLOKOSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)COC)C2)CC1 ZINC001194245561 773167677 /nfs/dbraw/zinc/16/76/77/773167677.db2.gz CMYWTUNCYAWUAF-NVXWUHKLSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)COC)C2)CC1 ZINC001194245561 773167679 /nfs/dbraw/zinc/16/76/79/773167679.db2.gz CMYWTUNCYAWUAF-NVXWUHKLSA-N 1 3 321.465 0.899 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750933 773734143 /nfs/dbraw/zinc/73/41/43/773734143.db2.gz OVRGTGAPGIUGDL-OAHLLOKOSA-N 1 3 324.469 0.601 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210811465 773741795 /nfs/dbraw/zinc/74/17/95/773741795.db2.gz OJUJAHZLEZRSAL-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458932 774074889 /nfs/dbraw/zinc/07/48/89/774074889.db2.gz QOHVXYJCVFOKRF-MGPQQGTHSA-N 1 3 310.442 0.065 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853584 774143535 /nfs/dbraw/zinc/14/35/35/774143535.db2.gz IMIFRAAPOJYQLO-QLFBSQMISA-N 1 3 324.469 0.454 20 30 DCEDHO N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@H](O)C2)sc2c1CCNC2 ZINC001218553278 774245642 /nfs/dbraw/zinc/24/56/42/774245642.db2.gz OQMMCYHNGHVWGU-RKDXNWHRSA-N 1 3 306.391 0.174 20 30 DCEDHO CC(=O)Nc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1C#N ZINC001218915639 774326214 /nfs/dbraw/zinc/32/62/14/774326214.db2.gz RFVAIRGJRDIQMV-ZDUSSCGKSA-N 1 3 303.366 0.911 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528485 774362537 /nfs/dbraw/zinc/36/25/37/774362537.db2.gz LPWXTKHZDWOIPZ-HZPDHXFCSA-N 1 3 305.422 0.169 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200687483 774390304 /nfs/dbraw/zinc/39/03/04/774390304.db2.gz CIYGLSHHWYJIRQ-OAHLLOKOSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531685 774886072 /nfs/dbraw/zinc/88/60/72/774886072.db2.gz KNVWMVUMDZOZCW-HIFRSBDPSA-N 1 3 322.453 0.045 20 30 DCEDHO CN(C)CC#CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001228030575 776038841 /nfs/dbraw/zinc/03/88/41/776038841.db2.gz AQIMOAYOLCUXPF-MRXNPFEDSA-N 1 3 322.453 0.494 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267569268 939504552 /nfs/dbraw/zinc/50/45/52/939504552.db2.gz RVBLNTGASSZXBQ-IRXDYDNUSA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267569268 939504556 /nfs/dbraw/zinc/50/45/56/939504556.db2.gz RVBLNTGASSZXBQ-IRXDYDNUSA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267685018 939624806 /nfs/dbraw/zinc/62/48/06/939624806.db2.gz WWOLQZOOCKPIRD-IAGOWNOFSA-N 1 3 321.465 0.758 20 30 DCEDHO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001267685018 939624809 /nfs/dbraw/zinc/62/48/09/939624809.db2.gz WWOLQZOOCKPIRD-IAGOWNOFSA-N 1 3 321.465 0.758 20 30 DCEDHO COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001267932012 939707824 /nfs/dbraw/zinc/70/78/24/939707824.db2.gz KTAZRSMBZDAXFZ-WKILWMFISA-N 1 3 309.454 0.993 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001481301849 939731765 /nfs/dbraw/zinc/73/17/65/939731765.db2.gz DKNTYCHXURZKFS-GJZGRUSLSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001481301849 939731768 /nfs/dbraw/zinc/73/17/68/939731768.db2.gz DKNTYCHXURZKFS-GJZGRUSLSA-N 1 3 322.453 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001481461594 939875350 /nfs/dbraw/zinc/87/53/50/939875350.db2.gz FKWPEVGKWTUTFG-OAHLLOKOSA-N 1 3 307.438 0.152 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001481461594 939875357 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C=CCN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485998389 944473884 /nfs/dbraw/zinc/47/38/84/944473884.db2.gz WNIAVZNWTTVNFF-LSDHHAIUSA-N 1 3 309.454 0.894 20 30 DCEDHO C=CCN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485998389 944473891 /nfs/dbraw/zinc/47/38/91/944473891.db2.gz WNIAVZNWTTVNFF-LSDHHAIUSA-N 1 3 309.454 0.894 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133476 944587977 /nfs/dbraw/zinc/58/79/77/944587977.db2.gz COCKVOPZNQHBRL-UONOGXRCSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486240217 944664323 /nfs/dbraw/zinc/66/43/23/944664323.db2.gz JYOATOXIEVAZOJ-ZDUSSCGKSA-N 1 3 310.442 0.067 20 30 DCEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317005085 944733914 /nfs/dbraw/zinc/73/39/14/944733914.db2.gz DWYBNIUYGUBVLF-HZPDHXFCSA-N 1 3 319.449 0.559 20 30 DCEDHO COCC#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317005085 944733918 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CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC#CCOC)C1)N(C)C ZINC001278511254 945613932 /nfs/dbraw/zinc/61/39/32/945613932.db2.gz HRIKZUANQYRJMA-WBVHZDCISA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCOC[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001251897488 945815191 /nfs/dbraw/zinc/81/51/91/945815191.db2.gz YYZTZNMSJHRVTP-GOSISDBHSA-N 1 3 317.433 0.894 20 30 DCEDHO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCOCC1 ZINC001278707381 946101906 /nfs/dbraw/zinc/10/19/06/946101906.db2.gz JVBHWYOOJKOKBU-HNNXBMFYSA-N 1 3 307.438 0.747 20 30 DCEDHO C=C[C@H](O)C[NH+]1CCC(N2CCC(C(=O)N(C)C)CC2)CC1 ZINC001253582085 946135275 /nfs/dbraw/zinc/13/52/75/946135275.db2.gz MGTUWIYXJIGMAI-INIZCTEOSA-N 1 3 309.454 0.798 20 30 DCEDHO C=C(Cl)CNC/C=C\CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001321400621 946315458 /nfs/dbraw/zinc/31/54/58/946315458.db2.gz CXOKLQHJCBYWQR-DHCBQETCSA-N 1 3 315.845 0.969 20 30 DCEDHO C#CCOCCOCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254163890 946326402 /nfs/dbraw/zinc/32/64/02/946326402.db2.gz ABNHOKGWWKYECB-UHFFFAOYSA-N 1 3 309.414 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCOC)C2CC2)CC1 ZINC001323116053 946939736 /nfs/dbraw/zinc/93/97/36/946939736.db2.gz ZYWMCUXZXVCYAC-MRXNPFEDSA-N 1 3 307.438 0.462 20 30 DCEDHO C=CCCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001263099670 947807896 /nfs/dbraw/zinc/80/78/96/947807896.db2.gz QUJLMEHDNZHFEK-LSDHHAIUSA-N 1 3 324.469 0.729 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1 ZINC001326418888 948156320 /nfs/dbraw/zinc/15/63/20/948156320.db2.gz MHSONZKMUHPEAQ-MRXNPFEDSA-N 1 3 309.454 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC)CCOCC2)CC1 ZINC001327671147 948590005 /nfs/dbraw/zinc/59/00/05/948590005.db2.gz IGOOVUFNQBHAPG-UHFFFAOYSA-N 1 3 321.465 0.997 20 30 DCEDHO O=C(C#CC1CC[NH2+]CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327933815 948668227 /nfs/dbraw/zinc/66/82/27/948668227.db2.gz ZVLQOEKXJBSWSB-MRXNPFEDSA-N 1 3 305.422 0.359 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)C[C@H]1OCC ZINC001263966423 948819397 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C#CCN1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)CC1 ZINC001331843939 951357570 /nfs/dbraw/zinc/35/75/70/951357570.db2.gz ZACJZJNPFJJIJI-INIZCTEOSA-N 1 3 307.438 0.198 20 30 DCEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001340921121 953203249 /nfs/dbraw/zinc/20/32/49/953203249.db2.gz QHELROCNPMKINA-ZWUHOBOKSA-N 1 3 309.410 0.409 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491855913 959309725 /nfs/dbraw/zinc/30/97/25/959309725.db2.gz LUSAXZLQZZPAMX-IAGOWNOFSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)N2CCCC2)C1 ZINC001502580464 1015980768 /nfs/dbraw/zinc/98/07/68/1015980768.db2.gz NDGPWJAQYYAUOZ-GOSISDBHSA-N 1 3 321.465 0.827 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001502586818 1015986281 /nfs/dbraw/zinc/98/62/81/1015986281.db2.gz VLKBEXWHTCNXPO-NVXWUHKLSA-N 1 3 309.454 0.539 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC001401558730 1000495710 /nfs/dbraw/zinc/49/57/10/1000495710.db2.gz QOBSOAPPBPDFFT-CQSZACIVSA-N 1 3 322.384 0.216 20 30 DCEDHO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507727951 1016558584 /nfs/dbraw/zinc/55/85/84/1016558584.db2.gz LEKBOJLCBYZUDZ-JKSUJKDBSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507727951 1016558597 /nfs/dbraw/zinc/55/85/97/1016558597.db2.gz LEKBOJLCBYZUDZ-JKSUJKDBSA-N 1 3 309.454 0.635 20 30 DCEDHO COCC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001499620510 1017999768 /nfs/dbraw/zinc/99/97/68/1017999768.db2.gz XDTLJRUKNNLZCC-WMZOPIPTSA-N 1 3 319.449 0.512 20 30 DCEDHO COCC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001499620510 1017999780 /nfs/dbraw/zinc/99/97/80/1017999780.db2.gz XDTLJRUKNNLZCC-WMZOPIPTSA-N 1 3 319.449 0.512 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497443224 1018139694 /nfs/dbraw/zinc/13/96/94/1018139694.db2.gz MUUZBNSWCFWUAT-HOTGVXAUSA-N 1 3 309.454 0.805 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497443224 1018139701 /nfs/dbraw/zinc/13/97/01/1018139701.db2.gz MUUZBNSWCFWUAT-HOTGVXAUSA-N 1 3 309.454 0.805 20 30 DCEDHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCC#CCOC ZINC001497766222 1018398990 /nfs/dbraw/zinc/39/89/90/1018398990.db2.gz UKUXVMLGPMZIBF-SQRWCISFSA-N 1 3 307.438 0.773 20 30 DCEDHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCC#CCOC ZINC001497766222 1018399000 /nfs/dbraw/zinc/39/90/00/1018399000.db2.gz UKUXVMLGPMZIBF-SQRWCISFSA-N 1 3 307.438 0.773 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001498132208 1018676633 /nfs/dbraw/zinc/67/66/33/1018676633.db2.gz KCFSOSUIFXIPPF-HOTGVXAUSA-N 1 3 309.454 0.993 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480624866 1018719202 /nfs/dbraw/zinc/71/92/02/1018719202.db2.gz WFTVQQCLDRANQQ-DLBZAZTESA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001480770172 1018888778 /nfs/dbraw/zinc/88/87/78/1018888778.db2.gz PIAFHNRUINDWDO-UONOGXRCSA-N 1 3 322.453 0.093 20 30 DCEDHO CNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000267457938 530039380 /nfs/dbraw/zinc/03/93/80/530039380.db2.gz UEYWLERLDOXBFY-AWEZNQCLSA-N 1 3 303.410 0.418 20 30 DCEDHO COC[C@@H](C)NC(=[NH2+])NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273038239 238286833 /nfs/dbraw/zinc/28/68/33/238286833.db2.gz ZCQGMLKYSHIBCE-CZUORRHYSA-N 1 3 320.437 0.692 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000343744015 415704470 /nfs/dbraw/zinc/70/44/70/415704470.db2.gz XEMMXJMKMVDJJS-OAHLLOKOSA-N 1 3 322.453 0.306 20 30 DCEDHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424147852 416618431 /nfs/dbraw/zinc/61/84/31/416618431.db2.gz SLWCEFTWBZZIKG-GJZGRUSLSA-N 1 3 310.442 0.967 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000491709819 416618642 /nfs/dbraw/zinc/61/86/42/416618642.db2.gz XINAWWKCQVLFPM-JKSUJKDBSA-N 1 3 306.454 0.973 20 30 DCEDHO 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DCEDHO C#CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001754254783 1188800186 /nfs/dbraw/zinc/80/01/86/1188800186.db2.gz ODXKMLHJEMVPOI-HUUCEWRRSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001755441946 1189113917 /nfs/dbraw/zinc/11/39/17/1189113917.db2.gz LVLLAMXSDWKLBN-GDBMZVCRSA-N 1 3 307.438 0.700 20 30 DCEDHO CN(CCC#N)C[C@H](O)C[NH2+]C1CCN(C2CCOCC2)CC1 ZINC001772048709 1190599740 /nfs/dbraw/zinc/59/97/40/1190599740.db2.gz BDGLGWHUMNIWFG-QGZVFWFLSA-N 1 3 324.469 0.426 20 30 DCEDHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001122106437 750996932 /nfs/dbraw/zinc/99/69/32/750996932.db2.gz GDVPKCOAQWMRNT-UHFFFAOYSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035360 753437435 /nfs/dbraw/zinc/43/74/35/753437435.db2.gz JYULYZUEEWJJAZ-DLBZAZTESA-N 1 3 318.465 0.178 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205046 754557878 /nfs/dbraw/zinc/55/78/78/754557878.db2.gz OVYDGXVCUZFPQO-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833485 754967562 /nfs/dbraw/zinc/96/75/62/754967562.db2.gz PLGBNDIALVFHFD-VVLHAWIVSA-N 1 3 319.449 0.816 20 30 DCEDHO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833485 754967566 /nfs/dbraw/zinc/96/75/66/754967566.db2.gz PLGBNDIALVFHFD-VVLHAWIVSA-N 1 3 319.449 0.816 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)CC1 ZINC001049921509 755447939 /nfs/dbraw/zinc/44/79/39/755447939.db2.gz WSMTXAJMSZIFJO-IRXDYDNUSA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCO)CC1 ZINC001049921509 755447946 /nfs/dbraw/zinc/44/79/46/755447946.db2.gz WSMTXAJMSZIFJO-IRXDYDNUSA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOC)CC2)CC1 ZINC001052953880 755883744 /nfs/dbraw/zinc/88/37/44/755883744.db2.gz JHPXXHVFZJLHJG-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)CC2)CC1 ZINC001052953880 755883749 /nfs/dbraw/zinc/88/37/49/755883749.db2.gz JHPXXHVFZJLHJG-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086020 757485291 /nfs/dbraw/zinc/48/52/91/757485291.db2.gz ZLLVMAQEYQGREB-LVQVYYBASA-N 1 3 307.438 0.814 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086020 757485294 /nfs/dbraw/zinc/48/52/94/757485294.db2.gz ZLLVMAQEYQGREB-LVQVYYBASA-N 1 3 307.438 0.814 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCO)CCCCC2)CC1 ZINC001120197020 758229323 /nfs/dbraw/zinc/22/93/23/758229323.db2.gz RZVRFTOTGXVOMG-UHFFFAOYSA-N 1 3 321.465 0.733 20 30 DCEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099871433 763090728 /nfs/dbraw/zinc/09/07/28/763090728.db2.gz DBHNFRUWGIOFNY-GJZGRUSLSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099871433 763090731 /nfs/dbraw/zinc/09/07/31/763090731.db2.gz DBHNFRUWGIOFNY-GJZGRUSLSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141109 763347266 /nfs/dbraw/zinc/34/72/66/763347266.db2.gz LWCUBYODHKXGNZ-IAGOWNOFSA-N 1 3 321.465 0.827 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790773 764014753 /nfs/dbraw/zinc/01/47/53/764014753.db2.gz VKICSDKHSXJSJM-UKRRQHHQSA-N 1 3 322.453 0.257 20 30 DCEDHO COCC#CCNCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799131 764035538 /nfs/dbraw/zinc/03/55/38/764035538.db2.gz JFXVQCOKXKLTKG-UHFFFAOYSA-N 1 3 317.433 0.760 20 30 DCEDHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101418331 764088705 /nfs/dbraw/zinc/08/87/05/764088705.db2.gz MFCJNLVPKGIYPV-AEFFLSMTSA-N 1 3 321.465 0.758 20 30 DCEDHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101418331 764088718 /nfs/dbraw/zinc/08/87/18/764088718.db2.gz MFCJNLVPKGIYPV-AEFFLSMTSA-N 1 3 321.465 0.758 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134606775 765599541 /nfs/dbraw/zinc/59/95/41/765599541.db2.gz ASJDFUIUDTWMJH-UONOGXRCSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830800 766648661 /nfs/dbraw/zinc/64/86/61/766648661.db2.gz OWHQSIZRQLAZSQ-CVEARBPZSA-N 1 3 307.438 0.291 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830800 766648668 /nfs/dbraw/zinc/64/86/68/766648668.db2.gz OWHQSIZRQLAZSQ-CVEARBPZSA-N 1 3 307.438 0.291 20 30 DCEDHO CN(C)CC#CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120492809 767040076 /nfs/dbraw/zinc/04/00/76/767040076.db2.gz PJBXWTNKPSPHJD-CYBMUJFWSA-N 1 3 307.350 0.489 20 30 DCEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120537286 767068187 /nfs/dbraw/zinc/06/81/87/767068187.db2.gz XLVSFBSPPOVJRR-HNNXBMFYSA-N 1 3 322.453 0.399 20 30 DCEDHO C[N@@H+]1CC[C@@](O)(CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591026 767088093 /nfs/dbraw/zinc/08/80/93/767088093.db2.gz TUJOISPQMKATCD-MRXNPFEDSA-N 1 3 302.378 0.543 20 30 DCEDHO C[N@H+]1CC[C@@](O)(CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591026 767088102 /nfs/dbraw/zinc/08/81/02/767088102.db2.gz TUJOISPQMKATCD-MRXNPFEDSA-N 1 3 302.378 0.543 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001152330472 769528860 /nfs/dbraw/zinc/52/88/60/769528860.db2.gz OKKDKXWCXZEXPB-OAHLLOKOSA-N 1 3 307.438 0.464 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152457946 769566845 /nfs/dbraw/zinc/56/68/45/769566845.db2.gz JFDHQQFNQXWYGM-ZIAGYGMSSA-N 1 3 310.442 0.257 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183738278 771695669 /nfs/dbraw/zinc/69/56/69/771695669.db2.gz LYCYPHBOEZYTSU-UONOGXRCSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183738278 771695674 /nfs/dbraw/zinc/69/56/74/771695674.db2.gz LYCYPHBOEZYTSU-UONOGXRCSA-N 1 3 324.469 0.598 20 30 DCEDHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)C1 ZINC001185090453 771859541 /nfs/dbraw/zinc/85/95/41/771859541.db2.gz MBPKRCGSYVKSDA-IAGOWNOFSA-N 1 3 321.465 0.949 20 30 DCEDHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)C1 ZINC001185090453 771859547 /nfs/dbraw/zinc/85/95/47/771859547.db2.gz MBPKRCGSYVKSDA-IAGOWNOFSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446619 771914984 /nfs/dbraw/zinc/91/49/84/771914984.db2.gz QMESBCRXMJOZLJ-UKRRQHHQSA-N 1 3 310.442 0.065 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161232336 772187145 /nfs/dbraw/zinc/18/71/45/772187145.db2.gz DFAXYZWINRJGJT-CYBMUJFWSA-N 1 3 312.458 0.503 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106155 772273618 /nfs/dbraw/zinc/27/36/18/772273618.db2.gz ATNXSLDNBRTEGO-OAHLLOKOSA-N 1 3 322.453 0.355 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284562 773789942 /nfs/dbraw/zinc/78/99/42/773789942.db2.gz MZOOMSXPVZIZGP-CABCVRRESA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743426 773969798 /nfs/dbraw/zinc/96/97/98/773969798.db2.gz AOVDSRPJGREBEJ-HZPDHXFCSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184898 774047171 /nfs/dbraw/zinc/04/71/71/774047171.db2.gz UBKJEOQMJSHJCW-MYPHYYIGSA-N 1 3 317.433 0.309 20 30 DCEDHO N#Cc1c(NC(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)sc2c1CCNC2 ZINC001218553275 774245747 /nfs/dbraw/zinc/24/57/47/774245747.db2.gz OQMMCYHNGHVWGU-IUCAKERBSA-N 1 3 306.391 0.174 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200721137 774398043 /nfs/dbraw/zinc/39/80/43/774398043.db2.gz HVTGQUOIZNOTGT-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721137 774398053 /nfs/dbraw/zinc/39/80/53/774398053.db2.gz HVTGQUOIZNOTGT-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239891 774469209 /nfs/dbraw/zinc/46/92/09/774469209.db2.gz LYKIPCWKPBPGIE-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239891 774469213 /nfs/dbraw/zinc/46/92/13/774469213.db2.gz LYKIPCWKPBPGIE-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201343672 774496662 /nfs/dbraw/zinc/49/66/62/774496662.db2.gz KCTCZFVQFZFXKM-JKSUJKDBSA-N 1 3 309.454 0.803 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496764 774729500 /nfs/dbraw/zinc/72/95/00/774729500.db2.gz XRFIVDZZHNAOFY-HNNXBMFYSA-N 1 3 307.438 0.559 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202517984 774836368 /nfs/dbraw/zinc/83/63/68/774836368.db2.gz GRDYHAQUIUUXRN-UHFFFAOYSA-N 1 3 321.465 0.949 20 30 DCEDHO C=C[C@@H]1C[C@]1(NC(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)OCC ZINC001220571301 774847582 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CN(C)CCOc1cc(CNC(=[NH2+])N2CCOCC2)ccn1 ZINC000270578580 238276274 /nfs/dbraw/zinc/27/62/74/238276274.db2.gz PFWFHRGVEDPBHX-UHFFFAOYSA-N 1 3 307.398 0.169 20 30 DCEDHO CN1CC[NH+]=C1NCCCN1CCN(c2ccncc2)CC1 ZINC000284914315 415603474 /nfs/dbraw/zinc/60/34/74/415603474.db2.gz BFZNRBOLPNDGMG-UHFFFAOYSA-N 1 3 302.426 0.485 20 30 DCEDHO C=C(C)C[NH+]1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636743103 416851414 /nfs/dbraw/zinc/85/14/14/416851414.db2.gz VOYMNVVIMGNXIY-OAHLLOKOSA-N 1 3 310.442 0.393 20 30 DCEDHO C=CC[C@@]1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000662756242 417891496 /nfs/dbraw/zinc/89/14/96/417891496.db2.gz ILGVYDXRQHVGNJ-WMZOPIPTSA-N 1 3 320.481 0.923 20 30 DCEDHO C=CC[C@@]1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CCC[NH2+]1 ZINC000662758893 417894041 /nfs/dbraw/zinc/89/40/41/417894041.db2.gz VASVDNDCAKYQEN-RDJZCZTQSA-N 1 3 308.470 0.684 20 30 DCEDHO C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418511386 269870570 /nfs/dbraw/zinc/87/05/70/269870570.db2.gz JJJQYYJNCAYDOQ-CYBMUJFWSA-N 1 3 303.410 0.979 20 30 DCEDHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330176477 336121104 /nfs/dbraw/zinc/12/11/04/336121104.db2.gz CIMMLCUPPJNLKC-KLHDSHLOSA-N 1 3 324.469 0.914 20 30 DCEDHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330176477 336121106 /nfs/dbraw/zinc/12/11/06/336121106.db2.gz CIMMLCUPPJNLKC-KLHDSHLOSA-N 1 3 324.469 0.914 20 30 DCEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000424054921 337730851 /nfs/dbraw/zinc/73/08/51/337730851.db2.gz CHRZINZPCOZONJ-ZDUSSCGKSA-N 1 3 302.382 0.451 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000304013942 340358694 /nfs/dbraw/zinc/35/86/94/340358694.db2.gz VXYQYBZNYJJRPV-QGZVFWFLSA-N 1 3 321.465 0.541 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343774408 517333813 /nfs/dbraw/zinc/33/38/13/517333813.db2.gz XFNHXADRSJRDIL-ZFWWWQNUSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343774408 517333832 /nfs/dbraw/zinc/33/38/32/517333832.db2.gz XFNHXADRSJRDIL-ZFWWWQNUSA-N 1 3 322.453 0.352 20 30 DCEDHO CCNC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000267416794 528942137 /nfs/dbraw/zinc/94/21/37/528942137.db2.gz JKGAIEKPWVRXEY-OAHLLOKOSA-N 1 3 317.437 0.808 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891920805 657918251 /nfs/dbraw/zinc/91/82/51/657918251.db2.gz DKRICCJJKKGHAZ-OAHLLOKOSA-N 1 3 322.453 0.399 20 30 DCEDHO CC(C)NC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000104181851 658188256 /nfs/dbraw/zinc/18/82/56/658188256.db2.gz QYMDNRVCMBUTCH-UHFFFAOYSA-N 1 3 305.426 0.791 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001023762329 658217831 /nfs/dbraw/zinc/21/78/31/658217831.db2.gz WQTMMXHDCZMGHN-INIZCTEOSA-N 1 3 321.465 0.542 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001023762329 658217838 /nfs/dbraw/zinc/21/78/38/658217838.db2.gz WQTMMXHDCZMGHN-INIZCTEOSA-N 1 3 321.465 0.542 20 30 DCEDHO C#CCN1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857172 661852872 /nfs/dbraw/zinc/85/28/72/661852872.db2.gz VAQFDHYUGYOVEG-CQSZACIVSA-N 1 3 303.410 0.130 20 30 DCEDHO CC1(C)C[NH2+]CC[C@H](NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358499 663410697 /nfs/dbraw/zinc/41/06/97/663410697.db2.gz CSIOIGUDSQABJV-TZFAWSOVSA-N 1 3 306.410 0.881 20 30 DCEDHO CN(C)CC#CCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000913523647 664334992 /nfs/dbraw/zinc/33/49/92/664334992.db2.gz HKPFTNIYPKKGBB-CVEARBPZSA-N 1 3 317.437 0.137 20 30 DCEDHO CN(C)CC#CCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000913523647 664334995 /nfs/dbraw/zinc/33/49/95/664334995.db2.gz HKPFTNIYPKKGBB-CVEARBPZSA-N 1 3 317.437 0.137 20 30 DCEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033278132 666659193 /nfs/dbraw/zinc/65/91/93/666659193.db2.gz MDNIVWLPLMVGHN-NDUQDZPOSA-N 1 3 319.449 0.958 20 30 DCEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033278132 666659194 /nfs/dbraw/zinc/65/91/94/666659194.db2.gz MDNIVWLPLMVGHN-NDUQDZPOSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC001035712696 667402838 /nfs/dbraw/zinc/40/28/38/667402838.db2.gz KOWZSIIALPNQEH-JKSUJKDBSA-N 1 3 319.449 0.960 20 30 DCEDHO C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC001035712696 667402839 /nfs/dbraw/zinc/40/28/39/667402839.db2.gz KOWZSIIALPNQEH-JKSUJKDBSA-N 1 3 319.449 0.960 20 30 DCEDHO C#CCN1CCC[C@@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205734 667498261 /nfs/dbraw/zinc/49/82/61/667498261.db2.gz DRGGVALEEZIEDK-HZPDHXFCSA-N 1 3 321.469 0.019 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884643049 667581238 /nfs/dbraw/zinc/58/12/38/667581238.db2.gz VWSLAXYYAQFLHY-AWEZNQCLSA-N 1 3 308.426 0.093 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889775208 667996022 /nfs/dbraw/zinc/99/60/22/667996022.db2.gz UNMIXIAMIYIFNA-SJORKVTESA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000889775208 667996023 /nfs/dbraw/zinc/99/60/23/667996023.db2.gz UNMIXIAMIYIFNA-SJORKVTESA-N 1 3 319.449 0.389 20 30 DCEDHO C=CCN1CCC2(CC1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC000949230137 670292102 /nfs/dbraw/zinc/29/21/02/670292102.db2.gz KITUADGSDCFLHQ-UHFFFAOYSA-N 1 3 319.449 0.962 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000816750769 670857644 /nfs/dbraw/zinc/85/76/44/670857644.db2.gz RNSFVILNVZXJCK-SJORKVTESA-N 1 3 319.449 0.653 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000816750769 670857647 /nfs/dbraw/zinc/85/76/47/670857647.db2.gz RNSFVILNVZXJCK-SJORKVTESA-N 1 3 319.449 0.653 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303882681 685207979 /nfs/dbraw/zinc/20/79/79/685207979.db2.gz IHDNDNNPWKVTMU-OAHLLOKOSA-N 1 3 317.437 0.935 20 30 DCEDHO CN(CCNC(=[NH2+])NCCCN1CCOCC1)C1CCCC1 ZINC000304762814 685212283 /nfs/dbraw/zinc/21/22/83/685212283.db2.gz WAEXEFAFQOSVPD-UHFFFAOYSA-N 1 3 311.474 0.487 20 30 DCEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535014 694109524 /nfs/dbraw/zinc/10/95/24/694109524.db2.gz JTFJOZLVLUTYFY-DGNOSDGRSA-N 1 3 305.422 0.616 20 30 DCEDHO C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535014 694109527 /nfs/dbraw/zinc/10/95/27/694109527.db2.gz JTFJOZLVLUTYFY-DGNOSDGRSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723223 687875612 /nfs/dbraw/zinc/87/56/12/687875612.db2.gz DPPBRMGCJYPISC-DLBZAZTESA-N 1 3 321.465 0.397 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723223 687875616 /nfs/dbraw/zinc/87/56/16/687875616.db2.gz DPPBRMGCJYPISC-DLBZAZTESA-N 1 3 321.465 0.397 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724578 687877653 /nfs/dbraw/zinc/87/76/53/687877653.db2.gz QHCZXVXILMLHGD-SJORKVTESA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724578 687877664 /nfs/dbraw/zinc/87/76/64/687877664.db2.gz QHCZXVXILMLHGD-SJORKVTESA-N 1 3 321.465 0.541 20 30 DCEDHO C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000963830080 689101713 /nfs/dbraw/zinc/10/17/13/689101713.db2.gz IDALVDRTPYWYMR-YZWRWTPUSA-N 1 3 317.433 0.500 20 30 DCEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015322176 692262986 /nfs/dbraw/zinc/26/29/86/692262986.db2.gz ASEIBMLGLCKLMY-GWUWNPHMSA-N 1 3 305.422 0.616 20 30 DCEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015322176 692262990 /nfs/dbraw/zinc/26/29/90/692262990.db2.gz ASEIBMLGLCKLMY-GWUWNPHMSA-N 1 3 305.422 0.616 20 30 DCEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015322985 692263414 /nfs/dbraw/zinc/26/34/14/692263414.db2.gz GLBHDFVLEKVBOB-GWUWNPHMSA-N 1 3 305.422 0.616 20 30 DCEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015322985 692263417 /nfs/dbraw/zinc/26/34/17/692263417.db2.gz GLBHDFVLEKVBOB-GWUWNPHMSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073745637 694776215 /nfs/dbraw/zinc/77/62/15/694776215.db2.gz DCLMOOBOICMHCV-YESZJQIVSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073745637 694776217 /nfs/dbraw/zinc/77/62/17/694776217.db2.gz DCLMOOBOICMHCV-YESZJQIVSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cnn(C)c1 ZINC001691286061 1157630892 /nfs/dbraw/zinc/63/08/92/1157630892.db2.gz NDQFZCANSCUJTG-JKSUJKDBSA-N 1 3 319.453 0.832 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001568369729 1160637463 /nfs/dbraw/zinc/63/74/63/1160637463.db2.gz VLIUOBKVVACTBI-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCN1CC[C@@H](NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001569077078 1160936043 /nfs/dbraw/zinc/93/60/43/1160936043.db2.gz GQAQCKLUQIGABW-UONOGXRCSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001569748779 1161220834 /nfs/dbraw/zinc/22/08/34/1161220834.db2.gz IUTZNOFJSONBEF-HIFRSBDPSA-N 1 3 301.406 0.405 20 30 DCEDHO C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001569748779 1161220837 /nfs/dbraw/zinc/22/08/37/1161220837.db2.gz IUTZNOFJSONBEF-HIFRSBDPSA-N 1 3 301.406 0.405 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001570354572 1161579402 /nfs/dbraw/zinc/57/94/02/1161579402.db2.gz OGNSZQLYRIWKHC-HIFRSBDPSA-N 1 3 322.453 0.067 20 30 DCEDHO COCC[C@@H](N)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001579000932 1165185845 /nfs/dbraw/zinc/18/58/45/1165185845.db2.gz DBHVZFDTRDOLNN-CVEARBPZSA-N 1 3 316.405 0.613 20 30 DCEDHO C[NH+]1CCC(O)(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC001645881880 1172168634 /nfs/dbraw/zinc/16/86/34/1172168634.db2.gz ACISCZGNQLFPEB-UHFFFAOYSA-N 1 3 300.366 0.147 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646794147 1172536248 /nfs/dbraw/zinc/53/62/48/1172536248.db2.gz BUBABZMXICYNQI-IINYFYTJSA-N 1 3 309.801 0.453 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCOC)C2)CC1 ZINC001665597213 1174534041 /nfs/dbraw/zinc/53/40/41/1174534041.db2.gz SVNLJGCPCWLVDL-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCOC)C2)CC1 ZINC001665597213 1174534047 /nfs/dbraw/zinc/53/40/47/1174534047.db2.gz SVNLJGCPCWLVDL-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)CN2CCCC2)C1=O ZINC001670345462 1175005568 /nfs/dbraw/zinc/00/55/68/1175005568.db2.gz VLJAQIQKCFMBNA-OAHLLOKOSA-N 1 3 322.453 0.307 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001671999378 1175060095 /nfs/dbraw/zinc/06/00/95/1175060095.db2.gz XBDKXINAFJNXHH-RDJZCZTQSA-N 1 3 307.438 0.436 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001671999378 1175060098 /nfs/dbraw/zinc/06/00/98/1175060098.db2.gz XBDKXINAFJNXHH-RDJZCZTQSA-N 1 3 307.438 0.436 20 30 DCEDHO CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001673671350 1175220983 /nfs/dbraw/zinc/22/09/83/1175220983.db2.gz LCPOZPYBKZVJIG-INMHGKMJSA-N 1 3 307.438 0.293 20 30 DCEDHO CC#CCN[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001673671350 1175220990 /nfs/dbraw/zinc/22/09/90/1175220990.db2.gz LCPOZPYBKZVJIG-INMHGKMJSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCOC(C)C)C2)CC1 ZINC001690300357 1177211364 /nfs/dbraw/zinc/21/13/64/1177211364.db2.gz YMAAAPCPAXLGNE-QAQDUYKDSA-N 1 3 321.465 0.993 20 30 DCEDHO COCC#CCN[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690628484 1177287245 /nfs/dbraw/zinc/28/72/45/1177287245.db2.gz OHTACZVPUHAZFF-CVEARBPZSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001690628484 1177287250 /nfs/dbraw/zinc/28/72/50/1177287250.db2.gz OHTACZVPUHAZFF-CVEARBPZSA-N 1 3 309.454 0.995 20 30 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C#CCC[NH2+]C1CCN(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001484422094 943368235 /nfs/dbraw/zinc/36/82/35/943368235.db2.gz PNIPSFOGXOORRK-INIZCTEOSA-N 1 3 308.470 0.520 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001484887161 943613682 /nfs/dbraw/zinc/61/36/82/943613682.db2.gz FVRPHPNKRCFUMN-GOEBONIOSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001318525528 945393507 /nfs/dbraw/zinc/39/35/07/945393507.db2.gz XQXSUMWCCHAQRZ-HUUCEWRRSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001318525528 945393514 /nfs/dbraw/zinc/39/35/14/945393514.db2.gz XQXSUMWCCHAQRZ-HUUCEWRRSA-N 1 3 322.453 0.093 20 30 DCEDHO C=CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001319525196 945611636 /nfs/dbraw/zinc/61/16/36/945611636.db2.gz MJVQEMVBVOTCLY-UONOGXRCSA-N 1 3 310.442 0.162 20 30 DCEDHO C#CCOC[C@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001251896137 945811287 /nfs/dbraw/zinc/81/12/87/945811287.db2.gz BGFMCRFJGKZFSG-QGZVFWFLSA-N 1 3 310.438 0.478 20 30 DCEDHO C=C(Cl)CNC/C=C/CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001321400622 946313056 /nfs/dbraw/zinc/31/30/56/946313056.db2.gz CXOKLQHJCBYWQR-ITDFMYJTSA-N 1 3 315.845 0.969 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001323051936 946916655 /nfs/dbraw/zinc/91/66/55/946916655.db2.gz PLBNZERQLJBNSB-MRXNPFEDSA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001324096727 947313216 /nfs/dbraw/zinc/31/32/16/947313216.db2.gz DKXDVLZGDUKHFE-HZPDHXFCSA-N 1 3 309.454 0.946 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001273456639 947738045 /nfs/dbraw/zinc/73/80/45/947738045.db2.gz KWZKMANNLZZEMY-HNNXBMFYSA-N 1 3 307.438 0.701 20 30 DCEDHO CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001325806876 947929351 /nfs/dbraw/zinc/92/93/51/947929351.db2.gz WYCDNOACDKWWAI-QGZVFWFLSA-N 1 3 322.497 0.766 20 30 DCEDHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1)N(C)C ZINC001326362090 948139422 /nfs/dbraw/zinc/13/94/22/948139422.db2.gz ADALNDQNYMKFMM-CVEARBPZSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001327777423 948623854 /nfs/dbraw/zinc/62/38/54/948623854.db2.gz FQXPVMRKRWVNCI-ZNMIVQPWSA-N 1 3 324.469 0.598 20 30 DCEDHO C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001273885870 948655598 /nfs/dbraw/zinc/65/55/98/948655598.db2.gz QHEABIMRXSULIJ-KRWDZBQOSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001273883360 948655937 /nfs/dbraw/zinc/65/59/37/948655937.db2.gz AHHOCVURUJDUFM-QGZVFWFLSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[NH2+][C@]1(CO)CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001273909818 948674353 /nfs/dbraw/zinc/67/43/53/948674353.db2.gz BIDLJWHDGSVUMG-DOTOQJQBSA-N 1 3 309.454 0.847 20 30 DCEDHO C#CCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001488980466 949400330 /nfs/dbraw/zinc/40/03/30/949400330.db2.gz CSOXFRICGGKOJF-JKSUJKDBSA-N 1 3 317.437 0.279 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265871835 950071286 /nfs/dbraw/zinc/07/12/86/950071286.db2.gz HNLVRABUAIIHSG-UHFFFAOYSA-N 1 3 321.465 0.950 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978647 950228967 /nfs/dbraw/zinc/22/89/67/950228967.db2.gz SUKUEMXUVSSGHL-UHFFFAOYSA-N 1 3 309.454 0.950 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CC#CC)CCC2)CC1 ZINC001280545701 950934020 /nfs/dbraw/zinc/93/40/20/950934020.db2.gz QHHABBPJCFTVCM-UHFFFAOYSA-N 1 3 301.434 0.983 20 30 DCEDHO C#CC[NH2+]CC1(NC(=O)CN(C)CC(C)(C)C)CCOCC1 ZINC001274003132 951316443 /nfs/dbraw/zinc/31/64/43/951316443.db2.gz VPZQJVYGRHWNEV-UHFFFAOYSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC)CCOCC2)CC1 ZINC001274021345 951334198 /nfs/dbraw/zinc/33/41/98/951334198.db2.gz SXPRUPOSMUTTQP-UHFFFAOYSA-N 1 3 307.438 0.607 20 30 DCEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCC#CCOC ZINC001274075654 951400190 /nfs/dbraw/zinc/40/01/90/951400190.db2.gz FPVTYGSLEFDIMY-AWFCHZOYSA-N 1 3 307.438 0.773 20 30 DCEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCC#CCOC ZINC001274075654 951400208 /nfs/dbraw/zinc/40/02/08/951400208.db2.gz FPVTYGSLEFDIMY-AWFCHZOYSA-N 1 3 307.438 0.773 20 30 DCEDHO C=CCN1CCC(NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001340077525 953142216 /nfs/dbraw/zinc/14/22/16/953142216.db2.gz QDCBBRXYROPPBK-OAHLLOKOSA-N 1 3 310.442 0.243 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243539 953531775 /nfs/dbraw/zinc/53/17/75/953531775.db2.gz XHMBVJQCWHJVAK-HZPDHXFCSA-N 1 3 319.449 0.464 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001352849776 955794807 /nfs/dbraw/zinc/79/48/07/955794807.db2.gz MHGLVGXKEBYKSX-DCAQKATOSA-N 1 3 306.332 0.993 20 30 DCEDHO C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506624458 1017419629 /nfs/dbraw/zinc/41/96/29/1017419629.db2.gz UOLHWDYHBUTOAX-IIAWOOMASA-N 1 3 309.454 0.966 20 30 DCEDHO C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506624458 1017419640 /nfs/dbraw/zinc/41/96/40/1017419640.db2.gz UOLHWDYHBUTOAX-IIAWOOMASA-N 1 3 309.454 0.966 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499422772 1017924934 /nfs/dbraw/zinc/92/49/34/1017924934.db2.gz YEBWDZWBBCFEIQ-HZPDHXFCSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)CN2CCCC2)C1=O ZINC001497495297 1018169183 /nfs/dbraw/zinc/16/91/83/1018169183.db2.gz CMXXPMZYZIESSY-HNNXBMFYSA-N 1 3 322.453 0.307 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480111124 1018213221 /nfs/dbraw/zinc/21/32/21/1018213221.db2.gz BVBFNFRUNIIFML-KGLIPLIRSA-N 1 3 322.453 0.352 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480665092 1018755665 /nfs/dbraw/zinc/75/56/65/1018755665.db2.gz ITDODQCLKRDOGM-CVEARBPZSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](CCO)C2CC2)CC1 ZINC001660753220 1174044491 /nfs/dbraw/zinc/04/44/91/1174044491.db2.gz OUXAXTWHSJDGIY-UHFFFAOYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@H+](CCO)C2CC2)CC1 ZINC001660753220 1174044494 /nfs/dbraw/zinc/04/44/94/1174044494.db2.gz OUXAXTWHSJDGIY-UHFFFAOYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN(C)CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000491781343 533103952 /nfs/dbraw/zinc/10/39/52/533103952.db2.gz JWWBNSDKQBPLNT-UHFFFAOYSA-N 1 3 310.442 0.352 20 30 DCEDHO CN1CCC(O)(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000329528428 416174474 /nfs/dbraw/zinc/17/44/74/416174474.db2.gz SQDQHLFQABPGPQ-UHFFFAOYSA-N 1 3 324.469 0.821 20 30 DCEDHO C=CC[C@@]1(C(=O)NCCCN2CCN(CC)CC2)CCC[NH2+]1 ZINC000662758733 417895456 /nfs/dbraw/zinc/89/54/56/417895456.db2.gz SGOAXYQUQRCTQO-KRWDZBQOSA-N 1 3 308.470 0.829 20 30 DCEDHO C=CC[C@@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000662815440 417914704 /nfs/dbraw/zinc/91/47/04/417914704.db2.gz UFLPGNYBDMYDRR-ZBFHGGJFSA-N 1 3 318.425 0.599 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000104156324 276377980 /nfs/dbraw/zinc/37/79/80/276377980.db2.gz CWQLPWYZWXETSZ-ZDUSSCGKSA-N 1 3 319.457 0.893 20 30 DCEDHO C[C@H](CNC(=O)NC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000329670786 289394687 /nfs/dbraw/zinc/39/46/87/289394687.db2.gz RVAWJYFJAKYUTL-CQSZACIVSA-N 1 3 311.474 0.468 20 30 DCEDHO C#CC[NH+]1CCC(C(=O)NCCN2CCN(CC)CC2)CC1 ZINC000490650144 339836614 /nfs/dbraw/zinc/83/66/14/339836614.db2.gz LCWGUSKHNYCEGM-UHFFFAOYSA-N 1 3 306.454 0.085 20 30 DCEDHO COC(=O)[C@@H](C)CN(C)CC#CC[N@H+](C)C[C@H](C)C(=O)OC ZINC000276297682 534210842 /nfs/dbraw/zinc/21/08/42/534210842.db2.gz JGYYQLWBTIVRFJ-KBPBESRZSA-N 1 3 312.410 0.472 20 30 DCEDHO COC(=O)[C@@H](C)CN(C)CC#CC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000276297682 534210845 /nfs/dbraw/zinc/21/08/45/534210845.db2.gz JGYYQLWBTIVRFJ-KBPBESRZSA-N 1 3 312.410 0.472 20 30 DCEDHO C[NH+]=C(NCC1(CO)CCOCC1)NC1CCN(C2CC2)CC1 ZINC000262034244 526350222 /nfs/dbraw/zinc/35/02/22/526350222.db2.gz SPZRARXKKXLWIF-UHFFFAOYSA-N 1 3 324.469 0.567 20 30 DCEDHO C[NH+]=C(NCCN1CCCN(C)CC1)NC[C@@H]1CCCS1 ZINC000261963387 526356100 /nfs/dbraw/zinc/35/61/00/526356100.db2.gz KUORGQAXRGXLMV-AWEZNQCLSA-N 1 3 313.515 0.685 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970717223 657824548 /nfs/dbraw/zinc/82/45/48/657824548.db2.gz LTFOEGIEURRRLP-CABCVRRESA-N 1 3 320.437 0.060 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891921764 657917677 /nfs/dbraw/zinc/91/76/77/657917677.db2.gz VDTHPPVHOAZXOF-UHFFFAOYSA-N 1 3 310.442 0.399 20 30 DCEDHO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968820 658104576 /nfs/dbraw/zinc/10/45/76/658104576.db2.gz IEVPDLMHHJRMKX-NDUQDZPOSA-N 1 3 319.449 0.958 20 30 DCEDHO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968820 658104582 /nfs/dbraw/zinc/10/45/82/658104582.db2.gz IEVPDLMHHJRMKX-NDUQDZPOSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705722 665619416 /nfs/dbraw/zinc/61/94/16/665619416.db2.gz HGCSZWUIPFXNRE-GJZGRUSLSA-N 1 3 307.438 0.958 20 30 DCEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022122206 658878417 /nfs/dbraw/zinc/87/84/17/658878417.db2.gz RAIVTHTYOWBEEX-XJFOESAGSA-N 1 3 313.829 0.839 20 30 DCEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022122206 658878421 /nfs/dbraw/zinc/87/84/21/658878421.db2.gz RAIVTHTYOWBEEX-XJFOESAGSA-N 1 3 313.829 0.839 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000977635291 659791766 /nfs/dbraw/zinc/79/17/66/659791766.db2.gz AJCFZGRWJNHIOM-HOCLYGCPSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000977635291 659791774 /nfs/dbraw/zinc/79/17/74/659791774.db2.gz AJCFZGRWJNHIOM-HOCLYGCPSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(CC#C)CC1 ZINC001028333177 661462144 /nfs/dbraw/zinc/46/21/44/661462144.db2.gz FHGKWGYKYXJVNW-QGZVFWFLSA-N 1 3 301.434 0.936 20 30 DCEDHO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(CC#C)CC1 ZINC001028333177 661462145 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C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419724861 416406542 /nfs/dbraw/zinc/40/65/42/416406542.db2.gz HQNZOKSUAKUINX-HNNXBMFYSA-N 1 3 324.469 0.633 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000491819308 416631720 /nfs/dbraw/zinc/63/17/20/416631720.db2.gz SVCJHLYVHPTRCV-OAHLLOKOSA-N 1 3 310.442 0.088 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000491819308 416631724 /nfs/dbraw/zinc/63/17/24/416631724.db2.gz SVCJHLYVHPTRCV-OAHLLOKOSA-N 1 3 310.442 0.088 20 30 DCEDHO CN1CCN(c2ccncc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000564572830 416892344 /nfs/dbraw/zinc/89/23/44/416892344.db2.gz VTEJJMHKHKTVNX-CYBMUJFWSA-N 1 3 316.409 0.793 20 30 DCEDHO C=CC[C@]1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCC[NH2+]1 ZINC000662756464 417891245 /nfs/dbraw/zinc/89/12/45/417891245.db2.gz HXOAJXOPWGXFPD-NVXWUHKLSA-N 1 3 308.470 0.827 20 30 DCEDHO C=CC[C@@]1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CCC[NH2+]1 ZINC000662758894 417894682 /nfs/dbraw/zinc/89/46/82/417894682.db2.gz 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315.421 0.082 20 30 DCEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834134 754967864 /nfs/dbraw/zinc/96/78/64/754967864.db2.gz ZVCOMEPLZCFEFL-QXSJWSMHSA-N 1 3 305.422 0.426 20 30 DCEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834134 754967866 /nfs/dbraw/zinc/96/78/66/754967866.db2.gz ZVCOMEPLZCFEFL-QXSJWSMHSA-N 1 3 305.422 0.426 20 30 DCEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943434 755032724 /nfs/dbraw/zinc/03/27/24/755032724.db2.gz DEBGMYFBZBITHR-OWQJAQGESA-N 1 3 317.433 0.426 20 30 DCEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943434 755032727 /nfs/dbraw/zinc/03/27/27/755032727.db2.gz DEBGMYFBZBITHR-OWQJAQGESA-N 1 3 317.433 0.426 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)CC1 ZINC001049921511 755448067 /nfs/dbraw/zinc/44/80/67/755448067.db2.gz WSMTXAJMSZIFJO-SJORKVTESA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCO)CC1 ZINC001049921511 755448070 /nfs/dbraw/zinc/44/80/70/755448070.db2.gz WSMTXAJMSZIFJO-SJORKVTESA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593063 756249680 /nfs/dbraw/zinc/24/96/80/756249680.db2.gz HIQJIMSKHVZTNF-GDBMZVCRSA-N 1 3 317.437 0.518 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@H]2OC)CC1 ZINC001082383169 757090376 /nfs/dbraw/zinc/09/03/76/757090376.db2.gz LFISCGVMCBZLKR-HZPDHXFCSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@H]2OC)CC1 ZINC001082383169 757090386 /nfs/dbraw/zinc/09/03/86/757090386.db2.gz LFISCGVMCBZLKR-HZPDHXFCSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001086277969 759944178 /nfs/dbraw/zinc/94/41/78/759944178.db2.gz BTIGVMSVTOQYQP-OFQRWUPVSA-N 1 3 307.438 0.197 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127514 761158980 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/nfs/dbraw/zinc/60/87/35/1016608735.db2.gz HFTIERRXVIZOEB-HNNXBMFYSA-N 1 3 315.421 0.867 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1OCC ZINC001479542468 1017580036 /nfs/dbraw/zinc/58/00/36/1017580036.db2.gz OLFGOHGIFQXSQR-OWCLPIDISA-N 1 3 309.454 0.803 20 30 DCEDHO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001500169315 1018268523 /nfs/dbraw/zinc/26/85/23/1018268523.db2.gz ITXKZNAFFUMLHL-MRXNPFEDSA-N 1 3 308.470 0.731 20 30 DCEDHO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001500169315 1018268534 /nfs/dbraw/zinc/26/85/34/1018268534.db2.gz ITXKZNAFFUMLHL-MRXNPFEDSA-N 1 3 308.470 0.731 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001495667352 1018636823 /nfs/dbraw/zinc/63/68/23/1018636823.db2.gz QJWMVXOGURQZFT-JKSUJKDBSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480624868 1018720467 /nfs/dbraw/zinc/72/04/67/1018720467.db2.gz WFTVQQCLDRANQQ-IRXDYDNUSA-N 1 3 321.465 0.947 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001493717492 1019659218 /nfs/dbraw/zinc/65/92/18/1019659218.db2.gz MZIZQUDYAAIXMX-INIZCTEOSA-N 1 3 309.454 0.949 20 30 DCEDHO COCCNC(=[NH2+])NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000264062281 533340103 /nfs/dbraw/zinc/34/01/03/533340103.db2.gz DBYVINIHLQMFTJ-UHFFFAOYSA-N 1 3 319.453 0.485 20 30 DCEDHO C=CCN1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630942595 397141273 /nfs/dbraw/zinc/14/12/73/397141273.db2.gz LIOYFAMYOBLOCL-UHFFFAOYSA-N 1 3 305.426 0.825 20 30 DCEDHO COCCNC(=[NH2+])NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190528336 416279934 /nfs/dbraw/zinc/27/99/34/416279934.db2.gz IKXNBLMMLACLOY-INIZCTEOSA-N 1 3 320.437 0.828 20 30 DCEDHO C=CC[C@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000662815436 417914601 /nfs/dbraw/zinc/91/46/01/417914601.db2.gz UFLPGNYBDMYDRR-GOEBONIOSA-N 1 3 318.425 0.599 20 30 DCEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000362080183 526599054 /nfs/dbraw/zinc/59/90/54/526599054.db2.gz RDAGRVYUHGXGRW-MRXNPFEDSA-N 1 3 306.454 0.533 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267469431 529071595 /nfs/dbraw/zinc/07/15/95/529071595.db2.gz XGTDXDBETGWDII-LLVKDONJSA-N 1 3 318.429 0.185 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674771907 1175298679 /nfs/dbraw/zinc/29/86/79/1175298679.db2.gz CLOWMXCENTWWOA-LSDHHAIUSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#CC)C[C@H]32)CC1 ZINC000979093258 660660259 /nfs/dbraw/zinc/66/02/59/660660259.db2.gz UVDODTHAVQXODY-NNZMDNLPSA-N 1 3 313.445 0.649 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#CC)C[C@H]32)CC1 ZINC000979093258 660660261 /nfs/dbraw/zinc/66/02/61/660660261.db2.gz UVDODTHAVQXODY-NNZMDNLPSA-N 1 3 313.445 0.649 20 30 DCEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036764 661092393 /nfs/dbraw/zinc/09/23/93/661092393.db2.gz GNCIOVAIUCRSSM-KRIMKBQASA-N 1 3 305.422 0.616 20 30 DCEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036764 661092397 /nfs/dbraw/zinc/09/23/97/661092397.db2.gz GNCIOVAIUCRSSM-KRIMKBQASA-N 1 3 305.422 0.616 20 30 DCEDHO C#CC1(O)CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000890524427 657574747 /nfs/dbraw/zinc/57/47/47/657574747.db2.gz AXCPPFRYLJHKQE-UHFFFAOYSA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891920836 657917949 /nfs/dbraw/zinc/91/79/49/657917949.db2.gz DTEJJFULIDTMDB-RYUDHWBXSA-N 1 3 320.359 0.720 20 30 DCEDHO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498913 659629017 /nfs/dbraw/zinc/62/90/17/659629017.db2.gz QIMYGYNQSWIXFF-BNQMIIOLSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498913 659629021 /nfs/dbraw/zinc/62/90/21/659629021.db2.gz QIMYGYNQSWIXFF-BNQMIIOLSA-N 1 3 319.449 0.958 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001033688977 666796853 /nfs/dbraw/zinc/79/68/53/666796853.db2.gz WBMCXEKDBWPKNR-NVXWUHKLSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001033688977 666796856 /nfs/dbraw/zinc/79/68/56/666796856.db2.gz WBMCXEKDBWPKNR-NVXWUHKLSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)CC1 ZINC001034538506 667065020 /nfs/dbraw/zinc/06/50/20/667065020.db2.gz NTXYVLKLUQIODJ-QGZVFWFLSA-N 1 3 321.465 0.685 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)CC1 ZINC001034538506 667065024 /nfs/dbraw/zinc/06/50/24/667065024.db2.gz NTXYVLKLUQIODJ-QGZVFWFLSA-N 1 3 321.465 0.685 20 30 DCEDHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1CC3(C1)CNC[C@H]3C#N)C2 ZINC000884442288 667546113 /nfs/dbraw/zinc/54/61/13/667546113.db2.gz AYNFAXBPVYBAOV-OEKQDRQZSA-N 1 3 302.422 0.584 20 30 DCEDHO C[NH+](C)CC1(O)CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000931483287 669211236 /nfs/dbraw/zinc/21/12/36/669211236.db2.gz FWVMMHRNTAIRDP-MRXNPFEDSA-N 1 3 303.406 0.980 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000854092674 670522780 /nfs/dbraw/zinc/52/27/80/670522780.db2.gz PVROLTFUOSLCQM-MRXNPFEDSA-N 1 3 324.469 0.694 20 30 DCEDHO C#CCNC(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000815077892 670714937 /nfs/dbraw/zinc/71/49/37/670714937.db2.gz HXVVRKZBCKGWSP-UHFFFAOYSA-N 1 3 320.481 0.616 20 30 DCEDHO CC(C)OCCN1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872426 671181577 /nfs/dbraw/zinc/18/15/77/671181577.db2.gz MBLHKWSKVJUZSB-UHFFFAOYSA-N 1 3 321.465 0.995 20 30 DCEDHO CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)N1CCCC1 ZINC000303895799 685208692 /nfs/dbraw/zinc/20/86/92/685208692.db2.gz PPWRSAKIXVFFLQ-OAHLLOKOSA-N 1 3 311.474 0.358 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C(C)C)C[C@H]2O)CC1 ZINC000958722878 687875834 /nfs/dbraw/zinc/87/58/34/687875834.db2.gz ARMGPMYGEYUSMZ-HZPDHXFCSA-N 1 3 307.438 0.149 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC000958722878 687875840 /nfs/dbraw/zinc/87/58/40/687875840.db2.gz ARMGPMYGEYUSMZ-HZPDHXFCSA-N 1 3 307.438 0.149 20 30 DCEDHO C=CCN1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC000958729878 687882766 /nfs/dbraw/zinc/88/27/66/687882766.db2.gz YZLJVMGIMVKFFU-NVXWUHKLSA-N 1 3 317.433 0.957 20 30 DCEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961284248 688587678 /nfs/dbraw/zinc/58/76/78/688587678.db2.gz RULDUEZWCPVUSO-GTHOZQOVSA-N 1 3 317.433 0.472 20 30 DCEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961284248 688587681 /nfs/dbraw/zinc/58/76/81/688587681.db2.gz RULDUEZWCPVUSO-GTHOZQOVSA-N 1 3 317.433 0.472 20 30 DCEDHO COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571487615 1162779303 /nfs/dbraw/zinc/77/93/03/1162779303.db2.gz UUUJYYHNAHZWEY-NVXWUHKLSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670474629 1157447694 /nfs/dbraw/zinc/44/76/94/1157447694.db2.gz HWRJTEDORMTMIE-BPLDGKMQSA-N 1 3 322.453 0.113 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001670474629 1157447696 /nfs/dbraw/zinc/44/76/96/1157447696.db2.gz HWRJTEDORMTMIE-BPLDGKMQSA-N 1 3 322.453 0.113 20 30 DCEDHO C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001691424302 1157671064 /nfs/dbraw/zinc/67/10/64/1157671064.db2.gz IBDDVNYJEHRHPP-GFCCVEGCSA-N 1 3 319.409 0.416 20 30 DCEDHO C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001691424302 1157671067 /nfs/dbraw/zinc/67/10/67/1157671067.db2.gz IBDDVNYJEHRHPP-GFCCVEGCSA-N 1 3 319.409 0.416 20 30 DCEDHO COCC#CCN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001755593001 1158186567 /nfs/dbraw/zinc/18/65/67/1158186567.db2.gz PJPJDIRUDNPAPB-INIZCTEOSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100905002 1158240312 /nfs/dbraw/zinc/24/03/12/1158240312.db2.gz RCGQKCWULKTYFF-WLYUNCDWSA-N 1 3 324.469 0.503 20 30 DCEDHO C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001567646740 1160447769 /nfs/dbraw/zinc/44/77/69/1160447769.db2.gz NSQMQZXOWUMIGC-OAHLLOKOSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001567646740 1160447778 /nfs/dbraw/zinc/44/77/78/1160447778.db2.gz NSQMQZXOWUMIGC-OAHLLOKOSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568274178 1160618056 /nfs/dbraw/zinc/61/80/56/1160618056.db2.gz SMJLMTSNNQEDAH-ZFWWWQNUSA-N 1 3 322.453 0.067 20 30 DCEDHO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCCCN1CC ZINC001568800654 1160778094 /nfs/dbraw/zinc/77/80/94/1160778094.db2.gz NPQMNBBSIJKOMG-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC001570285175 1161542887 /nfs/dbraw/zinc/54/28/87/1161542887.db2.gz AKJQFEQLOZZDGX-AEFFLSMTSA-N 1 3 321.465 0.827 20 30 DCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001574851218 1163772567 /nfs/dbraw/zinc/77/25/67/1163772567.db2.gz BPIJNFYUSQMGQF-GFCCVEGCSA-N 1 3 303.834 0.808 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001663014274 1174257138 /nfs/dbraw/zinc/25/71/38/1174257138.db2.gz QFTNUGCZAYNXSY-HZPDHXFCSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CC[NH2+]C1(CNC(=O)[C@H](F)CN(CC)CC)CCOCC1 ZINC001671934656 1175046047 /nfs/dbraw/zinc/04/60/47/1175046047.db2.gz CNILQYPOAYMAEY-CQSZACIVSA-N 1 3 313.417 0.555 20 30 DCEDHO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001676584410 1175464423 /nfs/dbraw/zinc/46/44/23/1175464423.db2.gz WOWWXGMTOJNNFS-CJNGLKHVSA-N 1 3 315.433 0.842 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001677018974 1175513356 /nfs/dbraw/zinc/51/33/56/1175513356.db2.gz NOLHKXMLSYCMBN-AWEZNQCLSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001677115913 1175530089 /nfs/dbraw/zinc/53/00/89/1175530089.db2.gz ATXVMVMXWAYLED-XJKSGUPXSA-N 1 3 315.433 0.794 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001691757272 1175654907 /nfs/dbraw/zinc/65/49/07/1175654907.db2.gz DMCVRXRBSHWUSY-IXDOHACOSA-N 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1178718191 /nfs/dbraw/zinc/71/81/91/1178718191.db2.gz SGKVDJGMCMWJHL-INIZCTEOSA-N 1 3 309.454 0.949 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001714093748 1181240507 /nfs/dbraw/zinc/24/05/07/1181240507.db2.gz QHPWEQASENQTFS-OAHLLOKOSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@@H]2CCOC2)CC1 ZINC001714572060 1181421784 /nfs/dbraw/zinc/42/17/84/1181421784.db2.gz IKUBXFGQKVHDRN-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@@H]2CCOC2)CC1 ZINC001714572060 1181421786 /nfs/dbraw/zinc/42/17/86/1181421786.db2.gz IKUBXFGQKVHDRN-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CC#CCOC)C2)CC[N@@H+]1C ZINC001714637391 1181456034 /nfs/dbraw/zinc/45/60/34/1181456034.db2.gz WVQFQHBBMFUWBY-YESZJQIVSA-N 1 3 321.465 0.805 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CC#CCOC)C2)CC[N@H+]1C ZINC001714637391 1181456037 /nfs/dbraw/zinc/45/60/37/1181456037.db2.gz WVQFQHBBMFUWBY-YESZJQIVSA-N 1 3 321.465 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C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193893024 773125842 /nfs/dbraw/zinc/12/58/42/773125842.db2.gz XGXJJBYKGVJLOW-BZUAXINKSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193893024 773125844 /nfs/dbraw/zinc/12/58/44/773125844.db2.gz XGXJJBYKGVJLOW-BZUAXINKSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217714 773686017 /nfs/dbraw/zinc/68/60/17/773686017.db2.gz LSJBYJLFWDPVQG-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210782897 773736105 /nfs/dbraw/zinc/73/61/05/773736105.db2.gz PQCSQUJWABHBTL-CQSZACIVSA-N 1 3 310.442 0.211 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458931 774074562 /nfs/dbraw/zinc/07/45/62/774074562.db2.gz QOHVXYJCVFOKRF-HZSPNIEDSA-N 1 3 310.442 0.065 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202358718 774640455 /nfs/dbraw/zinc/64/04/55/774640455.db2.gz DSRDNEMGIMDZTF-MRXNPFEDSA-N 1 3 324.469 0.455 20 30 DCEDHO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114409468 774846618 /nfs/dbraw/zinc/84/66/18/774846618.db2.gz LPENZRHVCHKNMZ-JJXSEGSLSA-N 1 3 307.438 0.576 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114409468 774846626 /nfs/dbraw/zinc/84/66/26/774846626.db2.gz LPENZRHVCHKNMZ-JJXSEGSLSA-N 1 3 307.438 0.576 20 30 DCEDHO C=CCCCCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771428 774911439 /nfs/dbraw/zinc/91/14/39/774911439.db2.gz SLVNZOUIEWCHNA-CVEARBPZSA-N 1 3 321.465 0.990 20 30 DCEDHO CC#CCN1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225020109 775631043 /nfs/dbraw/zinc/63/10/43/775631043.db2.gz OXDKGQFQNVCKJC-UHFFFAOYSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2cncc2c1 ZINC001114521421 775896538 /nfs/dbraw/zinc/89/65/38/775896538.db2.gz PPDOFYJCKOEUAO-FVQHAEBGSA-N 1 3 324.384 0.644 20 30 DCEDHO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2cncc2c1 ZINC001114521421 775896553 /nfs/dbraw/zinc/89/65/53/775896553.db2.gz PPDOFYJCKOEUAO-FVQHAEBGSA-N 1 3 324.384 0.644 20 30 DCEDHO COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114521421 775896568 /nfs/dbraw/zinc/89/65/68/775896568.db2.gz PPDOFYJCKOEUAO-FVQHAEBGSA-N 1 3 324.384 0.644 20 30 DCEDHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC)N(C)C ZINC001227057198 775918550 /nfs/dbraw/zinc/91/85/50/775918550.db2.gz QDMKTNLFBYVXGX-BZUAXINKSA-N 1 3 309.454 0.993 20 30 DCEDHO C#CCN1CC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041764316 777479566 /nfs/dbraw/zinc/47/95/66/777479566.db2.gz YEFORYIADALYIH-GOSISDBHSA-N 1 3 319.449 0.655 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266532883 939154221 /nfs/dbraw/zinc/15/42/21/939154221.db2.gz AZXCZBVLMGRGIM-HZPDHXFCSA-N 1 3 309.454 0.661 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001266993731 939300804 /nfs/dbraw/zinc/30/08/04/939300804.db2.gz DSYQPLSGMISDSP-HUUCEWRRSA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001267384598 939444032 /nfs/dbraw/zinc/44/40/32/939444032.db2.gz YIVBASOJIZNWCO-HNNXBMFYSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001268100590 939947313 /nfs/dbraw/zinc/94/73/13/939947313.db2.gz NPHRMWXNAJYLRX-LSDHHAIUSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001269493552 940719467 /nfs/dbraw/zinc/71/94/67/940719467.db2.gz YAQNZYQRKUYABC-KGLIPLIRSA-N 1 3 322.453 0.257 20 30 DCEDHO C#CCNC(=O)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001269592633 940738251 /nfs/dbraw/zinc/73/82/51/940738251.db2.gz WWWYVMKGZGVYTK-UHFFFAOYSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270345632 940884936 /nfs/dbraw/zinc/88/49/36/940884936.db2.gz ISWNXAOFHZBHNZ-JKSUJKDBSA-N 1 3 321.465 0.635 20 30 DCEDHO CC#CCN1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001270520484 940915996 /nfs/dbraw/zinc/91/59/96/940915996.db2.gz MTKIIHZYGMVUJD-MRXNPFEDSA-N 1 3 306.454 0.180 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271530602 941395694 /nfs/dbraw/zinc/39/56/94/941395694.db2.gz IZTHVLGUQMUJPG-UONOGXRCSA-N 1 3 304.394 0.429 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CC2CC(C)C2)CC1 ZINC001482800179 941674679 /nfs/dbraw/zinc/67/46/79/941674679.db2.gz UMFIQKFQMGTLOR-DQPZFDDXSA-N 1 3 321.465 0.444 20 30 DCEDHO C=C(C)CCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601782 942088417 /nfs/dbraw/zinc/08/84/17/942088417.db2.gz MZXWBKJATFFNBW-CABCVRRESA-N 1 3 307.438 0.742 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001483608673 942461203 /nfs/dbraw/zinc/46/12/03/942461203.db2.gz UPXPEBPUWFPZGX-WMLDXEAASA-N 1 3 321.465 0.851 20 30 DCEDHO C=C(C)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001484961018 943633224 /nfs/dbraw/zinc/63/32/24/943633224.db2.gz OSHPENLMDONAGG-OAHLLOKOSA-N 1 3 309.454 0.847 20 30 DCEDHO C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001484958193 943637675 /nfs/dbraw/zinc/63/76/75/943637675.db2.gz KEIFKYDIWUDAKN-OAHLLOKOSA-N 1 3 309.454 0.990 20 30 DCEDHO CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001276777568 944295005 /nfs/dbraw/zinc/29/50/05/944295005.db2.gz DREYXWSFFLPYDE-HOCLYGCPSA-N 1 3 307.438 0.700 20 30 DCEDHO C=CCOC(=O)[C@H](CCCC[NH3+])NC1C[C@@H]2COC[C@H](C1)N2 ZINC001246310253 945381308 /nfs/dbraw/zinc/38/13/08/945381308.db2.gz GRUNTDKKIKMXCG-DKUMPPAJSA-N 1 3 311.426 0.322 20 30 DCEDHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001318529387 945394514 /nfs/dbraw/zinc/39/45/14/945394514.db2.gz KZAWOHZRUOAUFU-HOTGVXAUSA-N 1 3 309.454 0.995 20 30 DCEDHO C=C[C@@](C)(O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252546774 945957575 /nfs/dbraw/zinc/95/75/75/945957575.db2.gz AUGGAJSLVYMETO-GOSISDBHSA-N 1 3 319.449 0.748 20 30 DCEDHO C=C[C@@](C)(O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252546774 945957580 /nfs/dbraw/zinc/95/75/80/945957580.db2.gz AUGGAJSLVYMETO-GOSISDBHSA-N 1 3 319.449 0.748 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001273261987 946343156 /nfs/dbraw/zinc/34/31/56/946343156.db2.gz ZXLKWPIXRSIUKP-HZPDHXFCSA-N 1 3 307.438 0.700 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779864 947903991 /nfs/dbraw/zinc/90/39/91/947903991.db2.gz ZUHYHCGEIWYZPH-IRXDYDNUSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001327777422 948623465 /nfs/dbraw/zinc/62/34/65/948623465.db2.gz FQXPVMRKRWVNCI-KFWWJZLASA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001264080700 948875643 /nfs/dbraw/zinc/87/56/43/948875643.db2.gz UKMBIAVURWLWMJ-HZPDHXFCSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001264080700 948875661 /nfs/dbraw/zinc/87/56/61/948875661.db2.gz UKMBIAVURWLWMJ-HZPDHXFCSA-N 1 3 309.454 0.635 20 30 DCEDHO CC#CCN(C)CCOCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001264666114 949059460 /nfs/dbraw/zinc/05/94/60/949059460.db2.gz DXVXVLCAVJLLFV-MRXNPFEDSA-N 1 3 309.454 0.758 20 30 DCEDHO CC#CCN(C)CCOCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001264666114 949059480 /nfs/dbraw/zinc/05/94/80/949059480.db2.gz DXVXVLCAVJLLFV-MRXNPFEDSA-N 1 3 309.454 0.758 20 30 DCEDHO COCC#CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001332413242 951636379 /nfs/dbraw/zinc/63/63/79/951636379.db2.gz MJCYDSPQCDUZHB-OAHLLOKOSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001332605122 951719037 /nfs/dbraw/zinc/71/90/37/951719037.db2.gz HCTBHDXPNXOALU-INIZCTEOSA-N 1 3 303.406 0.404 20 30 DCEDHO C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001274589638 951720891 /nfs/dbraw/zinc/72/08/91/951720891.db2.gz RSQWZKHPDSKZAO-OAHLLOKOSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275258894 952033352 /nfs/dbraw/zinc/03/33/52/952033352.db2.gz LQUXUYMCZLRIRM-KBPBESRZSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCO)CC1 ZINC001281969318 953435207 /nfs/dbraw/zinc/43/52/07/953435207.db2.gz UICGAKHSSROWCA-INIZCTEOSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCO)CC1 ZINC001281969318 953435214 /nfs/dbraw/zinc/43/52/14/953435214.db2.gz UICGAKHSSROWCA-INIZCTEOSA-N 1 3 307.438 0.247 20 30 DCEDHO N#CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC001345596943 953690950 /nfs/dbraw/zinc/69/09/50/953690950.db2.gz GKLGDABUOCSZMI-LBPRGKRZSA-N 1 3 303.366 0.335 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001345754164 953715240 /nfs/dbraw/zinc/71/52/40/953715240.db2.gz XRNOUSHXUFFMDE-SOUVJXGZSA-N 1 3 308.426 0.752 20 30 DCEDHO C=C(C)CN1CCC(NC(NCC2(O)CCOCC2)=[NH+]C)CC1 ZINC001347736609 954156974 /nfs/dbraw/zinc/15/69/74/954156974.db2.gz ZHRRMOMFEFSNNG-UHFFFAOYSA-N 1 3 324.469 0.733 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001491682507 959044196 /nfs/dbraw/zinc/04/41/96/959044196.db2.gz MBZCTSFZLWCIGB-LSDHHAIUSA-N 1 3 309.454 0.587 20 30 DCEDHO C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001491704555 959074827 /nfs/dbraw/zinc/07/48/27/959074827.db2.gz FMAXGKJCSXMIMU-HUUCEWRRSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001507428605 1016320939 /nfs/dbraw/zinc/32/09/39/1016320939.db2.gz SIPAFRSMXWRVJN-DOTOQJQBSA-N 1 3 321.465 0.589 20 30 DCEDHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445271423 1011600365 /nfs/dbraw/zinc/60/03/65/1011600365.db2.gz RBUCIGVGPCFLAV-INIZCTEOSA-N 1 3 318.421 0.465 20 30 DCEDHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057219 1018193707 /nfs/dbraw/zinc/19/37/07/1018193707.db2.gz DNTKYGFFKCXQKT-HNNXBMFYSA-N 1 3 309.454 0.634 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206342 1019163153 /nfs/dbraw/zinc/16/31/53/1019163153.db2.gz IIJFEPNLEXXLNL-KBPBESRZSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206344 1019163495 /nfs/dbraw/zinc/16/34/95/1019163495.db2.gz IIJFEPNLEXXLNL-UONOGXRCSA-N 1 3 322.453 0.209 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001502060061 1019672289 /nfs/dbraw/zinc/67/22/89/1019672289.db2.gz GZVPFZDNBBVYFX-MRXNPFEDSA-N 1 3 319.449 0.703 20 30 DCEDHO CN(C)C(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000178567277 237229948 /nfs/dbraw/zinc/22/99/48/237229948.db2.gz WSZRPOKEVZSDEN-HNNXBMFYSA-N 1 3 317.437 0.760 20 30 DCEDHO CCc1nn(C)c(OC)c1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000092854345 395733566 /nfs/dbraw/zinc/73/35/66/395733566.db2.gz YKTSXPZRRCGJGZ-GFCCVEGCSA-N 1 3 322.457 0.880 20 30 DCEDHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C#N ZINC000261604365 396048897 /nfs/dbraw/zinc/04/88/97/396048897.db2.gz ADFFKYJNMZESCK-OAHLLOKOSA-N 1 3 316.405 0.854 20 30 DCEDHO CC(C)(C#N)C[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721454 397284752 /nfs/dbraw/zinc/28/47/52/397284752.db2.gz VMTONIIXBWFBQL-ZIAGYGMSSA-N 1 3 310.442 0.464 20 30 DCEDHO CC(C)(C#N)C[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721454 397284758 /nfs/dbraw/zinc/28/47/58/397284758.db2.gz VMTONIIXBWFBQL-ZIAGYGMSSA-N 1 3 310.442 0.464 20 30 DCEDHO C=C(CNC(=O)CN(C)C(C)C)CNC(=O)C[N@H+](C)C(C)C ZINC000620747858 397300330 /nfs/dbraw/zinc/30/03/30/397300330.db2.gz HPBFDQXCJCYTLA-UHFFFAOYSA-N 1 3 312.458 0.455 20 30 DCEDHO C=C(CNC(=O)CN(C)C(C)C)CNC(=O)C[N@@H+](C)C(C)C ZINC000620747858 397300335 /nfs/dbraw/zinc/30/03/35/397300335.db2.gz HPBFDQXCJCYTLA-UHFFFAOYSA-N 1 3 312.458 0.455 20 30 DCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000491407582 416598135 /nfs/dbraw/zinc/59/81/35/416598135.db2.gz RTKMPOIRTPVQIH-CYBMUJFWSA-N 1 3 316.405 0.716 20 30 DCEDHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424142777 416615959 /nfs/dbraw/zinc/61/59/59/416615959.db2.gz FFASHCGSRDIXDH-AWEZNQCLSA-N 1 3 323.441 0.020 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000626970593 417189136 /nfs/dbraw/zinc/18/91/36/417189136.db2.gz QCCKAVNHCZXPHW-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652349560 417887909 /nfs/dbraw/zinc/88/79/09/417887909.db2.gz SNMPVNRBVGYLMF-VGWMRTNUSA-N 1 3 307.438 0.992 20 30 DCEDHO C=CCCn1cc(CNCCCC[NH+]2CCN(C)CC2)nn1 ZINC000657307740 417845610 /nfs/dbraw/zinc/84/56/10/417845610.db2.gz IRUMSPIVZMIHAV-UHFFFAOYSA-N 1 3 306.458 0.971 20 30 DCEDHO C[C@@]12COC[C@@H]1C[N@@H+](CC#CCN1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357277 /nfs/dbraw/zinc/35/72/77/418357277.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 1 3 304.434 0.926 20 30 DCEDHO C[C@@]12COC[C@@H]1C[N@H+](CC#CCN1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357280 /nfs/dbraw/zinc/35/72/80/418357280.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 1 3 304.434 0.926 20 30 DCEDHO C[C@@]12COC[C@@H]1CN(CC#CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357282 /nfs/dbraw/zinc/35/72/82/418357282.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 1 3 304.434 0.926 20 30 DCEDHO C[C@@]12COC[C@@H]1CN(CC#CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357284 /nfs/dbraw/zinc/35/72/84/418357284.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 1 3 304.434 0.926 20 30 DCEDHO C#CCN1CCC(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)CC1 ZINC000490901194 332902893 /nfs/dbraw/zinc/90/28/93/332902893.db2.gz ZLTLRURLVLXHSI-HUUCEWRRSA-N 1 3 309.479 0.836 20 30 DCEDHO C=CCN1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563074873 333331964 /nfs/dbraw/zinc/33/19/64/333331964.db2.gz SERNQZWLVQJJCB-UHFFFAOYSA-N 1 3 306.414 0.397 20 30 DCEDHO C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001566133147 1159969583 /nfs/dbraw/zinc/96/95/83/1159969583.db2.gz ZDUOHAYMQFAHJG-INIZCTEOSA-N 1 3 309.454 0.942 20 30 DCEDHO C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001566133147 1159969587 /nfs/dbraw/zinc/96/95/87/1159969587.db2.gz ZDUOHAYMQFAHJG-INIZCTEOSA-N 1 3 309.454 0.942 20 30 DCEDHO CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262291686 527383212 /nfs/dbraw/zinc/38/32/12/527383212.db2.gz LLJZFVSIYPRUGH-OAHLLOKOSA-N 1 3 323.485 0.989 20 30 DCEDHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1)N(C)C ZINC001672895989 1175159995 /nfs/dbraw/zinc/15/99/95/1175159995.db2.gz ADALNDQNYMKFMM-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(C(C)=O)CC1 ZINC000178568287 661320388 /nfs/dbraw/zinc/32/03/88/661320388.db2.gz ASJYTXWLRCLTIR-OAHLLOKOSA-N 1 3 309.458 0.634 20 30 DCEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028036821 661093636 /nfs/dbraw/zinc/09/36/36/661093636.db2.gz IAACDTXKKKRTHO-BNQMIIOLSA-N 1 3 317.433 0.454 20 30 DCEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028036821 661093638 /nfs/dbraw/zinc/09/36/38/661093638.db2.gz IAACDTXKKKRTHO-BNQMIIOLSA-N 1 3 317.433 0.454 20 30 DCEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000969403398 657812231 /nfs/dbraw/zinc/81/22/31/657812231.db2.gz HVBHDJMEGLDLJL-DGNOSDGRSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]C[C@H](C)O)CC2)CC1 ZINC001026609257 659413122 /nfs/dbraw/zinc/41/31/22/659413122.db2.gz DAYXFBXKYUBNCX-OOHWJJMZSA-N 1 3 321.465 0.729 20 30 DCEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046864 665730087 /nfs/dbraw/zinc/73/00/87/665730087.db2.gz WREPQAYWMVUXGF-DZGCQCFKSA-N 1 3 318.425 0.279 20 30 DCEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046864 665730088 /nfs/dbraw/zinc/73/00/88/665730088.db2.gz WREPQAYWMVUXGF-DZGCQCFKSA-N 1 3 318.425 0.279 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCN(C(C)=O)CC1 ZINC000178568299 661320320 /nfs/dbraw/zinc/32/03/20/661320320.db2.gz ASJYTXWLRCLTIR-HNNXBMFYSA-N 1 3 309.458 0.634 20 30 DCEDHO 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C#CCN1CCC(C(=O)NCC[NH2+]C[C@H]2CCCOC2)CC1 ZINC001152334568 773739777 /nfs/dbraw/zinc/73/97/77/773739777.db2.gz IESVNLAKCLSBPI-OAHLLOKOSA-N 1 3 307.438 0.464 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904747 774024515 /nfs/dbraw/zinc/02/45/15/774024515.db2.gz ICYURLYGRKCMML-OAGGEKHMSA-N 1 3 309.454 0.659 20 30 DCEDHO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CCNC2 ZINC001218552062 774244742 /nfs/dbraw/zinc/24/47/42/774244742.db2.gz BSFFUVHVZXURLT-SNVBAGLBSA-N 1 3 322.390 0.484 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200549227 774365972 /nfs/dbraw/zinc/36/59/72/774365972.db2.gz ZVUXPGGCHHDMKA-OWCLPIDISA-N 1 3 307.438 0.557 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200549227 774365983 /nfs/dbraw/zinc/36/59/83/774365983.db2.gz ZVUXPGGCHHDMKA-OWCLPIDISA-N 1 3 307.438 0.557 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CCCO1 ZINC001200636320 774382217 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BKWKFKUHRAATBP-JKSUJKDBSA-N 1 3 307.438 0.198 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001271152195 941292027 /nfs/dbraw/zinc/29/20/27/941292027.db2.gz KFEQIQCCEKAMEX-RDJZCZTQSA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001271152195 941292029 /nfs/dbraw/zinc/29/20/29/941292029.db2.gz KFEQIQCCEKAMEX-RDJZCZTQSA-N 1 3 307.438 0.437 20 30 DCEDHO C=CCC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001271175457 941313292 /nfs/dbraw/zinc/31/32/92/941313292.db2.gz PBFTXBPYJMWCNX-KRWDZBQOSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001271175457 941313296 /nfs/dbraw/zinc/31/32/96/941313296.db2.gz PBFTXBPYJMWCNX-KRWDZBQOSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=C)C)C2)CC1 ZINC001271229904 941329843 /nfs/dbraw/zinc/32/98/43/941329843.db2.gz ZFXOQKSNMCMLIF-SFHVURJKSA-N 1 3 319.449 0.461 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC(=C)C)C2)CC1 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DCEDHO CC[C@H](C(=O)NC1CCC([NH2+]CC#CCOC)CC1)N(C)C ZINC001491356056 943936282 /nfs/dbraw/zinc/93/62/82/943936282.db2.gz LLFHXIOOZIYJAO-UYSNPLJNSA-N 1 3 309.454 0.993 20 30 DCEDHO C=CCN1CC[C@H](N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001317266613 944888598 /nfs/dbraw/zinc/88/85/98/944888598.db2.gz SQYDFAJSVAOYJY-ZFWWWQNUSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001318974570 945472967 /nfs/dbraw/zinc/47/29/67/945472967.db2.gz FCDDANIAUOSWAX-KKUMJFAQSA-N 1 3 322.453 0.093 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179475972 947849730 /nfs/dbraw/zinc/84/97/30/947849730.db2.gz FOZBMWLGYZSOBR-ZFWWWQNUSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485850 947852087 /nfs/dbraw/zinc/85/20/87/947852087.db2.gz BKTWUEBKDZADEZ-IHRRRGAJSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN(C)CCC)C2)C1=O ZINC001265505108 949732990 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C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383177 964865669 /nfs/dbraw/zinc/86/56/69/964865669.db2.gz MOJNEXHNYHNZLU-CVEARBPZSA-N 1 3 316.405 0.077 20 30 DCEDHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383177 964865677 /nfs/dbraw/zinc/86/56/77/964865677.db2.gz MOJNEXHNYHNZLU-CVEARBPZSA-N 1 3 316.405 0.077 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001527865178 1015555059 /nfs/dbraw/zinc/55/50/59/1015555059.db2.gz QPKWQIOQINMCAG-CVEARBPZSA-N 1 3 321.469 0.019 20 30 DCEDHO C=C(C)CN1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001505387269 1016202569 /nfs/dbraw/zinc/20/25/69/1016202569.db2.gz JDHQAHWTPOKVSN-UHFFFAOYSA-N 1 3 309.454 0.847 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829491 1017840380 /nfs/dbraw/zinc/84/03/80/1017840380.db2.gz NLICFTNHEFQJGU-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829489 1017843577 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C#CCN1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603961 772396373 /nfs/dbraw/zinc/39/63/73/772396373.db2.gz FEOMNYXJUYICDE-HNNXBMFYSA-N 1 3 307.438 0.416 20 30 DCEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148862 772590250 /nfs/dbraw/zinc/59/02/50/772590250.db2.gz KRBHIWQFTMHQQB-HRCADAONSA-N 1 3 307.438 0.673 20 30 DCEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148862 772590254 /nfs/dbraw/zinc/59/02/54/772590254.db2.gz KRBHIWQFTMHQQB-HRCADAONSA-N 1 3 307.438 0.673 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677722 772839491 /nfs/dbraw/zinc/83/94/91/772839491.db2.gz MATHZMNGVFYDSE-KGLIPLIRSA-N 1 3 310.442 0.115 20 30 DCEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205344190 772988356 /nfs/dbraw/zinc/98/83/56/772988356.db2.gz CKGZOKAJHLQXER-HZPDHXFCSA-N 1 3 307.438 0.864 20 30 DCEDHO C#CC[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001205345596 772988366 /nfs/dbraw/zinc/98/83/66/772988366.db2.gz RYNICBLRCSFSRD-JKSUJKDBSA-N 1 3 305.422 0.311 20 30 DCEDHO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001207550792 773234742 /nfs/dbraw/zinc/23/47/42/773234742.db2.gz JNADRDRVSYVXOM-BMFZPTHFSA-N 1 3 309.454 0.966 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001207550792 773234744 /nfs/dbraw/zinc/23/47/44/773234744.db2.gz JNADRDRVSYVXOM-BMFZPTHFSA-N 1 3 309.454 0.966 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453699 774073499 /nfs/dbraw/zinc/07/34/99/774073499.db2.gz OGNSZQLYRIWKHC-UKRRQHHQSA-N 1 3 322.453 0.067 20 30 DCEDHO N#Cc1c(NC(=O)CCCCNC(N)=[NH2+])sc2c1CCNC2 ZINC001218551983 774245286 /nfs/dbraw/zinc/24/52/86/774245286.db2.gz BGENXAIGDOWJCE-UHFFFAOYSA-N 1 3 320.422 0.857 20 30 DCEDHO COC(=O)c1scc(C#N)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218606034 774261069 /nfs/dbraw/zinc/26/10/69/774261069.db2.gz ZABSOYZQVYWYNQ-VIFPVBQESA-N 1 3 310.379 0.801 20 30 DCEDHO N#Cc1c(F)ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1F ZINC001218913088 774325125 /nfs/dbraw/zinc/32/51/25/774325125.db2.gz IGXMNEGFRYROBD-RFAUZJTJSA-N 1 3 306.316 0.974 20 30 DCEDHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001201320929 774487358 /nfs/dbraw/zinc/48/73/58/774487358.db2.gz BYBBNLLXILHUIW-UHFFFAOYSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@@H](C)OC)CC1 ZINC001267832169 939691679 /nfs/dbraw/zinc/69/16/79/939691679.db2.gz YFXIYVGAIHHIRA-GDBMZVCRSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001481522297 939913832 /nfs/dbraw/zinc/91/38/32/939913832.db2.gz DKYZNUKUKSHKFJ-QLFBSQMISA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001268269752 940012875 /nfs/dbraw/zinc/01/28/75/940012875.db2.gz VQJJSASEMHXEBA-GJZGRUSLSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001269972889 940807994 /nfs/dbraw/zinc/80/79/94/940807994.db2.gz PSRZWNJVWOCEIE-OLZOCXBDSA-N 1 3 319.409 0.224 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC#CCOC)CC[N@@H+]1C ZINC001482289571 940902749 /nfs/dbraw/zinc/90/27/49/940902749.db2.gz UUEYNDXPCQVSGE-HRCADAONSA-N 1 3 309.454 0.803 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC#CCOC)CC[N@H+]1C ZINC001482289571 940902753 /nfs/dbraw/zinc/90/27/53/940902753.db2.gz UUEYNDXPCQVSGE-HRCADAONSA-N 1 3 309.454 0.803 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293997 942245561 /nfs/dbraw/zinc/24/55/61/942245561.db2.gz PWHRWDHGOQAEAH-LSDHHAIUSA-N 1 3 324.469 0.457 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483293997 942245567 /nfs/dbraw/zinc/24/55/67/942245567.db2.gz PWHRWDHGOQAEAH-LSDHHAIUSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001484876554 943608886 /nfs/dbraw/zinc/60/88/86/943608886.db2.gz FQXPVMRKRWVNCI-RBSFLKMASA-N 1 3 324.469 0.598 20 30 DCEDHO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CN1CCOCC1 ZINC001491235618 943854926 /nfs/dbraw/zinc/85/49/26/943854926.db2.gz FBEXJWRMJWBGHV-IAGOWNOFSA-N 1 3 321.465 0.949 20 30 DCEDHO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CN1CCOCC1 ZINC001491235618 943854932 /nfs/dbraw/zinc/85/49/32/943854932.db2.gz FBEXJWRMJWBGHV-IAGOWNOFSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001485883166 944378640 /nfs/dbraw/zinc/37/86/40/944378640.db2.gz ZUMYATIEOMGMDT-KGLIPLIRSA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027950 946749948 /nfs/dbraw/zinc/74/99/48/946749948.db2.gz KMMGHLLRRLTCMU-KBPBESRZSA-N 1 3 324.469 0.361 20 30 DCEDHO C=CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027950 946749957 /nfs/dbraw/zinc/74/99/57/946749957.db2.gz KMMGHLLRRLTCMU-KBPBESRZSA-N 1 3 324.469 0.361 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485852 947851067 /nfs/dbraw/zinc/85/10/67/947851067.db2.gz BKTWUEBKDZADEZ-RDBSUJKOSA-N 1 3 310.442 0.208 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)C12CCC[NH+]1CCC2 ZINC001273483327 947921135 /nfs/dbraw/zinc/92/11/35/947921135.db2.gz IJVWZMVPFZIHKL-UHFFFAOYSA-N 1 3 307.438 0.703 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987941 948353001 /nfs/dbraw/zinc/35/30/01/948353001.db2.gz HIKULWDZCQCWFD-SJORKVTESA-N 1 3 319.449 0.844 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987941 948353009 /nfs/dbraw/zinc/35/30/09/948353009.db2.gz HIKULWDZCQCWFD-SJORKVTESA-N 1 3 319.449 0.844 20 30 DCEDHO CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001273877498 948648801 /nfs/dbraw/zinc/64/88/01/948648801.db2.gz VYYHCINAMNMLEF-WMZOPIPTSA-N 1 3 319.449 0.295 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001264492468 948986055 /nfs/dbraw/zinc/98/60/55/948986055.db2.gz RZFCULUSIPBTHK-JKSUJKDBSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001265318864 949601176 /nfs/dbraw/zinc/60/11/76/949601176.db2.gz FGDUUXTUZBMTFZ-MRXNPFEDSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCOC)C2)CC1 ZINC001265318864 949601192 /nfs/dbraw/zinc/60/11/92/949601192.db2.gz FGDUUXTUZBMTFZ-MRXNPFEDSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281459096 951507422 /nfs/dbraw/zinc/50/74/22/951507422.db2.gz SYZGEWNGVHSJOH-KBPBESRZSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001281459096 951507428 /nfs/dbraw/zinc/50/74/28/951507428.db2.gz SYZGEWNGVHSJOH-KBPBESRZSA-N 1 3 310.442 0.067 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001332341507 951596793 /nfs/dbraw/zinc/59/67/93/951596793.db2.gz PYEQCXFMYODUJU-JKSUJKDBSA-N 1 3 309.454 0.851 20 30 DCEDHO C=C[C@@](C)(O)C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001274615847 951742546 /nfs/dbraw/zinc/74/25/46/951742546.db2.gz WZHRGNOZAFXHCM-IAGOWNOFSA-N 1 3 309.454 0.942 20 30 DCEDHO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001274615847 951742551 /nfs/dbraw/zinc/74/25/51/951742551.db2.gz WZHRGNOZAFXHCM-IAGOWNOFSA-N 1 3 309.454 0.942 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCO)C2)CC1 ZINC001284243566 954956331 /nfs/dbraw/zinc/95/63/31/954956331.db2.gz HMNWOBAEVVIHQK-ZBFHGGJFSA-N 1 3 307.438 0.198 20 30 DCEDHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCC#CCOC)CC2)C1 ZINC001499324749 1017852227 /nfs/dbraw/zinc/85/22/27/1017852227.db2.gz NDJJDTLFSBFOEF-INIZCTEOSA-N 1 3 321.465 0.997 20 30 DCEDHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCC#CCOC)CC2)C1 ZINC001499324749 1017852247 /nfs/dbraw/zinc/85/22/47/1017852247.db2.gz NDJJDTLFSBFOEF-INIZCTEOSA-N 1 3 321.465 0.997 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001499954900 1018150252 /nfs/dbraw/zinc/15/02/52/1018150252.db2.gz JQBOCNOBGYMJOM-AWEZNQCLSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCN1CC[C@H](NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001497894761 1018503368 /nfs/dbraw/zinc/50/33/68/1018503368.db2.gz GQAQCKLUQIGABW-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001480538070 1018638317 /nfs/dbraw/zinc/63/83/17/1018638317.db2.gz STZITNYTMWKZQJ-KBPBESRZSA-N 1 3 324.469 0.197 20 30 DCEDHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1 ZINC001501240007 1018977308 /nfs/dbraw/zinc/97/73/08/1018977308.db2.gz CYWKNOXTOLXEJQ-IYBDPMFKSA-N 1 3 307.438 0.368 20 30 DCEDHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2C1 ZINC001501240007 1018977312 /nfs/dbraw/zinc/97/73/12/1018977312.db2.gz CYWKNOXTOLXEJQ-IYBDPMFKSA-N 1 3 307.438 0.368 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2CCC)CCO1 ZINC001502056308 1019667876 /nfs/dbraw/zinc/66/78/76/1019667876.db2.gz URRMCYFNYFZQRL-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO COCCNC(=[NH2+])NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000180446954 237257744 /nfs/dbraw/zinc/25/77/44/237257744.db2.gz IHRDITBXTKUISC-OAHLLOKOSA-N 1 3 306.410 0.304 20 30 DCEDHO C[C@@H]1C[NH+]=C(NCc2cccc(C(=O)NCCN(C)C)c2)N1 ZINC000262644690 238177991 /nfs/dbraw/zinc/17/79/91/238177991.db2.gz IUFPKBHIBNEZGK-GFCCVEGCSA-N 1 3 303.410 0.415 20 30 DCEDHO C=CCN1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279067387 396151135 /nfs/dbraw/zinc/15/11/35/396151135.db2.gz TUFWQYLNAQBVEY-LBPRGKRZSA-N 1 3 303.410 0.867 20 30 DCEDHO C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344009543 415817737 /nfs/dbraw/zinc/81/77/37/415817737.db2.gz AZQRSGNRGCNXQR-OAHLLOKOSA-N 1 3 323.485 0.753 20 30 DCEDHO C[C@@H](C(=O)N(C)CCC#N)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126410904 415873499 /nfs/dbraw/zinc/87/34/99/415873499.db2.gz QHNGNGXTBOMNQE-HNNXBMFYSA-N 1 3 323.485 0.705 20 30 DCEDHO C[NH+]=C(NCCn1ccnc1C)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000261769851 416335514 /nfs/dbraw/zinc/33/55/14/416335514.db2.gz NWWNTBJMRNYLDC-WFASDCNBSA-N 1 3 304.442 0.839 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000283750857 526416714 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C#CCN1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028546392 661605025 /nfs/dbraw/zinc/60/50/25/661605025.db2.gz UGFGPISUQZREDJ-CQSZACIVSA-N 1 3 303.410 0.130 20 30 DCEDHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698227 661764825 /nfs/dbraw/zinc/76/48/25/661764825.db2.gz DLHAUUHKUYBMRE-JBCIKUTRSA-N 1 3 319.449 0.864 20 30 DCEDHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698227 661764826 /nfs/dbraw/zinc/76/48/26/661764826.db2.gz DLHAUUHKUYBMRE-JBCIKUTRSA-N 1 3 319.449 0.864 20 30 DCEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000985443374 662449229 /nfs/dbraw/zinc/44/92/29/662449229.db2.gz USBDMGUSJAQQGT-JKSUJKDBSA-N 1 3 307.438 0.958 20 30 DCEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000985443374 662449230 /nfs/dbraw/zinc/44/92/30/662449230.db2.gz USBDMGUSJAQQGT-JKSUJKDBSA-N 1 3 307.438 0.958 20 30 DCEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000985443370 662449338 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C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccnn2C)CC1 ZINC001699387606 1178114484 /nfs/dbraw/zinc/11/44/84/1178114484.db2.gz CIIFWTXCBXZXDR-CQSZACIVSA-N 1 3 317.437 0.360 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001699855098 1178318561 /nfs/dbraw/zinc/31/85/61/1178318561.db2.gz ZKOYYNFADSGVMX-WMLDXEAASA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCNCCN(CCO)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001700044688 1178458583 /nfs/dbraw/zinc/45/85/83/1178458583.db2.gz SWLXMFHILYTTRL-INIZCTEOSA-N 1 3 309.454 0.541 20 30 DCEDHO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2CCN(CC#C)CC2)CCO1 ZINC001700611942 1178680625 /nfs/dbraw/zinc/68/06/25/1178680625.db2.gz SNMGPFDZGGVYEV-NVXWUHKLSA-N 1 3 317.433 0.170 20 30 DCEDHO C=CCNC(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001713118800 1180688679 /nfs/dbraw/zinc/68/86/79/1180688679.db2.gz YFECIFFOTYQEQR-OAHLLOKOSA-N 1 3 322.453 0.115 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001713150619 1180698129 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CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1 ZINC001481504106 939905211 /nfs/dbraw/zinc/90/52/11/939905211.db2.gz KVWRVTHBHRFCIQ-INIZCTEOSA-N 1 3 309.454 0.758 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268094433 939944320 /nfs/dbraw/zinc/94/43/20/939944320.db2.gz OHFBSCRKFRLMSI-ZIAGYGMSSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268094433 939944324 /nfs/dbraw/zinc/94/43/24/939944324.db2.gz OHFBSCRKFRLMSI-ZIAGYGMSSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001269972891 940808277 /nfs/dbraw/zinc/80/82/77/940808277.db2.gz PSRZWNJVWOCEIE-STQMWFEESA-N 1 3 319.409 0.224 20 30 DCEDHO C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCN(CCOC)CC1 ZINC001270358373 940887066 /nfs/dbraw/zinc/88/70/66/940887066.db2.gz HHFRQFSKEKDDHI-MRXNPFEDSA-N 1 3 321.465 0.901 20 30 DCEDHO C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CCOC)CC1 ZINC001270358373 940887068 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SLEVBCGMTUMSEZ-UHFFFAOYSA-N 1 3 321.465 0.829 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282888382 953721388 /nfs/dbraw/zinc/72/13/88/953721388.db2.gz KMFGEEVYEIIEID-NXOAAHMSSA-N 1 3 321.465 0.516 20 30 DCEDHO N#CC[C@]1(O)CCN(CCCC[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001349107857 954601737 /nfs/dbraw/zinc/60/17/37/954601737.db2.gz GNABEEIMNYSYEM-HOTGVXAUSA-N 1 3 306.410 0.468 20 30 DCEDHO N#CC[C@]1(O)CCN(CCCC[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001349107857 954601743 /nfs/dbraw/zinc/60/17/43/954601743.db2.gz GNABEEIMNYSYEM-HOTGVXAUSA-N 1 3 306.410 0.468 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001284336838 955018514 /nfs/dbraw/zinc/01/85/14/955018514.db2.gz WBKSYKWMIMTSHG-KGLIPLIRSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001491682247 959045475 /nfs/dbraw/zinc/04/54/75/959045475.db2.gz JHIPIUZZYZLDPE-WBVHZDCISA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCC[C@@H](NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001527865187 1015554764 /nfs/dbraw/zinc/55/47/64/1015554764.db2.gz QPKWQIOQINMCAG-HZPDHXFCSA-N 1 3 321.469 0.019 20 30 DCEDHO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001507503448 1016428307 /nfs/dbraw/zinc/42/83/07/1016428307.db2.gz CBQNNZCPFFXBGV-CJNGLKHVSA-N 1 3 313.417 0.241 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCOCC)CC1 ZINC001505762164 1016531656 /nfs/dbraw/zinc/53/16/56/1016531656.db2.gz YKHAIADMPAFFFR-HUUCEWRRSA-N 1 3 309.454 0.851 20 30 DCEDHO CN(C)CC#CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC001563751213 1012511214 /nfs/dbraw/zinc/51/12/14/1012511214.db2.gz JJHQQKNRQVEYSH-UHFFFAOYSA-N 1 3 302.422 0.983 20 30 DCEDHO CN(C)CC#CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC001563751213 1012511228 /nfs/dbraw/zinc/51/12/28/1012511228.db2.gz JJHQQKNRQVEYSH-UHFFFAOYSA-N 1 3 302.422 0.983 20 30 DCEDHO COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480080890 1018190162 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KHBJXHPCSDVAAC-ZIAGYGMSSA-N 1 3 310.442 0.115 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790771 764014434 /nfs/dbraw/zinc/01/44/34/764014434.db2.gz VKICSDKHSXJSJM-DZGCQCFKSA-N 1 3 322.453 0.257 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040409 764798188 /nfs/dbraw/zinc/79/81/88/764798188.db2.gz PVQKNFNZVVIOFB-UHFFFAOYSA-N 1 3 312.458 0.459 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850093 765183352 /nfs/dbraw/zinc/18/33/52/765183352.db2.gz IXHABWJXBYNKTH-HNNXBMFYSA-N 1 3 322.453 0.235 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850093 765183356 /nfs/dbraw/zinc/18/33/56/765183356.db2.gz IXHABWJXBYNKTH-HNNXBMFYSA-N 1 3 322.453 0.235 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC)C[C@H]32)CC1 ZINC001115290429 765676905 /nfs/dbraw/zinc/67/69/05/765676905.db2.gz SRQTVFBJKZLUGG-FVQHAEBGSA-N 1 3 319.449 0.415 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC)C[C@H]32)CC1 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ZINC001185610123 771935357 /nfs/dbraw/zinc/93/53/57/771935357.db2.gz ROVJIWSSHRZIGG-CVEARBPZSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CC[NH2+]CC1(CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001166249042 772795965 /nfs/dbraw/zinc/79/59/65/772795965.db2.gz BARAJOWAHVDTJP-SWKXRBFHSA-N 1 3 317.433 0.359 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CC[C@H](C)C2)C1=O ZINC001166677125 772838222 /nfs/dbraw/zinc/83/82/22/772838222.db2.gz FVXYCLKVEVXFLX-LSDHHAIUSA-N 1 3 322.453 0.211 20 30 DCEDHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001206890417 773122119 /nfs/dbraw/zinc/12/21/19/773122119.db2.gz QOMOXQYQYNPUDO-UHFFFAOYSA-N 1 3 309.454 0.806 20 30 DCEDHO C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CC[NH2+]C[C@H]1O ZINC001218553119 774246319 /nfs/dbraw/zinc/24/63/19/774246319.db2.gz NIUQZNOSLDEKJU-IUODEOHRSA-N 1 3 320.418 0.564 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCCO1 ZINC001200479217 774360646 /nfs/dbraw/zinc/36/06/46/774360646.db2.gz OOHHRFJNTSYSCY-HOTGVXAUSA-N 1 3 307.438 0.700 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149636 774455073 /nfs/dbraw/zinc/45/50/73/774455073.db2.gz DSRDNEMGIMDZTF-INIZCTEOSA-N 1 3 324.469 0.455 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246299 774470959 /nfs/dbraw/zinc/47/09/59/774470959.db2.gz RCRPGYOPZOXDCW-YESZJQIVSA-N 1 3 321.465 0.947 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246299 774470961 /nfs/dbraw/zinc/47/09/61/774470961.db2.gz RCRPGYOPZOXDCW-YESZJQIVSA-N 1 3 321.465 0.947 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCCO1 ZINC001201405074 774502049 /nfs/dbraw/zinc/50/20/49/774502049.db2.gz ZUYVKXQKCXOLOJ-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO N#Cc1cccc(C[C@H](N)C(=O)NC[C@]2(F)CCC[NH2+]C2)c1 ZINC001219768903 774601886 /nfs/dbraw/zinc/60/18/86/774601886.db2.gz QLLLXZSNBPOONN-HOCLYGCPSA-N 1 3 304.369 0.636 20 30 DCEDHO C=C(C)C(=O)NCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220043146 774678711 /nfs/dbraw/zinc/67/87/11/774678711.db2.gz GXPVFXUHCRPVEB-ZDUSSCGKSA-N 1 3 308.426 0.059 20 30 DCEDHO C=C(C)C(=O)NCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220043146 774678713 /nfs/dbraw/zinc/67/87/13/774678713.db2.gz GXPVFXUHCRPVEB-ZDUSSCGKSA-N 1 3 308.426 0.059 20 30 DCEDHO C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(=O)OCC ZINC001220570880 774847406 /nfs/dbraw/zinc/84/74/06/774847406.db2.gz CDZPQCYNWSNIQB-IIYDPXPESA-N 1 3 321.421 0.485 20 30 DCEDHO C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(=O)OCC ZINC001220570880 774847415 /nfs/dbraw/zinc/84/74/15/774847415.db2.gz CDZPQCYNWSNIQB-IIYDPXPESA-N 1 3 321.421 0.485 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220937359 774957679 /nfs/dbraw/zinc/95/76/79/774957679.db2.gz PVGDLRUCWBDAKN-HUUCEWRRSA-N 1 3 302.378 0.443 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317655274 945146985 /nfs/dbraw/zinc/14/69/85/945146985.db2.gz PAEAVNQSQSRHAB-UONOGXRCSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317655274 945146988 /nfs/dbraw/zinc/14/69/88/945146988.db2.gz PAEAVNQSQSRHAB-UONOGXRCSA-N 1 3 310.442 0.067 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001266879732 939264320 /nfs/dbraw/zinc/26/43/20/939264320.db2.gz XFLARRNFHMPRGF-IAGOWNOFSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC001480950010 939469059 /nfs/dbraw/zinc/46/90/59/939469059.db2.gz CLRLIMHGLZTLNH-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)C[C@H]2CCCOC2)CC1 ZINC001480950010 939469060 /nfs/dbraw/zinc/46/90/60/939469060.db2.gz CLRLIMHGLZTLNH-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC#CCOC)C1)N(C)C ZINC001481440429 939792617 /nfs/dbraw/zinc/79/26/17/939792617.db2.gz ZJJZYHHYXIHEJN-JKSUJKDBSA-N 1 3 309.454 0.805 20 30 DCEDHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC#CCOC)C1)N(C)C ZINC001481440429 939792621 /nfs/dbraw/zinc/79/26/21/939792621.db2.gz ZJJZYHHYXIHEJN-JKSUJKDBSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CC[C@H](C)F)CC1 ZINC001268335815 940067452 /nfs/dbraw/zinc/06/74/52/940067452.db2.gz XHRPHJWZFBLVFE-ZFWWWQNUSA-N 1 3 313.417 0.146 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268697475 940333964 /nfs/dbraw/zinc/33/39/64/940333964.db2.gz DDDAKZIWBLEFEL-ZDUSSCGKSA-N 1 3 310.442 0.257 20 30 DCEDHO COCC#CCN1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001270925212 941225665 /nfs/dbraw/zinc/22/56/65/941225665.db2.gz AVRIVQLVBKZTLT-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCN1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001270925212 941225670 /nfs/dbraw/zinc/22/56/70/941225670.db2.gz AVRIVQLVBKZTLT-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnn(C)c2)CC1 ZINC001483198742 941933232 /nfs/dbraw/zinc/93/32/32/941933232.db2.gz YHBCNHVSNIHREL-CQSZACIVSA-N 1 3 317.437 0.360 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001272333674 942694393 /nfs/dbraw/zinc/69/43/93/942694393.db2.gz YEQHZCUABHOIMX-HUUCEWRRSA-N 1 3 318.421 0.785 20 30 DCEDHO C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484225372 943220708 /nfs/dbraw/zinc/22/07/08/943220708.db2.gz XIRQMCJUQPZDFL-MRXNPFEDSA-N 1 3 309.454 0.990 20 30 DCEDHO C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001484225372 943220714 /nfs/dbraw/zinc/22/07/14/943220714.db2.gz XIRQMCJUQPZDFL-MRXNPFEDSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001484954142 943636254 /nfs/dbraw/zinc/63/62/54/943636254.db2.gz GVZHZXPLVYUDTK-CQSZACIVSA-N 1 3 313.417 0.243 20 30 DCEDHO C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001317266610 944888766 /nfs/dbraw/zinc/88/87/66/944888766.db2.gz SQYDFAJSVAOYJY-DZGCQCFKSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317300926 944909972 /nfs/dbraw/zinc/90/99/72/944909972.db2.gz LBXJTIROFOBDMI-LSDHHAIUSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317300926 944909987 /nfs/dbraw/zinc/90/99/87/944909987.db2.gz LBXJTIROFOBDMI-LSDHHAIUSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001273298023 946446414 /nfs/dbraw/zinc/44/64/14/946446414.db2.gz HDJVPRADKTXJFO-KBPBESRZSA-N 1 3 310.442 0.209 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001324096728 947313562 /nfs/dbraw/zinc/31/35/62/947313562.db2.gz DKXDVLZGDUKHFE-JKSUJKDBSA-N 1 3 309.454 0.946 20 30 DCEDHO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001327603292 948566898 /nfs/dbraw/zinc/56/68/98/948566898.db2.gz LXRRIFYWDRQUTJ-DOTOQJQBSA-N 1 3 309.454 0.539 20 30 DCEDHO C=CCC[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001328197964 948740602 /nfs/dbraw/zinc/74/06/02/948740602.db2.gz GHISRCVHOPLUOM-OAHLLOKOSA-N 1 3 309.454 0.847 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1OCC ZINC001263971941 948819674 /nfs/dbraw/zinc/81/96/74/948819674.db2.gz KOPUBHQTSLRUEI-OWCLPIDISA-N 1 3 309.454 0.803 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2CCC)C[C@H]1OCC ZINC001263966422 948820112 /nfs/dbraw/zinc/82/01/12/948820112.db2.gz IBNAMKYEHIFMBD-BRWVUGGUSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001264078921 948866384 /nfs/dbraw/zinc/86/63/84/948866384.db2.gz UKMBIAVURWLWMJ-CVEARBPZSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001264078921 948866396 /nfs/dbraw/zinc/86/63/96/948866396.db2.gz UKMBIAVURWLWMJ-CVEARBPZSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC#CC)C2)CC1 ZINC001488880208 949345654 /nfs/dbraw/zinc/34/56/54/949345654.db2.gz OTFDLFSMPLSFTA-JCNLHEQBSA-N 1 3 301.434 0.839 20 30 DCEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1CC#CCOC ZINC001489105998 949496769 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DCEDHO N#CCCCC[C@H]([NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001350405248 955085528 /nfs/dbraw/zinc/08/55/28/955085528.db2.gz MQKKTLBKWPRFHE-GJZGRUSLSA-N 1 3 308.426 0.767 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001491682244 959042436 /nfs/dbraw/zinc/04/24/36/959042436.db2.gz JHIPIUZZYZLDPE-DOTOQJQBSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503003910 1016145735 /nfs/dbraw/zinc/14/57/35/1016145735.db2.gz UFBXVABOARCHOU-HUUCEWRRSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507727949 1016556287 /nfs/dbraw/zinc/55/62/87/1016556287.db2.gz LEKBOJLCBYZUDZ-HZPDHXFCSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001507727949 1016556295 /nfs/dbraw/zinc/55/62/95/1016556295.db2.gz LEKBOJLCBYZUDZ-HZPDHXFCSA-N 1 3 309.454 0.635 20 30 DCEDHO CSC1(CNC(=O)NCC#CCN(C)C)CC[NH+](C)CC1 ZINC001564863256 1012533658 /nfs/dbraw/zinc/53/36/58/1012533658.db2.gz VCOLWWNVOVIGLE-UHFFFAOYSA-N 1 3 312.483 0.678 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001480067229 1018178614 /nfs/dbraw/zinc/17/86/14/1018178614.db2.gz YHNINIIHATWYSX-YOEHRIQHSA-N 1 3 321.465 0.851 20 30 DCEDHO COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480080889 1018188726 /nfs/dbraw/zinc/18/87/26/1018188726.db2.gz ADEXMYOKNJGXCF-DLBZAZTESA-N 1 3 321.465 0.901 20 30 DCEDHO COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480080889 1018188733 /nfs/dbraw/zinc/18/87/33/1018188733.db2.gz ADEXMYOKNJGXCF-DLBZAZTESA-N 1 3 321.465 0.901 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044297 1018609829 /nfs/dbraw/zinc/60/98/29/1018609829.db2.gz SQNLLSUUFAHOLN-AWEZNQCLSA-N 1 3 324.469 0.647 20 30 DCEDHO COCC#CCN[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001480568373 1018666183 /nfs/dbraw/zinc/66/61/83/1018666183.db2.gz DINDRHGSTBVEDL-HNNXBMFYSA-N 1 3 321.465 0.853 20 30 DCEDHO CC[C@@H](C(=O)N1CC[C@H](NCC#CCOC)C1)[NH+](CC)CC ZINC001480620151 1018713940 /nfs/dbraw/zinc/71/39/40/1018713940.db2.gz ROVJIWSSHRZIGG-HOTGVXAUSA-N 1 3 309.454 0.947 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206343 1019163032 /nfs/dbraw/zinc/16/30/32/1019163032.db2.gz IIJFEPNLEXXLNL-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO CC(C)(C#N)C[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721352 397284530 /nfs/dbraw/zinc/28/45/30/397284530.db2.gz VMTONIIXBWFBQL-KGLIPLIRSA-N 1 3 310.442 0.464 20 30 DCEDHO CC(C)(C#N)C[C@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721352 397284532 /nfs/dbraw/zinc/28/45/32/397284532.db2.gz VMTONIIXBWFBQL-KGLIPLIRSA-N 1 3 310.442 0.464 20 30 DCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343308247 415548862 /nfs/dbraw/zinc/54/88/62/415548862.db2.gz LHPWUDIVRSZOAZ-UHFFFAOYSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000419566547 416404151 /nfs/dbraw/zinc/40/41/51/416404151.db2.gz GQHVKUOMFCOIKO-LSDHHAIUSA-N 1 3 322.453 0.361 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419723946 416406387 /nfs/dbraw/zinc/40/63/87/416406387.db2.gz GJJBGRZBYCGVOC-HNNXBMFYSA-N 1 3 322.453 0.387 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419727856 416406935 /nfs/dbraw/zinc/40/69/35/416406935.db2.gz LZBKXEZGRGCVIC-HNNXBMFYSA-N 1 3 322.453 0.483 20 30 DCEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330516 416418746 /nfs/dbraw/zinc/41/87/46/416418746.db2.gz PZMCXCFMZJOWDF-MJBXVCDLSA-N 1 3 308.426 0.708 20 30 DCEDHO C#CCNC(=O)CCNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000491810343 416632051 /nfs/dbraw/zinc/63/20/51/416632051.db2.gz ZGNWKFVLSDAQLD-QGZVFWFLSA-N 1 3 315.417 0.482 20 30 DCEDHO C#CCNC(=O)CCNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000491810343 416632053 /nfs/dbraw/zinc/63/20/53/416632053.db2.gz ZGNWKFVLSDAQLD-QGZVFWFLSA-N 1 3 315.417 0.482 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000570028656 417304814 /nfs/dbraw/zinc/30/48/14/417304814.db2.gz FDMQSPLNMXNABO-HNNXBMFYSA-N 1 3 310.442 0.705 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652690954 417944881 /nfs/dbraw/zinc/94/48/81/417944881.db2.gz RGJZRQQFLMAUIE-UHFFFAOYSA-N 1 3 322.453 0.259 20 30 DCEDHO Cc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C#N ZINC000531357342 287775549 /nfs/dbraw/zinc/77/55/49/287775549.db2.gz YCQDFTNBVVWPQB-UHFFFAOYSA-N 1 3 303.410 0.827 20 30 DCEDHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330249313 336129570 /nfs/dbraw/zinc/12/95/70/336129570.db2.gz ZTMHIRAUFPCYAE-OAGGEKHMSA-N 1 3 324.469 0.914 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000249412894 341397235 /nfs/dbraw/zinc/39/72/35/341397235.db2.gz FQNVKRWHDDNGJM-JYJNAYRXSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C(C)C ZINC000565962477 341543783 /nfs/dbraw/zinc/54/37/83/341543783.db2.gz RALALGDMUAKEEZ-HNNXBMFYSA-N 1 3 324.469 0.608 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000358123624 526417434 /nfs/dbraw/zinc/41/74/34/526417434.db2.gz GSKBYMORTCVXQF-UHFFFAOYSA-N 1 3 324.469 0.601 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)CCCC)CC1 ZINC000358123624 526417441 /nfs/dbraw/zinc/41/74/41/526417441.db2.gz GSKBYMORTCVXQF-UHFFFAOYSA-N 1 3 324.469 0.601 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267475318 529074614 /nfs/dbraw/zinc/07/46/14/529074614.db2.gz ZFMCDZLVSIJKIM-GFCCVEGCSA-N 1 3 307.446 0.375 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264078888 529074865 /nfs/dbraw/zinc/07/48/65/529074865.db2.gz GTOPIFCCKIFQFD-CQSZACIVSA-N 1 3 303.410 0.674 20 30 DCEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981784721 661216080 /nfs/dbraw/zinc/21/60/80/661216080.db2.gz PTAOWHVWRYWTHW-HOTGVXAUSA-N 1 3 319.449 0.960 20 30 DCEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981784721 661216083 /nfs/dbraw/zinc/21/60/83/661216083.db2.gz PTAOWHVWRYWTHW-HOTGVXAUSA-N 1 3 319.449 0.960 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)COC)C2)CC1 ZINC000970922633 658085092 /nfs/dbraw/zinc/08/50/92/658085092.db2.gz ZUIBSEJTMCEVCX-LSDHHAIUSA-N 1 3 321.465 0.803 20 30 DCEDHO C#CC[NH2+]C1CCC(NC(=O)C2CCN(CC#C)CC2)CC1 ZINC001026610727 659411461 /nfs/dbraw/zinc/41/14/61/659411461.db2.gz UFGSDHWOBQXIJI-UHFFFAOYSA-N 1 3 301.434 0.982 20 30 DCEDHO C#CCN(C)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027413956 659424914 /nfs/dbraw/zinc/42/49/14/659424914.db2.gz BQYDIOIFJTVLSH-OAHLLOKOSA-N 1 3 317.437 0.614 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCO)C2)CC1 ZINC001025630269 659496958 /nfs/dbraw/zinc/49/69/58/659496958.db2.gz RUFYTIXADGIGQW-RDJZCZTQSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001025630269 659496961 /nfs/dbraw/zinc/49/69/61/659496961.db2.gz RUFYTIXADGIGQW-RDJZCZTQSA-N 1 3 321.465 0.541 20 30 DCEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046866 665729828 /nfs/dbraw/zinc/72/98/28/665729828.db2.gz WREPQAYWMVUXGF-UKRRQHHQSA-N 1 3 318.425 0.279 20 30 DCEDHO C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046866 665729830 /nfs/dbraw/zinc/72/98/30/665729830.db2.gz WREPQAYWMVUXGF-UKRRQHHQSA-N 1 3 318.425 0.279 20 30 DCEDHO C#CCN(C)CCCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841906368 662341606 /nfs/dbraw/zinc/34/16/06/662341606.db2.gz AOXQVQXIHQBZSP-UHFFFAOYSA-N 1 3 302.422 0.942 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975432 665969424 /nfs/dbraw/zinc/96/94/24/665969424.db2.gz IFRROHVMYVCJOQ-PQUAAJSLSA-N 1 3 317.433 0.784 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975432 665969427 /nfs/dbraw/zinc/96/94/27/665969427.db2.gz IFRROHVMYVCJOQ-PQUAAJSLSA-N 1 3 317.433 0.784 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236414 664008907 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C#CCN1CCC(C(=O)NCCC[NH2+]CC#CCOC)CC1 ZINC001176926603 770227312 /nfs/dbraw/zinc/22/73/12/770227312.db2.gz QCJBEBSBYJWVFJ-UHFFFAOYSA-N 1 3 305.422 0.077 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179744553 771009737 /nfs/dbraw/zinc/00/97/37/771009737.db2.gz VUNHZRSUIGKHEQ-ILXRZTDVSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473107 771497300 /nfs/dbraw/zinc/49/73/00/771497300.db2.gz OIRJWUIWUCHQPS-HUUCEWRRSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473107 771497301 /nfs/dbraw/zinc/49/73/01/771497301.db2.gz OIRJWUIWUCHQPS-HUUCEWRRSA-N 1 3 322.453 0.352 20 30 DCEDHO N#CCCN(Cc1cccnc1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157730710 771660043 /nfs/dbraw/zinc/66/00/43/771660043.db2.gz QXUBKABKYCUROC-HNNXBMFYSA-N 1 3 301.394 0.651 20 30 DCEDHO C[C@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)[C@H]1CNCCO1 ZINC001159488477 771918098 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C#CCN1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162576323 772394275 /nfs/dbraw/zinc/39/42/75/772394275.db2.gz CZSPHCBUHAHRDV-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162576323 772394282 /nfs/dbraw/zinc/39/42/82/772394282.db2.gz CZSPHCBUHAHRDV-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872585 772427981 /nfs/dbraw/zinc/42/79/81/772427981.db2.gz XCZHOJFUEHIBIB-ISXOHVOVSA-N 1 3 307.438 0.912 20 30 DCEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431954 772768361 /nfs/dbraw/zinc/76/83/61/772768361.db2.gz XJJRJDYAUACXFH-BNQMIIOLSA-N 1 3 317.433 0.406 20 30 DCEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431954 772768366 /nfs/dbraw/zinc/76/83/66/772768366.db2.gz XJJRJDYAUACXFH-BNQMIIOLSA-N 1 3 317.433 0.406 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204798527 772962396 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C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203932287 774076383 /nfs/dbraw/zinc/07/63/83/774076383.db2.gz BGYWRMDAUDCDQC-AWEZNQCLSA-N 1 3 324.469 0.598 20 30 DCEDHO CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219161301 774393765 /nfs/dbraw/zinc/39/37/65/774393765.db2.gz ASFSSPYBBADZPE-LBPRGKRZSA-N 1 3 303.366 0.231 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200737094 774403596 /nfs/dbraw/zinc/40/35/96/774403596.db2.gz KCTCZFVQFZFXKM-HOTGVXAUSA-N 1 3 309.454 0.803 20 30 DCEDHO C=C[C@H]1C[C@@]1(NC(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)OCC ZINC001220571304 774847978 /nfs/dbraw/zinc/84/79/78/774847978.db2.gz OFCYWRXTRFFWCG-XEZPLFJOSA-N 1 3 311.426 0.670 20 30 DCEDHO COCC#CCNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266739198 939225148 /nfs/dbraw/zinc/22/51/48/939225148.db2.gz XFIUGUJTNKDFKB-UHFFFAOYSA-N 1 3 307.438 0.560 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CCC[C@H](C)O)C2)CC1 ZINC001318176869 945281696 /nfs/dbraw/zinc/28/16/96/945281696.db2.gz RQXDSLUQRGASFB-HNNXBMFYSA-N 1 3 321.465 0.541 20 30 DCEDHO C=CCNC(=O)CNCCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268450677 940127354 /nfs/dbraw/zinc/12/73/54/940127354.db2.gz PTBKGVPVKCUZJV-OAHLLOKOSA-N 1 3 322.453 0.069 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1C ZINC001268471152 940164511 /nfs/dbraw/zinc/16/45/11/940164511.db2.gz BWQVURYUWKXPRC-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001279878697 940337385 /nfs/dbraw/zinc/33/73/85/940337385.db2.gz JGCLVGAINORQFS-UHFFFAOYSA-N 1 3 309.454 0.541 20 30 DCEDHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270345631 940884904 /nfs/dbraw/zinc/88/49/04/940884904.db2.gz ISWNXAOFHZBHNZ-HZPDHXFCSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001271912187 941478271 /nfs/dbraw/zinc/47/82/71/941478271.db2.gz PNIPSFOGXOORRK-MRXNPFEDSA-N 1 3 308.470 0.520 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485154349 943721476 /nfs/dbraw/zinc/72/14/76/943721476.db2.gz DESBLBMPRUGEJQ-STQMWFEESA-N 1 3 310.442 0.256 20 30 DCEDHO C=CCOCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580282 944014123 /nfs/dbraw/zinc/01/41/23/944014123.db2.gz FMKYWOJTWYIVRY-LSDHHAIUSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCOCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580282 944014128 /nfs/dbraw/zinc/01/41/28/944014128.db2.gz FMKYWOJTWYIVRY-LSDHHAIUSA-N 1 3 309.454 0.967 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001318608790 945412315 /nfs/dbraw/zinc/41/23/15/945412315.db2.gz YUUZXSGZDNFOFO-DOTOQJQBSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)O)CC(C)C)CC1 ZINC001319641702 945637731 /nfs/dbraw/zinc/63/77/31/945637731.db2.gz AMUCCXUHXZVINB-WBVHZDCISA-N 1 3 323.481 0.833 20 30 DCEDHO C=CCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001273180581 945678406 /nfs/dbraw/zinc/67/84/06/945678406.db2.gz SWCRCQMLPSICJK-CQSZACIVSA-N 1 3 322.453 0.259 20 30 DCEDHO C=CCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001273180581 945678410 /nfs/dbraw/zinc/67/84/10/945678410.db2.gz SWCRCQMLPSICJK-CQSZACIVSA-N 1 3 322.453 0.259 20 30 DCEDHO C#CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001251897489 945814806 /nfs/dbraw/zinc/81/48/06/945814806.db2.gz YYZTZNMSJHRVTP-SFHVURJKSA-N 1 3 317.433 0.894 20 30 DCEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252598815 945970758 /nfs/dbraw/zinc/97/07/58/945970758.db2.gz RTFZHXIJKLBBFO-QZWWFDLISA-N 1 3 319.453 1.000 20 30 DCEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252598815 945970761 /nfs/dbraw/zinc/97/07/61/945970761.db2.gz RTFZHXIJKLBBFO-QZWWFDLISA-N 1 3 319.453 1.000 20 30 DCEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161010 947687773 /nfs/dbraw/zinc/68/77/73/947687773.db2.gz LGNDDHRAVRPXCY-NVXWUHKLSA-N 1 3 309.454 0.846 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1 ZINC001326418887 948156293 /nfs/dbraw/zinc/15/62/93/948156293.db2.gz MHSONZKMUHPEAQ-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001266012962 950253768 /nfs/dbraw/zinc/25/37/68/950253768.db2.gz OFOXFSXXPZJPGE-JKSUJKDBSA-N 1 3 309.454 0.661 20 30 DCEDHO C#CC[NH2+]C1CCN(CCNC(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001279454290 950578907 /nfs/dbraw/zinc/57/89/07/950578907.db2.gz ZZZYELVXNQYANJ-UHFFFAOYSA-N 1 3 317.437 0.491 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001332341504 951596290 /nfs/dbraw/zinc/59/62/90/951596290.db2.gz PYEQCXFMYODUJU-HOTGVXAUSA-N 1 3 309.454 0.851 20 30 DCEDHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332438384 951646586 /nfs/dbraw/zinc/64/65/86/951646586.db2.gz RZGKMCWKMFEGMA-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCN1CCC(NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001340077472 953142693 /nfs/dbraw/zinc/14/26/93/953142693.db2.gz QDCBBRXYROPPBK-HNNXBMFYSA-N 1 3 310.442 0.243 20 30 DCEDHO C=CCCC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664738 953243963 /nfs/dbraw/zinc/24/39/63/953243963.db2.gz DZMDJIZWDOSFKL-NWDGAFQWSA-N 1 3 322.375 0.622 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CCC(=C)C)CC1 ZINC001283832797 954644112 /nfs/dbraw/zinc/64/41/12/954644112.db2.gz XOGMPTMPBAREIV-MRXNPFEDSA-N 1 3 307.438 0.365 20 30 DCEDHO N#CCCCC[C@H]([NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001350405247 955085098 /nfs/dbraw/zinc/08/50/98/955085098.db2.gz MQKKTLBKWPRFHE-CABCVRRESA-N 1 3 308.426 0.767 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516737 956100102 /nfs/dbraw/zinc/10/01/02/956100102.db2.gz XIVKKZSADSRYHI-UONOGXRCSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCN1CCC[C@H](NC(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC001527865183 1015554303 /nfs/dbraw/zinc/55/43/03/1015554303.db2.gz QPKWQIOQINMCAG-HOTGVXAUSA-N 1 3 321.469 0.019 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001502573350 1015979039 /nfs/dbraw/zinc/97/90/39/1015979039.db2.gz NFERXSUNWYAXDU-RDJZCZTQSA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001502573350 1015979043 /nfs/dbraw/zinc/97/90/43/1015979043.db2.gz NFERXSUNWYAXDU-RDJZCZTQSA-N 1 3 307.438 0.437 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480708871 1018793396 /nfs/dbraw/zinc/79/33/96/1018793396.db2.gz HYKYVTDPCRFUEF-GJZGRUSLSA-N 1 3 324.469 0.646 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001501898603 1019543718 /nfs/dbraw/zinc/54/37/18/1019543718.db2.gz VWUXIVILKYDREF-OAHLLOKOSA-N 1 3 322.453 0.355 20 30 DCEDHO C#CCNC(=O)CCNCc1cccc(OCC[NH+](C)C)c1 ZINC000491697931 241132502 /nfs/dbraw/zinc/13/25/02/241132502.db2.gz RWNYJZABNFOWFI-UHFFFAOYSA-N 1 3 303.406 0.856 20 30 DCEDHO C[C@H](C(=O)N(C)CCC#N)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126411138 415874644 /nfs/dbraw/zinc/87/46/44/415874644.db2.gz QHNGNGXTBOMNQE-OAHLLOKOSA-N 1 3 323.485 0.705 20 30 DCEDHO CN1CCC([NH+]2CCC(NC(=O)NCCN3CCC3)CC2)CC1 ZINC000328732918 416128625 /nfs/dbraw/zinc/12/86/25/416128625.db2.gz XTQKLULXRYLRTG-UHFFFAOYSA-N 1 3 323.485 0.754 20 30 DCEDHO C#CCNC(=O)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000491714878 416618192 /nfs/dbraw/zinc/61/81/92/416618192.db2.gz HZJCMKZOQBTLOO-HZPDHXFCSA-N 1 3 307.438 0.483 20 30 DCEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424154722 416619131 /nfs/dbraw/zinc/61/91/31/416619131.db2.gz LTUULTHHNOOUJG-ZIAGYGMSSA-N 1 3 323.441 0.066 20 30 DCEDHO CN1CCN(c2ccncc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000564572832 416893062 /nfs/dbraw/zinc/89/30/62/416893062.db2.gz VTEJJMHKHKTVNX-ZDUSSCGKSA-N 1 3 316.409 0.793 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000125830667 340811057 /nfs/dbraw/zinc/81/10/57/340811057.db2.gz AVJPROMWXHHOBN-MRXNPFEDSA-N 1 3 312.458 0.639 20 30 DCEDHO C[C@H]1C[NH+]=C(NCc2cccc(C(=O)NCCN(C)C)c2)N1 ZINC000262644692 533990599 /nfs/dbraw/zinc/99/05/99/533990599.db2.gz IUFPKBHIBNEZGK-LBPRGKRZSA-N 1 3 303.410 0.415 20 30 DCEDHO C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262494965 526347443 /nfs/dbraw/zinc/34/74/43/526347443.db2.gz WCPGJHSKKMFESN-CQSZACIVSA-N 1 3 309.458 0.647 20 30 DCEDHO C#CCN1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640756 658090144 /nfs/dbraw/zinc/09/01/44/658090144.db2.gz MJBZOSXQMDNNGT-OAHLLOKOSA-N 1 3 317.437 0.520 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000977635294 659791935 /nfs/dbraw/zinc/79/19/35/659791935.db2.gz AJCFZGRWJNHIOM-ZBFHGGJFSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000977635294 659791939 /nfs/dbraw/zinc/79/19/39/659791939.db2.gz AJCFZGRWJNHIOM-ZBFHGGJFSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@]2(C)C1 ZINC000982557120 661566740 /nfs/dbraw/zinc/56/67/40/661566740.db2.gz KLVCGEBFSPPDGL-UOVPBQLFSA-N 1 3 303.450 0.988 20 30 DCEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@]2(C)C1 ZINC000982557120 661566741 /nfs/dbraw/zinc/56/67/41/661566741.db2.gz KLVCGEBFSPPDGL-UOVPBQLFSA-N 1 3 303.450 0.988 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911236416 664008946 /nfs/dbraw/zinc/00/89/46/664008946.db2.gz QTACHEFJWZTUMB-DYVFJYSZSA-N 1 3 320.437 0.093 20 30 DCEDHO CN(C)CC#CCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000913523650 664335022 /nfs/dbraw/zinc/33/50/22/664335022.db2.gz HKPFTNIYPKKGBB-JKSUJKDBSA-N 1 3 317.437 0.137 20 30 DCEDHO CN(C)CC#CCNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000913523650 664335025 /nfs/dbraw/zinc/33/50/25/664335025.db2.gz HKPFTNIYPKKGBB-JKSUJKDBSA-N 1 3 317.437 0.137 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914953 664595537 /nfs/dbraw/zinc/59/55/37/664595537.db2.gz KRJZVFJLPPGZKN-CQSZACIVSA-N 1 3 311.474 0.486 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC[NH+]([C@H](C)COC)CC2)CC1 ZINC001004201965 666475954 /nfs/dbraw/zinc/47/59/54/666475954.db2.gz UAKNUDLIPHPILJ-OAHLLOKOSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001005426467 666855347 /nfs/dbraw/zinc/85/53/47/666855347.db2.gz URRWXFWHTUZLRS-SJORKVTESA-N 1 3 319.449 0.796 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001034044713 666906399 /nfs/dbraw/zinc/90/63/99/666906399.db2.gz DMWWKTDOASENOX-RDJZCZTQSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001034044713 666906400 /nfs/dbraw/zinc/90/64/00/666906400.db2.gz DMWWKTDOASENOX-RDJZCZTQSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001034693577 667111737 /nfs/dbraw/zinc/11/17/37/667111737.db2.gz DKWNNIVBZYGRCN-BFKWJSRZSA-N 1 3 317.433 0.500 20 30 DCEDHO C[C@@H]1C[C@H](C)N(C(=O)C2CC3(C2)CNC[C@H]3C#N)C[C@@H]1C[NH3+] ZINC000884348064 667529396 /nfs/dbraw/zinc/52/93/96/667529396.db2.gz MUCOGTKTYFQQGN-RYNCHKNESA-N 1 3 304.438 0.958 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884643172 667581299 /nfs/dbraw/zinc/58/12/99/667581299.db2.gz YWMMXPGNDQAAFJ-HDJSIYSDSA-N 1 3 322.453 0.387 20 30 DCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783572 668510514 /nfs/dbraw/zinc/51/05/14/668510514.db2.gz HFZXCHVYBOOQDI-UONOGXRCSA-N 1 3 314.861 0.695 20 30 DCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876783572 668510517 /nfs/dbraw/zinc/51/05/17/668510517.db2.gz HFZXCHVYBOOQDI-UONOGXRCSA-N 1 3 314.861 0.695 20 30 DCEDHO CN(C)c1ccncc1C=NNC(=S)NCCC[NH+](C)C ZINC000776185709 668872522 /nfs/dbraw/zinc/87/25/22/668872522.db2.gz FJFPBBSXVNPVSM-UHFFFAOYSA-N 1 3 308.455 0.897 20 30 DCEDHO C#CC[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000854541715 670585106 /nfs/dbraw/zinc/58/51/06/670585106.db2.gz KETSAUGQTFYIPQ-MRXNPFEDSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000855345499 670700622 /nfs/dbraw/zinc/70/06/22/670700622.db2.gz CBBUQTHVLTZWHU-INIZCTEOSA-N 1 3 322.497 0.720 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989424 670746104 /nfs/dbraw/zinc/74/61/04/670746104.db2.gz HUWYUWWFZPADHY-CQSZACIVSA-N 1 3 315.425 0.963 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@@H](C)O)CC1 ZINC001024812400 693836094 /nfs/dbraw/zinc/83/60/94/693836094.db2.gz OJHNPWQBAFMATF-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001024812400 693836098 /nfs/dbraw/zinc/83/60/98/693836098.db2.gz OJHNPWQBAFMATF-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304761833 685211644 /nfs/dbraw/zinc/21/16/44/685211644.db2.gz UYSGLZSNGIUSKL-GJZGRUSLSA-N 1 3 312.458 0.818 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304741357 685212159 /nfs/dbraw/zinc/21/21/59/685212159.db2.gz CBDJKTVQQZYJAP-LSDHHAIUSA-N 1 3 311.474 0.343 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC000958724590 687877341 /nfs/dbraw/zinc/87/73/41/687877341.db2.gz QMQMDYXJNNMNSC-SJORKVTESA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC000958724590 687877345 /nfs/dbraw/zinc/87/73/45/687877345.db2.gz QMQMDYXJNNMNSC-SJORKVTESA-N 1 3 319.449 0.317 20 30 DCEDHO C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729880 687882868 /nfs/dbraw/zinc/88/28/68/687882868.db2.gz YZLJVMGIMVKFFU-WBVHZDCISA-N 1 3 317.433 0.957 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](C(C)C)CCCO2)CC1 ZINC001073899068 694798531 /nfs/dbraw/zinc/79/85/31/694798531.db2.gz KONLYOBXERQSDL-KRWDZBQOSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](C(C)C)CCCO2)CC1 ZINC001073899068 694798532 /nfs/dbraw/zinc/79/85/32/694798532.db2.gz KONLYOBXERQSDL-KRWDZBQOSA-N 1 3 321.465 0.947 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001570952547 1162653699 /nfs/dbraw/zinc/65/36/99/1162653699.db2.gz OSVHZNHFALSLBB-OSYLJGHBSA-N 1 3 319.449 0.272 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC001772517043 1157408712 /nfs/dbraw/zinc/40/87/12/1157408712.db2.gz JXZHYMSTFFNVNJ-HZPDHXFCSA-N 1 3 321.465 0.853 20 30 DCEDHO C=CCOCCN1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001691106038 1157583035 /nfs/dbraw/zinc/58/30/35/1157583035.db2.gz PHZQJOHXGVAXQE-OAHLLOKOSA-N 1 3 307.438 0.865 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001566890459 1160177831 /nfs/dbraw/zinc/17/78/31/1160177831.db2.gz RRFPJILZMWLISF-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO COCC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965968 1160196711 /nfs/dbraw/zinc/19/67/11/1160196711.db2.gz PHDPIAXKLGUQRJ-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568274177 1160618541 /nfs/dbraw/zinc/61/85/41/1160618541.db2.gz SMJLMTSNNQEDAH-UKRRQHHQSA-N 1 3 322.453 0.067 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC001570285178 1161541548 /nfs/dbraw/zinc/54/15/48/1161541548.db2.gz AKJQFEQLOZZDGX-WMZOPIPTSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570291194 1161548468 /nfs/dbraw/zinc/54/84/68/1161548468.db2.gz MPNPKZFGDAIBJN-NVXWUHKLSA-N 1 3 307.438 0.295 20 30 DCEDHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001656201154 1173851305 /nfs/dbraw/zinc/85/13/05/1173851305.db2.gz QRERSSIHNHGMLZ-ULQDDVLXSA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001664869287 1174468274 /nfs/dbraw/zinc/46/82/74/1174468274.db2.gz VMNCBGUXVLMEQN-QGZVFWFLSA-N 1 3 321.465 0.901 20 30 DCEDHO COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001664869287 1174468277 /nfs/dbraw/zinc/46/82/77/1174468277.db2.gz VMNCBGUXVLMEQN-QGZVFWFLSA-N 1 3 321.465 0.901 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001664946624 1174471311 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DCEDHO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001690628485 1177286824 /nfs/dbraw/zinc/28/68/24/1177286824.db2.gz OHTACZVPUHAZFF-HOTGVXAUSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CCN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713321449 1180767973 /nfs/dbraw/zinc/76/79/73/1180767973.db2.gz PFIPBLMLNMNNDI-CVEARBPZSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CCN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713321449 1180767980 /nfs/dbraw/zinc/76/79/80/1180767980.db2.gz PFIPBLMLNMNNDI-CVEARBPZSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)C[C@H](C)OC)CC1 ZINC001713497118 1180871402 /nfs/dbraw/zinc/87/14/02/1180871402.db2.gz DVNRSZXCHZWNQS-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](CC)C[C@H](C)OC)CC1 ZINC001713497118 1180871409 /nfs/dbraw/zinc/87/14/09/1180871409.db2.gz DVNRSZXCHZWNQS-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001714668395 1181467848 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COCC#CC[N@H+]1C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC001717014550 1182622580 /nfs/dbraw/zinc/62/25/80/1182622580.db2.gz WQRZEDPNVVIUTO-IYBDPMFKSA-N 1 3 305.422 0.122 20 30 DCEDHO COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC001717014550 1182622585 /nfs/dbraw/zinc/62/25/85/1182622585.db2.gz WQRZEDPNVVIUTO-IYBDPMFKSA-N 1 3 305.422 0.122 20 30 DCEDHO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001717588265 1182912594 /nfs/dbraw/zinc/91/25/94/1182912594.db2.gz WTGFVQCKHYKBFC-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001717588265 1182912600 /nfs/dbraw/zinc/91/26/00/1182912600.db2.gz WTGFVQCKHYKBFC-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001723874544 1184357422 /nfs/dbraw/zinc/35/74/22/1184357422.db2.gz LTGZHZJFIVATLX-CVEARBPZSA-N 1 3 309.454 0.947 20 30 DCEDHO C=CCN1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724430634 1184441254 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C=CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732419353 1185809575 /nfs/dbraw/zinc/80/95/75/1185809575.db2.gz LRJLSOVWFUUKSI-GJZGRUSLSA-N 1 3 324.469 0.598 20 30 DCEDHO C=C(C)CN1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733481154 1186288254 /nfs/dbraw/zinc/28/82/54/1186288254.db2.gz ZPOHJYILAXYGGS-DOTOQJQBSA-N 1 3 307.438 0.457 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001734347586 1186620288 /nfs/dbraw/zinc/62/02/88/1186620288.db2.gz SUXAHSWJOZJHEA-AWEZNQCLSA-N 1 3 324.469 0.457 20 30 DCEDHO COCC#CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001734494700 1186666466 /nfs/dbraw/zinc/66/64/66/1186666466.db2.gz JMPOPRIMAUGQHZ-HNNXBMFYSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCOCC)C2)CC1 ZINC001752774984 1188438806 /nfs/dbraw/zinc/43/88/06/1188438806.db2.gz CPEFBJNIGBQTPE-IYBDPMFKSA-N 1 3 307.438 0.605 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)CN(C)C(C)C)C1=O ZINC001752921486 1188462396 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0.773 20 30 DCEDHO CC#CC[N@@H+](CCO)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001098540470 747111046 /nfs/dbraw/zinc/11/10/46/747111046.db2.gz NMMQBVRRDLXAHD-UHFFFAOYSA-N 1 3 309.454 0.637 20 30 DCEDHO CC#CC[N@H+](CCO)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001098540470 747111050 /nfs/dbraw/zinc/11/10/50/747111050.db2.gz NMMQBVRRDLXAHD-UHFFFAOYSA-N 1 3 309.454 0.637 20 30 DCEDHO C=C(Cl)CNCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168042720 749168218 /nfs/dbraw/zinc/16/82/18/749168218.db2.gz BCBDPDSIVKLPEB-UHFFFAOYSA-N 1 3 313.833 0.907 20 30 DCEDHO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035405 753438955 /nfs/dbraw/zinc/43/89/55/753438955.db2.gz LDMGQAQNYIFFKV-SJORKVTESA-N 1 3 320.481 0.731 20 30 DCEDHO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035405 753438958 /nfs/dbraw/zinc/43/89/58/753438958.db2.gz LDMGQAQNYIFFKV-SJORKVTESA-N 1 3 320.481 0.731 20 30 DCEDHO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046035460 753439567 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DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128551527 754085389 /nfs/dbraw/zinc/08/53/89/754085389.db2.gz DMAOXBWXTRZISO-CHWSQXEVSA-N 1 3 316.421 0.063 20 30 DCEDHO C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424134 754269795 /nfs/dbraw/zinc/26/97/95/754269795.db2.gz ACHNZJDNCAPOTO-HOTGVXAUSA-N 1 3 321.465 0.942 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128782778 754282355 /nfs/dbraw/zinc/28/23/55/754282355.db2.gz BRGOJRJFNAYGAL-KGLIPLIRSA-N 1 3 310.442 0.257 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128782778 754282363 /nfs/dbraw/zinc/28/23/63/754282363.db2.gz BRGOJRJFNAYGAL-KGLIPLIRSA-N 1 3 310.442 0.257 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](O)C1 ZINC001090260642 754821941 /nfs/dbraw/zinc/82/19/41/754821941.db2.gz IVHWHFOYJLBUJY-HZPDHXFCSA-N 1 3 321.465 0.826 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](O)C1 ZINC001090260642 754821946 /nfs/dbraw/zinc/82/19/46/754821946.db2.gz IVHWHFOYJLBUJY-HZPDHXFCSA-N 1 3 321.465 0.826 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)CC1 ZINC001049921507 755448019 /nfs/dbraw/zinc/44/80/19/755448019.db2.gz WSMTXAJMSZIFJO-IAGOWNOFSA-N 1 3 319.449 0.389 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCO)CC1 ZINC001049921507 755448022 /nfs/dbraw/zinc/44/80/22/755448022.db2.gz WSMTXAJMSZIFJO-IAGOWNOFSA-N 1 3 319.449 0.389 20 30 DCEDHO C[NH+](C)CCOCC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001147841289 767857511 /nfs/dbraw/zinc/85/75/11/767857511.db2.gz CYNVIWFLPNGZDY-UHFFFAOYSA-N 1 3 322.384 0.481 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070505852 761281152 /nfs/dbraw/zinc/28/11/52/761281152.db2.gz LTNWURYYWQELNR-NUEKZKHPSA-N 1 3 319.453 0.830 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449873 762938107 /nfs/dbraw/zinc/93/81/07/762938107.db2.gz QUFMOLAVYSLQAA-MRXNPFEDSA-N 1 3 322.453 0.233 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856201 763026809 /nfs/dbraw/zinc/02/68/09/763026809.db2.gz OGBJCLWUJQNZFL-KGLIPLIRSA-N 1 3 310.442 0.257 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856201 763026814 /nfs/dbraw/zinc/02/68/14/763026814.db2.gz OGBJCLWUJQNZFL-KGLIPLIRSA-N 1 3 310.442 0.257 20 30 DCEDHO C#CCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](O)C1 ZINC001100013312 763217108 /nfs/dbraw/zinc/21/71/08/763217108.db2.gz LGDDIQPATHVBCW-LSDHHAIUSA-N 1 3 309.454 0.539 20 30 DCEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](O)C1 ZINC001100013312 763217117 /nfs/dbraw/zinc/21/71/17/763217117.db2.gz LGDDIQPATHVBCW-LSDHHAIUSA-N 1 3 309.454 0.539 20 30 DCEDHO COCC#CCNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556610 763381797 /nfs/dbraw/zinc/38/17/97/763381797.db2.gz PADDYVFGMITFSF-UHFFFAOYSA-N 1 3 304.394 0.264 20 30 DCEDHO CC#CCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131067986 763627854 /nfs/dbraw/zinc/62/78/54/763627854.db2.gz GEDJSUHKWKJOJU-HUUCEWRRSA-N 1 3 317.437 0.279 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cncn1C ZINC001131115738 763651709 /nfs/dbraw/zinc/65/17/09/763651709.db2.gz YHRCBOBCJACJCZ-HUUCEWRRSA-N 1 3 319.453 0.832 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001101035908 763930767 /nfs/dbraw/zinc/93/07/67/763930767.db2.gz DMCVRXRBSHWUSY-JCYILVPMSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CC[N@@H+](CCO)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001098478760 764324756 /nfs/dbraw/zinc/32/47/56/764324756.db2.gz CJAIKGOHQRQGPT-OAHLLOKOSA-N 1 3 309.454 0.942 20 30 DCEDHO C=CC[N@H+](CCO)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001098478760 764324765 /nfs/dbraw/zinc/32/47/65/764324765.db2.gz CJAIKGOHQRQGPT-OAHLLOKOSA-N 1 3 309.454 0.942 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132886327 764707578 /nfs/dbraw/zinc/70/75/78/764707578.db2.gz JKWLVPBZSUXYKZ-KKUMJFAQSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132886327 764707588 /nfs/dbraw/zinc/70/75/88/764707588.db2.gz JKWLVPBZSUXYKZ-KKUMJFAQSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994862 764781887 /nfs/dbraw/zinc/78/18/87/764781887.db2.gz FHIFXUBJNDAKMU-UHFFFAOYSA-N 1 3 322.453 0.235 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135505 764840643 /nfs/dbraw/zinc/84/06/43/764840643.db2.gz SOCYRFBWRBIIJF-CABCVRRESA-N 1 3 318.421 0.676 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134613100 765590546 /nfs/dbraw/zinc/59/05/46/765590546.db2.gz SDAGUAJJMXNRSQ-LSDHHAIUSA-N 1 3 309.454 0.993 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743904 766085078 /nfs/dbraw/zinc/08/50/78/766085078.db2.gz RHDAZSBXPKHJSU-KGLIPLIRSA-N 1 3 312.458 0.503 20 30 DCEDHO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086763200 766093267 /nfs/dbraw/zinc/09/32/67/766093267.db2.gz XPNXQESPCCPGTM-CFFMVQJASA-N 1 3 317.433 0.357 20 30 DCEDHO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842834 768402650 /nfs/dbraw/zinc/40/26/50/768402650.db2.gz RMCCFSFBKZEWLP-MYPHYYIGSA-N 1 3 317.433 0.167 20 30 DCEDHO C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842834 768402654 /nfs/dbraw/zinc/40/26/54/768402654.db2.gz RMCCFSFBKZEWLP-MYPHYYIGSA-N 1 3 317.433 0.167 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@@H](CCCC)C(N)=O)CC1 ZINC001152329808 769529646 /nfs/dbraw/zinc/52/96/46/769529646.db2.gz BJKWMZJRFYQCHI-HNNXBMFYSA-N 1 3 322.453 0.082 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152472030 769571825 /nfs/dbraw/zinc/57/18/25/769571825.db2.gz PRHGHYZWCXERAC-LSDHHAIUSA-N 1 3 324.469 0.503 20 30 DCEDHO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754057 770168987 /nfs/dbraw/zinc/16/89/87/770168987.db2.gz QMDZHPQSFHPFJP-OAHLLOKOSA-N 1 3 324.469 0.341 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCOCC)CC1 ZINC001176925965 770225645 /nfs/dbraw/zinc/22/56/45/770225645.db2.gz FJPNELUJOBDYLC-UHFFFAOYSA-N 1 3 309.454 0.854 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731420 770848428 /nfs/dbraw/zinc/84/84/28/770848428.db2.gz WGOHNNLDSKBJKC-BARDWOONSA-N 1 3 322.453 0.208 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731420 770848442 /nfs/dbraw/zinc/84/84/42/770848442.db2.gz WGOHNNLDSKBJKC-BARDWOONSA-N 1 3 322.453 0.208 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179983403 771043541 /nfs/dbraw/zinc/04/35/41/771043541.db2.gz ZZYWXNMHUPTIKN-KBPBESRZSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC12CCOCC2 ZINC001186410177 772039418 /nfs/dbraw/zinc/03/94/18/772039418.db2.gz PETLTKIZJITQKL-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CC12CCOCC2 ZINC001186505045 772048667 /nfs/dbraw/zinc/04/86/67/772048667.db2.gz PETLTKIZJITQKL-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231303 772150144 /nfs/dbraw/zinc/15/01/44/772150144.db2.gz ISTAGNQDPHJXNR-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187307147 772172957 /nfs/dbraw/zinc/17/29/57/772172957.db2.gz WPJHJFKOVRXVAJ-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191430621 772767177 /nfs/dbraw/zinc/76/71/77/772767177.db2.gz GGOMHZLEZIMCAE-GARNVTTQSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191430621 772767179 /nfs/dbraw/zinc/76/71/79/772767179.db2.gz GGOMHZLEZIMCAE-GARNVTTQSA-N 1 3 319.449 0.958 20 30 DCEDHO CC[C@H](C(=O)N1CCC(C[NH2+]CC#CCOC)CC1)N(C)C ZINC001205516252 772997613 /nfs/dbraw/zinc/99/76/13/772997613.db2.gz VOYYYENJBSQWGH-MRXNPFEDSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434912 773460799 /nfs/dbraw/zinc/46/07/99/773460799.db2.gz ISVCZHRJWXCPIH-HUUCEWRRSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CC[NH+](CC=C)CCN1CCN(CCN2CCOCC2)CC1 ZINC001209293819 773586616 /nfs/dbraw/zinc/58/66/16/773586616.db2.gz QNKUCJSDBOPGKR-UHFFFAOYSA-N 1 3 322.497 0.610 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643736 773629637 /nfs/dbraw/zinc/62/96/37/773629637.db2.gz WGOSYYZWHXHDJU-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210495322 773715324 /nfs/dbraw/zinc/71/53/24/773715324.db2.gz ZANXNBJZPXAEOT-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210495322 773715327 /nfs/dbraw/zinc/71/53/27/773715327.db2.gz ZANXNBJZPXAEOT-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152340693 773758509 /nfs/dbraw/zinc/75/85/09/773758509.db2.gz UOKSJDIULQXJPS-HNNXBMFYSA-N 1 3 322.453 0.355 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200527883 774361685 /nfs/dbraw/zinc/36/16/85/774361685.db2.gz BRZQJNJOEKEMBI-SJORKVTESA-N 1 3 319.449 0.559 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2CCC)CCCO1 ZINC001200636321 774382412 /nfs/dbraw/zinc/38/24/12/774382412.db2.gz YAFUYRBFJKNZGI-HOTGVXAUSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483071 774520824 /nfs/dbraw/zinc/52/08/24/774520824.db2.gz KPZAMATZIOYPKZ-OAHLLOKOSA-N 1 3 322.409 0.362 20 30 DCEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC(=NC#N)c1ccncc1 ZINC001219972609 774659241 /nfs/dbraw/zinc/65/92/41/774659241.db2.gz SATKHWJWIOWZRF-AWEZNQCLSA-N 1 3 316.409 0.921 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCO)CC1 ZINC001230251926 776269074 /nfs/dbraw/zinc/26/90/74/776269074.db2.gz QPOAOPIYTLKDGS-IAGOWNOFSA-N 1 3 321.465 0.731 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278292427 945210012 /nfs/dbraw/zinc/21/00/12/945210012.db2.gz FOZBMWLGYZSOBR-HIFRSBDPSA-N 1 3 322.453 0.209 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001266802200 939240761 /nfs/dbraw/zinc/24/07/61/939240761.db2.gz XMDZDOIOKYYPBS-HZPDHXFCSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCOC)CC1 ZINC001282239955 940025861 /nfs/dbraw/zinc/02/58/61/940025861.db2.gz AEULPRAOOIBESV-HUUCEWRRSA-N 1 3 309.454 0.851 20 30 DCEDHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1)N(C)C ZINC001482020775 940208442 /nfs/dbraw/zinc/20/84/42/940208442.db2.gz LLFHXIOOZIYJAO-JYJNAYRXSA-N 1 3 309.454 0.993 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268583107 940266965 /nfs/dbraw/zinc/26/69/65/940266965.db2.gz STKYHOGMJXNGBI-UDLYIEAKSA-N 1 3 307.438 0.629 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268583107 940266968 /nfs/dbraw/zinc/26/69/68/940266968.db2.gz STKYHOGMJXNGBI-UDLYIEAKSA-N 1 3 307.438 0.629 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270129836 940840822 /nfs/dbraw/zinc/84/08/22/940840822.db2.gz VDISLPPCSGJATG-HNNXBMFYSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001270193156 940852765 /nfs/dbraw/zinc/85/27/65/940852765.db2.gz HDYNKAYSQBTNSW-LSDHHAIUSA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270358563 940886880 /nfs/dbraw/zinc/88/68/80/940886880.db2.gz KTNZFMGCXOQRCK-HNNXBMFYSA-N 1 3 309.454 0.635 20 30 DCEDHO COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001271530600 941395644 /nfs/dbraw/zinc/39/56/44/941395644.db2.gz IZTHVLGUQMUJPG-KGLIPLIRSA-N 1 3 304.394 0.429 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CC2CC(C)C2)CC1 ZINC001482800180 941674650 /nfs/dbraw/zinc/67/46/50/941674650.db2.gz UMFIQKFQMGTLOR-VMBOVVBDSA-N 1 3 321.465 0.444 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929827 941715562 /nfs/dbraw/zinc/71/55/62/941715562.db2.gz LMEBNIJOCSRZHD-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482929827 941715566 /nfs/dbraw/zinc/71/55/66/941715566.db2.gz LMEBNIJOCSRZHD-MRXNPFEDSA-N 1 3 309.454 0.949 20 30 DCEDHO COCC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001483600195 942451867 /nfs/dbraw/zinc/45/18/67/942451867.db2.gz GBKJBSKRAKVBGY-HOTGVXAUSA-N 1 3 309.454 0.707 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483762804 942920674 /nfs/dbraw/zinc/92/06/74/942920674.db2.gz YNEARGZZYXRFOC-GJZGRUSLSA-N 1 3 307.438 0.605 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001483762804 942920679 /nfs/dbraw/zinc/92/06/79/942920679.db2.gz YNEARGZZYXRFOC-GJZGRUSLSA-N 1 3 307.438 0.605 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484854694 943601629 /nfs/dbraw/zinc/60/16/29/943601629.db2.gz WGMDXVUAQJYZHR-GOSISDBHSA-N 1 3 321.465 0.829 20 30 DCEDHO C=CCOCCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580279 944013348 /nfs/dbraw/zinc/01/33/48/944013348.db2.gz FMKYWOJTWYIVRY-CABCVRRESA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCOCCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580279 944013351 /nfs/dbraw/zinc/01/33/51/944013351.db2.gz FMKYWOJTWYIVRY-CABCVRRESA-N 1 3 309.454 0.967 20 30 DCEDHO CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001276777567 944294984 /nfs/dbraw/zinc/29/49/84/944294984.db2.gz DREYXWSFFLPYDE-GOEBONIOSA-N 1 3 307.438 0.700 20 30 DCEDHO COCC#CC[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001485938758 944421331 /nfs/dbraw/zinc/42/13/31/944421331.db2.gz SCYSDYPPYNXHOG-MRXNPFEDSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CCN(CC#C)CC2)C1 ZINC001486221532 944659975 /nfs/dbraw/zinc/65/99/75/944659975.db2.gz SVPXHMYFTJPMJW-DOTOQJQBSA-N 1 3 301.434 0.839 20 30 DCEDHO C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001317290662 944899982 /nfs/dbraw/zinc/89/99/82/944899982.db2.gz FMAXGKJCSXMIMU-CABCVRRESA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001273180580 945678855 /nfs/dbraw/zinc/67/88/55/945678855.db2.gz SWCRCQMLPSICJK-AWEZNQCLSA-N 1 3 322.453 0.259 20 30 DCEDHO C=CCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001273180580 945678860 /nfs/dbraw/zinc/67/88/60/945678860.db2.gz SWCRCQMLPSICJK-AWEZNQCLSA-N 1 3 322.453 0.259 20 30 DCEDHO C#CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001251897221 945811401 /nfs/dbraw/zinc/81/14/01/945811401.db2.gz VUDXZUKIFGFEAE-GOSISDBHSA-N 1 3 317.433 0.894 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@H](C)OC)CC1 ZINC001273205015 945827378 /nfs/dbraw/zinc/82/73/78/945827378.db2.gz RDEDPXPZKQCAIQ-GJZGRUSLSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CCC[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252598816 945971299 /nfs/dbraw/zinc/97/12/99/945971299.db2.gz RTFZHXIJKLBBFO-TWMKSMIVSA-N 1 3 319.453 1.000 20 30 DCEDHO C=CCC[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252598816 945971309 /nfs/dbraw/zinc/97/13/09/945971309.db2.gz RTFZHXIJKLBBFO-TWMKSMIVSA-N 1 3 319.453 1.000 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001273298028 946445595 /nfs/dbraw/zinc/44/55/95/946445595.db2.gz HDJVPRADKTXJFO-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001273299521 946449816 /nfs/dbraw/zinc/44/98/16/946449816.db2.gz DZGNJKMAJZEWDA-HNNXBMFYSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCO1 ZINC001273323481 946629454 /nfs/dbraw/zinc/62/94/54/946629454.db2.gz NTGQRILVGFPVHE-JKSUJKDBSA-N 1 3 307.438 0.700 20 30 DCEDHO O=C(C#CC1CC[NH2+]CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC001327933813 948668397 /nfs/dbraw/zinc/66/83/97/948668397.db2.gz ZVLQOEKXJBSWSB-INIZCTEOSA-N 1 3 305.422 0.359 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001280462519 950885576 /nfs/dbraw/zinc/88/55/76/950885576.db2.gz WXGUUMHATXEOAR-OAHLLOKOSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001335425912 952534533 /nfs/dbraw/zinc/53/45/33/952534533.db2.gz JTXLTUZBVRZAGU-QGZVFWFLSA-N 1 3 303.406 0.515 20 30 DCEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001341697700 953245242 /nfs/dbraw/zinc/24/52/42/953245242.db2.gz UURTYIDFZRWBDL-OAHLLOKOSA-N 1 3 324.469 0.683 20 30 DCEDHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001367625549 958208840 /nfs/dbraw/zinc/20/88/40/958208840.db2.gz SWSCPQHMUSEWBA-JKSUJKDBSA-N 1 3 318.421 0.465 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001502594862 1015988948 /nfs/dbraw/zinc/98/89/48/1015988948.db2.gz DXIAVEDKTHHJGD-GOSISDBHSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001500018698 1018175512 /nfs/dbraw/zinc/17/55/12/1018175512.db2.gz NAIDNLLEZUKNIC-HZPDHXFCSA-N 1 3 321.465 0.947 20 30 DCEDHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1)N(C)C ZINC001480303975 1018413308 /nfs/dbraw/zinc/41/33/08/1018413308.db2.gz VKLBPXDUPCTJNJ-CVEARBPZSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480476268 1018572730 /nfs/dbraw/zinc/57/27/30/1018572730.db2.gz XGTMORCFDYUNPV-STQMWFEESA-N 1 3 310.442 0.256 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001500736629 1018618982 /nfs/dbraw/zinc/61/89/82/1018618982.db2.gz VWZYULLTRAHNSI-WMZOPIPTSA-N 1 3 321.465 0.826 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001500736629 1018618986 /nfs/dbraw/zinc/61/89/86/1018618986.db2.gz VWZYULLTRAHNSI-WMZOPIPTSA-N 1 3 321.465 0.826 20 30 DCEDHO COC[C@H](C)NC(=[NH2+])NCc1ccnc(OCCN(C)C)c1 ZINC000270546641 238275263 /nfs/dbraw/zinc/27/52/63/238275263.db2.gz FANCBBQXJOJIHS-LBPRGKRZSA-N 1 3 309.414 0.461 20 30 DCEDHO C#CCNC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000491782514 533161950 /nfs/dbraw/zinc/16/19/50/533161950.db2.gz MNWYVIOTVOCAJD-XYPWUTKMSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCNC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000491782514 533161958 /nfs/dbraw/zinc/16/19/58/533161958.db2.gz MNWYVIOTVOCAJD-XYPWUTKMSA-N 1 3 307.438 0.700 20 30 DCEDHO CC(C)(C#N)C[C@@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721353 397284450 /nfs/dbraw/zinc/28/44/50/397284450.db2.gz VMTONIIXBWFBQL-UONOGXRCSA-N 1 3 310.442 0.464 20 30 DCEDHO CC(C)(C#N)C[C@@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721353 397284454 /nfs/dbraw/zinc/28/44/54/397284454.db2.gz VMTONIIXBWFBQL-UONOGXRCSA-N 1 3 310.442 0.464 20 30 DCEDHO N#CC1(C[C@@H](O)C[NH2+]CC(=O)NCCN2CCCCC2)CC1 ZINC001647563445 1172973754 /nfs/dbraw/zinc/97/37/54/1172973754.db2.gz DBQULJNAWQSADJ-CQSZACIVSA-N 1 3 308.426 0.233 20 30 DCEDHO CN1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000329639404 416182475 /nfs/dbraw/zinc/18/24/75/416182475.db2.gz WPAZFUDLTDYPQN-UHFFFAOYSA-N 1 3 323.441 0.191 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000419723451 416406539 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C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC000981542438 661169425 /nfs/dbraw/zinc/16/94/25/661169425.db2.gz UPJWNLZXMPDDGW-HOTGVXAUSA-N 1 3 307.438 0.341 20 30 DCEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244486 657489478 /nfs/dbraw/zinc/48/94/78/657489478.db2.gz KDOZRUYVMVSOSA-HNNXBMFYSA-N 1 3 307.438 0.818 20 30 DCEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244486 657489490 /nfs/dbraw/zinc/48/94/90/657489490.db2.gz KDOZRUYVMVSOSA-HNNXBMFYSA-N 1 3 307.438 0.818 20 30 DCEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968817 658103928 /nfs/dbraw/zinc/10/39/28/658103928.db2.gz IEVPDLMHHJRMKX-BNQMIIOLSA-N 1 3 319.449 0.958 20 30 DCEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968817 658103930 /nfs/dbraw/zinc/10/39/30/658103930.db2.gz IEVPDLMHHJRMKX-BNQMIIOLSA-N 1 3 319.449 0.958 20 30 DCEDHO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970191020 658717598 /nfs/dbraw/zinc/71/75/98/658717598.db2.gz PVLWLHKHTJQNLO-QBPRILJRSA-N 1 3 317.433 0.309 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)CC1 ZINC000941237570 665954288 /nfs/dbraw/zinc/95/42/88/665954288.db2.gz PDMFRMTXFTXJOZ-INIZCTEOSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)CC1 ZINC000941237570 665954290 /nfs/dbraw/zinc/95/42/90/665954290.db2.gz PDMFRMTXFTXJOZ-INIZCTEOSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@@H]2C)CC1 ZINC000994495752 665116545 /nfs/dbraw/zinc/11/65/45/665116545.db2.gz GRYVWCOGUYXZAS-WBVHZDCISA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC000994495752 665116546 /nfs/dbraw/zinc/11/65/46/665116546.db2.gz GRYVWCOGUYXZAS-WBVHZDCISA-N 1 3 321.465 0.683 20 30 DCEDHO C#C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820087047 671164413 /nfs/dbraw/zinc/16/44/13/671164413.db2.gz PJABJNNOGJOWSY-GJZGRUSLSA-N 1 3 310.442 0.302 20 30 DCEDHO C#C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820087047 671164415 /nfs/dbraw/zinc/16/44/15/671164415.db2.gz PJABJNNOGJOWSY-GJZGRUSLSA-N 1 3 310.442 0.302 20 30 DCEDHO C[NH+]=C(NCCN(C(C)C)C(C)C)NCCN1CCOCC1 ZINC000303697858 685206503 /nfs/dbraw/zinc/20/65/03/685206503.db2.gz FXHROCLPGURGQW-UHFFFAOYSA-N 1 3 313.490 0.602 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC000958723226 687875522 /nfs/dbraw/zinc/87/55/22/687875522.db2.gz DPPBRMGCJYPISC-SJORKVTESA-N 1 3 321.465 0.397 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC000958723226 687875534 /nfs/dbraw/zinc/87/55/34/687875534.db2.gz DPPBRMGCJYPISC-SJORKVTESA-N 1 3 321.465 0.397 20 30 DCEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961279164 688586261 /nfs/dbraw/zinc/58/62/61/688586261.db2.gz HSRMTNQBGGJLGU-ZBKZBXIDSA-N 1 3 317.433 0.472 20 30 DCEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961279164 688586263 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0.947 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001569567565 1161151125 /nfs/dbraw/zinc/15/11/25/1161151125.db2.gz YVFSMZUJJHVSDA-LSDHHAIUSA-N 1 3 322.453 0.045 20 30 DCEDHO CC#CCN[C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570294457 1161549967 /nfs/dbraw/zinc/54/99/67/1161549967.db2.gz VLKBEXWHTCNXPO-RDJZCZTQSA-N 1 3 309.454 0.539 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001570370070 1161583653 /nfs/dbraw/zinc/58/36/53/1161583653.db2.gz NVMGFQNGWVPBKI-CQSZACIVSA-N 1 3 322.453 0.354 20 30 DCEDHO N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001647375588 1172850879 /nfs/dbraw/zinc/85/08/79/1172850879.db2.gz XGTSQOOAYWQYPN-IOSBVQAASA-N 1 3 302.422 0.917 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001667338948 1174675816 /nfs/dbraw/zinc/67/58/16/1174675816.db2.gz OEROWSTUSQUGMN-GJZGRUSLSA-N 1 3 318.421 0.819 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC(=C)C)CC1 ZINC001667939091 1174736132 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PMVJBYFKPSHPQW-USXIJHARSA-N 1 3 319.449 0.245 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)CC1 ZINC001098461316 762677370 /nfs/dbraw/zinc/67/73/70/762677370.db2.gz WEADULWZPLCNHW-ZACQAIPSSA-N 1 3 319.449 0.436 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)CC1 ZINC001098461316 762677372 /nfs/dbraw/zinc/67/73/72/762677372.db2.gz WEADULWZPLCNHW-ZACQAIPSSA-N 1 3 319.449 0.436 20 30 DCEDHO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052571524 759498927 /nfs/dbraw/zinc/49/89/27/759498927.db2.gz GWJAPHDUADYYRS-LPMVOBIJSA-N 1 3 317.433 0.454 20 30 DCEDHO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052571524 759498936 /nfs/dbraw/zinc/49/89/36/759498936.db2.gz GWJAPHDUADYYRS-LPMVOBIJSA-N 1 3 317.433 0.454 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370438 761097343 /nfs/dbraw/zinc/09/73/43/761097343.db2.gz UMSQTRVAAVBQBO-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370438 761097353 /nfs/dbraw/zinc/09/73/53/761097353.db2.gz UMSQTRVAAVBQBO-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001070277174 761161449 /nfs/dbraw/zinc/16/14/49/761161449.db2.gz HXNHOIHYIQJQLM-RDBSUJKOSA-N 1 3 306.414 0.146 20 30 DCEDHO C=CCN1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129842529 763022444 /nfs/dbraw/zinc/02/24/44/763022444.db2.gz ZKWCTKYUVCIUOB-HUUCEWRRSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCN1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129842529 763022450 /nfs/dbraw/zinc/02/24/50/763022450.db2.gz ZKWCTKYUVCIUOB-HUUCEWRRSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131128201 763661489 /nfs/dbraw/zinc/66/14/89/763661489.db2.gz WOCRAQVTQGKVIH-HUUCEWRRSA-N 1 3 319.453 0.830 20 30 DCEDHO C#CCCN1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681681 763935127 /nfs/dbraw/zinc/93/51/27/763935127.db2.gz GIVZIMFDKLBZDZ-DOTOQJQBSA-N 1 3 307.438 0.653 20 30 DCEDHO C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320702 764597191 /nfs/dbraw/zinc/59/71/91/764597191.db2.gz PEQIYNPFHBJOMS-QLFBSQMISA-N 1 3 324.469 0.313 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783585 765672963 /nfs/dbraw/zinc/67/29/63/765672963.db2.gz ZRRFAMAORKHOIB-ZDUSSCGKSA-N 1 3 310.442 0.115 20 30 DCEDHO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866658 768316021 /nfs/dbraw/zinc/31/60/21/768316021.db2.gz IINHFYDCAZPXHS-CABCVRRESA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090693752 766484061 /nfs/dbraw/zinc/48/40/61/766484061.db2.gz VDRNSUKAYKYLQZ-DLBZAZTESA-N 1 3 321.465 0.682 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830593 766649570 /nfs/dbraw/zinc/64/95/70/766649570.db2.gz NNVRQXMQKJRSCD-IAGOWNOFSA-N 1 3 319.449 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830593 766649572 /nfs/dbraw/zinc/64/95/72/766649572.db2.gz NNVRQXMQKJRSCD-IAGOWNOFSA-N 1 3 319.449 0.293 20 30 DCEDHO C=CCN1CCC(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001121921872 767670075 /nfs/dbraw/zinc/67/00/75/767670075.db2.gz VQYQQBSUCJKQRE-MRXNPFEDSA-N 1 3 306.410 0.652 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001152324365 769527095 /nfs/dbraw/zinc/52/70/95/769527095.db2.gz SJWFUMKVBWUHTA-MRXNPFEDSA-N 1 3 307.438 0.607 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049212 771317457 /nfs/dbraw/zinc/31/74/57/771317457.db2.gz KEACNPWCQLQFFH-AWEZNQCLSA-N 1 3 310.442 0.069 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049212 771317461 /nfs/dbraw/zinc/31/74/61/771317461.db2.gz KEACNPWCQLQFFH-AWEZNQCLSA-N 1 3 310.442 0.069 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240805 771627634 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DCEDHO C[C@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CC[NH2+]C[C@H]1O ZINC001218553113 774246101 /nfs/dbraw/zinc/24/61/01/774246101.db2.gz NIUQZNOSLDEKJU-DOMZBBRYSA-N 1 3 320.418 0.564 20 30 DCEDHO N#Cc1c(NC(=O)[C@H]2C[NH2+]CC[C@H]2O)sc2c1CCNC2 ZINC001218552465 774246302 /nfs/dbraw/zinc/24/63/02/774246302.db2.gz GNFQMLPQGBAYDT-WDEREUQCSA-N 1 3 306.391 0.174 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219736781 774594237 /nfs/dbraw/zinc/59/42/37/774594237.db2.gz HHJALWAVDHZFKA-HUUCEWRRSA-N 1 3 314.389 0.443 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531776 774886339 /nfs/dbraw/zinc/88/63/39/774886339.db2.gz OJBKIOBEMAPHFY-ZFWWWQNUSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114832354 776203076 /nfs/dbraw/zinc/20/30/76/776203076.db2.gz PYVBVDSAHVDORJ-AIANPOQGSA-N 1 3 307.438 0.577 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114832354 776203078 /nfs/dbraw/zinc/20/30/78/776203078.db2.gz PYVBVDSAHVDORJ-AIANPOQGSA-N 1 3 307.438 0.577 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001278024463 945101371 /nfs/dbraw/zinc/10/13/71/945101371.db2.gz FCUNGBDGNOLUBC-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001278184710 945170212 /nfs/dbraw/zinc/17/02/12/945170212.db2.gz QVHXSYFTVUWERP-HNNXBMFYSA-N 1 3 307.438 0.247 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267372321 939438803 /nfs/dbraw/zinc/43/88/03/939438803.db2.gz LSCYWAVAYKYUEK-HUUCEWRRSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267372321 939438804 /nfs/dbraw/zinc/43/88/04/939438804.db2.gz LSCYWAVAYKYUEK-HUUCEWRRSA-N 1 3 324.469 0.598 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267569266 939504312 /nfs/dbraw/zinc/50/43/12/939504312.db2.gz RVBLNTGASSZXBQ-DLBZAZTESA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267569266 939504313 /nfs/dbraw/zinc/50/43/13/939504313.db2.gz RVBLNTGASSZXBQ-DLBZAZTESA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C[C@H](C)O)C(C)C)CC1 ZINC001481357404 939759181 /nfs/dbraw/zinc/75/91/81/939759181.db2.gz CGPIAWZXXRQAIA-INIZCTEOSA-N 1 3 323.481 0.929 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C[C@H](C)O)C(C)C)CC1 ZINC001481357404 939759184 /nfs/dbraw/zinc/75/91/84/939759184.db2.gz CGPIAWZXXRQAIA-INIZCTEOSA-N 1 3 323.481 0.929 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001268068351 939923298 /nfs/dbraw/zinc/92/32/98/939923298.db2.gz LJPKWOGCHMMSMX-UONOGXRCSA-N 1 3 324.469 0.598 20 30 DCEDHO COCC#CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001268220023 939993699 /nfs/dbraw/zinc/99/36/99/939993699.db2.gz REPBFAUFKRADGV-HZPDHXFCSA-N 1 3 309.454 0.708 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001482438125 941221340 /nfs/dbraw/zinc/22/13/40/941221340.db2.gz BQHUGIKLWOEEEM-CABCVRRESA-N 1 3 324.469 0.455 20 30 DCEDHO COCC#CCNC1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001483793371 942958098 /nfs/dbraw/zinc/95/80/98/942958098.db2.gz CNSFVCDKUDOLGV-UHFFFAOYSA-N 1 3 307.438 0.751 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485018260 943657099 /nfs/dbraw/zinc/65/70/99/943657099.db2.gz BINXIOPAJVSVPR-HUUCEWRRSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485018260 943657101 /nfs/dbraw/zinc/65/71/01/943657101.db2.gz BINXIOPAJVSVPR-HUUCEWRRSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001277398928 944807461 /nfs/dbraw/zinc/80/74/61/944807461.db2.gz VUYGVYZHRZKAML-MRXNPFEDSA-N 1 3 307.438 0.653 20 30 DCEDHO C#CC[N@H+](CCOC)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001277398928 944807466 /nfs/dbraw/zinc/80/74/66/944807466.db2.gz VUYGVYZHRZKAML-MRXNPFEDSA-N 1 3 307.438 0.653 20 30 DCEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001318555476 945401620 /nfs/dbraw/zinc/40/16/20/945401620.db2.gz NCISQHVLUNPCRV-AWEZNQCLSA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320275114 945797524 /nfs/dbraw/zinc/79/75/24/945797524.db2.gz SZZUMKYPHYMEBP-XJKSGUPXSA-N 1 3 315.433 0.842 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320737772 946000311 /nfs/dbraw/zinc/00/03/11/946000311.db2.gz NTFCWSLVHMRFRR-INIZCTEOSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001322544013 946717000 /nfs/dbraw/zinc/71/70/00/946717000.db2.gz RTVQYPSDTUMRBA-CQSZACIVSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538871 947865342 /nfs/dbraw/zinc/86/53/42/947865342.db2.gz JPDGFWICRSSCND-JYJNAYRXSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCNCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001326080559 948044975 /nfs/dbraw/zinc/04/49/75/948044975.db2.gz SLGCOBBGVGTPDN-KRWDZBQOSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCNCCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001326080559 948044985 /nfs/dbraw/zinc/04/49/85/948044985.db2.gz SLGCOBBGVGTPDN-KRWDZBQOSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987938 948353602 /nfs/dbraw/zinc/35/36/02/948353602.db2.gz HIKULWDZCQCWFD-IAGOWNOFSA-N 1 3 319.449 0.844 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001326987938 948353607 /nfs/dbraw/zinc/35/36/07/948353607.db2.gz HIKULWDZCQCWFD-IAGOWNOFSA-N 1 3 319.449 0.844 20 30 DCEDHO N#Cc1cccc(NC(=O)CC[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC001328400870 948877720 /nfs/dbraw/zinc/87/77/20/948877720.db2.gz MTRVTOBCZZPFKQ-INIZCTEOSA-N 1 3 316.405 0.933 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001265630872 949826648 /nfs/dbraw/zinc/82/66/48/949826648.db2.gz ROUDMCJOTHOWLE-LSDHHAIUSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001265947441 950179200 /nfs/dbraw/zinc/17/92/00/950179200.db2.gz LLXFVOAFKVHOMW-LSDHHAIUSA-N 1 3 322.453 0.304 20 30 DCEDHO CC#CC[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001281637836 951570049 /nfs/dbraw/zinc/57/00/49/951570049.db2.gz YUOHDOWQLFFQHB-OAHLLOKOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC2(CC[NH+](C[C@H](O)CN(CC)CC)CC2)C1=O ZINC001274654863 951771436 /nfs/dbraw/zinc/77/14/36/951771436.db2.gz GRPTZZXIBPEMEM-MRXNPFEDSA-N 1 3 321.465 0.637 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274893765 951876679 /nfs/dbraw/zinc/87/66/79/951876679.db2.gz BEJHVTLBLHFTHP-RDBSUJKOSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001274893765 951876688 /nfs/dbraw/zinc/87/66/88/951876688.db2.gz BEJHVTLBLHFTHP-RDBSUJKOSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001335425910 952534590 /nfs/dbraw/zinc/53/45/90/952534590.db2.gz JTXLTUZBVRZAGU-KRWDZBQOSA-N 1 3 303.406 0.515 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(CO)CC[NH+](C(C)C)CC2)CC1 ZINC001281820440 953374227 /nfs/dbraw/zinc/37/42/27/953374227.db2.gz DWEGJFKTMLSVOB-UHFFFAOYSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503003911 1016145538 /nfs/dbraw/zinc/14/55/38/1016145538.db2.gz UFBXVABOARCHOU-LSDHHAIUSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC#CC)[C@H]2C)CC1 ZINC001507300302 1016230307 /nfs/dbraw/zinc/23/03/07/1016230307.db2.gz ZMSOEDPBGWUZEJ-NVXWUHKLSA-N 1 3 301.434 0.934 20 30 DCEDHO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001507727944 1016555422 /nfs/dbraw/zinc/55/54/22/1016555422.db2.gz LEKBOJLCBYZUDZ-CVEARBPZSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001507727944 1016555433 /nfs/dbraw/zinc/55/54/33/1016555433.db2.gz LEKBOJLCBYZUDZ-CVEARBPZSA-N 1 3 309.454 0.635 20 30 DCEDHO C=C(C[NH+](C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001442975334 1009990914 /nfs/dbraw/zinc/99/09/14/1009990914.db2.gz QBGPUXWKBGLCAB-AWEZNQCLSA-N 1 3 310.442 0.163 20 30 DCEDHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001422419566 1010055925 /nfs/dbraw/zinc/05/59/25/1010055925.db2.gz NSFFKHCFENCRKC-MRXNPFEDSA-N 1 3 318.421 0.465 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)CC1 ZINC001497117095 1017885598 /nfs/dbraw/zinc/88/55/98/1017885598.db2.gz FFJNKMRCJOICMY-INIZCTEOSA-N 1 3 307.438 0.198 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+][C@H](C)COC)C2CC2)CC1 ZINC001480066940 1018178585 /nfs/dbraw/zinc/17/85/85/1018178585.db2.gz SZWGXVPBYXUMEC-PBHICJAKSA-N 1 3 321.465 0.851 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001480142693 1018249226 /nfs/dbraw/zinc/24/92/26/1018249226.db2.gz TWNFKOGMYYOPOA-IHRRRGAJSA-N 1 3 322.453 0.398 20 30 DCEDHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1)N(C)C ZINC001480303977 1018413118 /nfs/dbraw/zinc/41/31/18/1018413118.db2.gz VKLBPXDUPCTJNJ-HOTGVXAUSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001480708876 1018795665 /nfs/dbraw/zinc/79/56/65/1018795665.db2.gz HYKYVTDPCRFUEF-HUUCEWRRSA-N 1 3 324.469 0.646 20 30 DCEDHO C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000329670785 396848031 /nfs/dbraw/zinc/84/80/31/396848031.db2.gz RVAWJYFJAKYUTL-AWEZNQCLSA-N 1 3 311.474 0.468 20 30 DCEDHO C#CCNC(=O)CCN[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000491120721 397499871 /nfs/dbraw/zinc/49/98/71/397499871.db2.gz NARYLHXTTJFTIS-CVEARBPZSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCNC(=O)CCN[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000491120721 397499874 /nfs/dbraw/zinc/49/98/74/397499874.db2.gz NARYLHXTTJFTIS-CVEARBPZSA-N 1 3 309.454 0.853 20 30 DCEDHO CN1CCC(O)(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329513396 416172461 /nfs/dbraw/zinc/17/24/61/416172461.db2.gz LLAWEGQUOZTGAZ-CYBMUJFWSA-N 1 3 310.442 0.431 20 30 DCEDHO CN1CCC(O)(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329513396 416172467 /nfs/dbraw/zinc/17/24/67/416172467.db2.gz LLAWEGQUOZTGAZ-CYBMUJFWSA-N 1 3 310.442 0.431 20 30 DCEDHO C=CC[C@]1(C(=O)NCCCN2CCN(CC)CC2)CCC[NH2+]1 ZINC000662758734 417894387 /nfs/dbraw/zinc/89/43/87/417894387.db2.gz SGOAXYQUQRCTQO-QGZVFWFLSA-N 1 3 308.470 0.829 20 30 DCEDHO C[C@@H]1C[C@H](O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000329951334 336099254 /nfs/dbraw/zinc/09/92/54/336099254.db2.gz CLTYRPHMBQOTJQ-CJNGLKHVSA-N 1 3 324.469 0.914 20 30 DCEDHO COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001569968798 1161360939 /nfs/dbraw/zinc/36/09/39/1161360939.db2.gz OTUBYXUUEASMSA-HOTGVXAUSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCNC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000264110577 526387928 /nfs/dbraw/zinc/38/79/28/526387928.db2.gz QRSONFQPFVEGRZ-UHFFFAOYSA-N 1 3 303.410 0.568 20 30 DCEDHO C=CCN1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262236996 526419857 /nfs/dbraw/zinc/41/98/57/526419857.db2.gz KQUJPNSPZNECOP-UHFFFAOYSA-N 1 3 317.437 0.728 20 30 DCEDHO COCC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001673946978 1175242932 /nfs/dbraw/zinc/24/29/32/1175242932.db2.gz UTHXLWRFCOQVHF-OAHLLOKOSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970717224 657825534 /nfs/dbraw/zinc/82/55/34/657825534.db2.gz LTFOEGIEURRRLP-HUUCEWRRSA-N 1 3 320.437 0.060 20 30 DCEDHO C#CCN1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640755 658091068 /nfs/dbraw/zinc/09/10/68/658091068.db2.gz MJBZOSXQMDNNGT-HNNXBMFYSA-N 1 3 317.437 0.520 20 30 DCEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970168513 658683780 /nfs/dbraw/zinc/68/37/80/658683780.db2.gz BYNHUJXMJMCWLC-GEMJLEDKSA-N 1 3 319.449 0.862 20 30 DCEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970168513 658683787 /nfs/dbraw/zinc/68/37/87/658683787.db2.gz BYNHUJXMJMCWLC-GEMJLEDKSA-N 1 3 319.449 0.862 20 30 DCEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799059 659565409 /nfs/dbraw/zinc/56/54/09/659565409.db2.gz REMFUFQRYVSGAC-AALSBFMBSA-N 1 3 305.422 0.472 20 30 DCEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799059 659565414 /nfs/dbraw/zinc/56/54/14/659565414.db2.gz REMFUFQRYVSGAC-AALSBFMBSA-N 1 3 305.422 0.472 20 30 DCEDHO CC#CCN1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859862 661854234 /nfs/dbraw/zinc/85/42/34/661854234.db2.gz JJHNSFXNUHDBJA-HNNXBMFYSA-N 1 3 317.437 0.520 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001029004136 661930796 /nfs/dbraw/zinc/93/07/96/661930796.db2.gz TWOUZLCBBGJKAW-OAHLLOKOSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001029004136 661930798 /nfs/dbraw/zinc/93/07/98/661930798.db2.gz TWOUZLCBBGJKAW-OAHLLOKOSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CCC[NH+]1CCC(NC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900798843 663281366 /nfs/dbraw/zinc/28/13/66/663281366.db2.gz PYJKKEQZUQXCRZ-UHFFFAOYSA-N 1 3 317.437 0.662 20 30 DCEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727830 665346840 /nfs/dbraw/zinc/34/68/40/665346840.db2.gz VSPNOIJOJSKXMD-QGZVFWFLSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCCN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727830 665346842 /nfs/dbraw/zinc/34/68/42/665346842.db2.gz VSPNOIJOJSKXMD-QGZVFWFLSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691352525 1157650708 /nfs/dbraw/zinc/65/07/08/1157650708.db2.gz ZNVGYCPJCWEXGS-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691352525 1157650712 /nfs/dbraw/zinc/65/07/12/1157650712.db2.gz ZNVGYCPJCWEXGS-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)CC1 ZINC001034539143 667064868 /nfs/dbraw/zinc/06/48/68/667064868.db2.gz VYVLNKKGJOOJMW-MRXNPFEDSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)CC1 ZINC001034539143 667064869 /nfs/dbraw/zinc/06/48/69/667064869.db2.gz VYVLNKKGJOOJMW-MRXNPFEDSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCO)CC2)CC1 ZINC000997435551 667286859 /nfs/dbraw/zinc/28/68/59/667286859.db2.gz VFMFNSFKYAEQED-OAHLLOKOSA-N 1 3 321.465 0.541 20 30 DCEDHO C[C@H](CNC(=O)C1CC2(C1)CNC[C@H]2C#N)C[NH+]1CCCC1 ZINC000884195652 667495007 /nfs/dbraw/zinc/49/50/07/667495007.db2.gz VFVKHXVSIAZFKN-HCEZTOJASA-N 1 3 304.438 0.974 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884643058 667581104 /nfs/dbraw/zinc/58/11/04/667581104.db2.gz WCIUCGZGZSEVPU-UHFFFAOYSA-N 1 3 322.453 0.483 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884642476 667581318 /nfs/dbraw/zinc/58/13/18/667581318.db2.gz KFGGIKAHIPQACB-HUUCEWRRSA-N 1 3 320.437 0.106 20 30 DCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000876780041 668509468 /nfs/dbraw/zinc/50/94/68/668509468.db2.gz BGLFIELPWHFAFE-STQMWFEESA-N 1 3 302.850 0.599 20 30 DCEDHO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000771655520 668747342 /nfs/dbraw/zinc/74/73/42/668747342.db2.gz ASBXGZZDXZWLNS-HOTGVXAUSA-N 1 3 306.454 0.226 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C2CC[NH+](CCOC)CC2)CC1 ZINC001006437474 670200666 /nfs/dbraw/zinc/20/06/66/670200666.db2.gz DLWVIDPNSIRNET-UHFFFAOYSA-N 1 3 321.465 0.901 20 30 DCEDHO N#CCCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000848421116 670679675 /nfs/dbraw/zinc/67/96/75/670679675.db2.gz AVZDWUKOAQJUOP-CYBMUJFWSA-N 1 3 317.393 0.725 20 30 DCEDHO C[C@@H]1CN(CCCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852861409 671177344 /nfs/dbraw/zinc/17/73/44/671177344.db2.gz UTJKKGHRHNFPBK-IYBDPMFKSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCC[NH+]1CCC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000820196687 671177595 /nfs/dbraw/zinc/17/75/95/671177595.db2.gz HHIQLIKNUIDJIT-HZPDHXFCSA-N 1 3 305.422 0.454 20 30 DCEDHO [NH2+]=C(NCCCN1CCOCC1)NCCN1CCCCCC1 ZINC000303877653 685207476 /nfs/dbraw/zinc/20/74/76/685207476.db2.gz FMLIMHJLMOPKLI-UHFFFAOYSA-N 1 3 311.474 0.489 20 30 DCEDHO C[C@@H]1CCCN(CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303883922 685208040 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CC[C@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1)N(C)C ZINC001571566668 1162812679 /nfs/dbraw/zinc/81/26/79/1162812679.db2.gz XMJPCKYCSDNJOB-HUUCEWRRSA-N 1 3 309.454 0.803 20 30 DCEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566692959 1160131365 /nfs/dbraw/zinc/13/13/65/1160131365.db2.gz NJILJAYJESTFFA-HNNXBMFYSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001569081346 1160937365 /nfs/dbraw/zinc/93/73/65/1160937365.db2.gz IUHGHSAYSLHQNO-KBPBESRZSA-N 1 3 324.469 0.197 20 30 DCEDHO C#CCCN1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569899872 1161304568 /nfs/dbraw/zinc/30/45/68/1161304568.db2.gz DBAVSTLRAOGJMV-SFHVURJKSA-N 1 3 321.465 0.685 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001656204487 1173851114 /nfs/dbraw/zinc/85/11/14/1173851114.db2.gz XKLBFZVKNLQROT-HDJSIYSDSA-N 1 3 322.453 0.257 20 30 DCEDHO CCCN(CC#CCOC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001663683685 1174343304 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C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(CCO)CC1 ZINC001500054608 1018190389 /nfs/dbraw/zinc/19/03/89/1018190389.db2.gz RUJZFJDBNBJJTI-HNNXBMFYSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(CCO)CC1 ZINC001500054608 1018190398 /nfs/dbraw/zinc/19/03/98/1018190398.db2.gz RUJZFJDBNBJJTI-HNNXBMFYSA-N 1 3 307.438 0.247 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480563252 1018660587 /nfs/dbraw/zinc/66/05/87/1018660587.db2.gz WZVBBUSWVGSCGA-AWEZNQCLSA-N 1 3 324.469 0.503 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001501139066 1018916079 /nfs/dbraw/zinc/91/60/79/1018916079.db2.gz CBOOEHUIPKTPDY-KBPBESRZSA-N 1 3 304.394 0.286 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCOC)CC1 ZINC001498455859 1019135978 /nfs/dbraw/zinc/13/59/78/1019135978.db2.gz KWNXHDJLMJJODO-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCOC)CC1 ZINC001498455859 1019135983 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ZINC000417535615 397373286 /nfs/dbraw/zinc/37/32/86/397373286.db2.gz XAJQDDKORJQDSF-UHFFFAOYSA-N 1 3 309.458 0.231 20 30 DCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000491667362 416611144 /nfs/dbraw/zinc/61/11/44/416611144.db2.gz XROSJGMRTDHRKP-UHFFFAOYSA-N 1 3 316.405 0.416 20 30 DCEDHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424147853 416618778 /nfs/dbraw/zinc/61/87/78/416618778.db2.gz SLWCEFTWBZZIKG-HUUCEWRRSA-N 1 3 310.442 0.967 20 30 DCEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652349559 417889126 /nfs/dbraw/zinc/88/91/26/417889126.db2.gz SNMPVNRBVGYLMF-FZKCQIBNSA-N 1 3 307.438 0.992 20 30 DCEDHO C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262494964 276840809 /nfs/dbraw/zinc/84/08/09/276840809.db2.gz WCPGJHSKKMFESN-AWEZNQCLSA-N 1 3 309.458 0.647 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303778040 340346137 /nfs/dbraw/zinc/34/61/37/340346137.db2.gz JHGBTABSAFOIPS-LBPRGKRZSA-N 1 3 313.446 0.900 20 30 DCEDHO C=CCNC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1 ZINC000264105498 526387742 /nfs/dbraw/zinc/38/77/42/526387742.db2.gz PHVHNCZYTVJSDD-UHFFFAOYSA-N 1 3 302.426 0.684 20 30 DCEDHO C#CC[NH2+]C1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001026530096 659382704 /nfs/dbraw/zinc/38/27/04/659382704.db2.gz DKWNNIVBZYGRCN-QFQXCOSMSA-N 1 3 317.433 0.500 20 30 DCEDHO C#CCN1C[C@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC000982736594 661639054 /nfs/dbraw/zinc/63/90/54/661639054.db2.gz PVEWTCWYIDDCTB-CALCHBBNSA-N 1 3 301.434 0.886 20 30 DCEDHO C[NH+]=C(NCc1nncn1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262478595 662406128 /nfs/dbraw/zinc/40/61/28/662406128.db2.gz QUTHFUGESGXPGM-ZDUSSCGKSA-N 1 3 305.430 0.451 20 30 DCEDHO CCO[C@@H](CNC[C@@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580549 663566771 /nfs/dbraw/zinc/56/67/71/663566771.db2.gz OLAWZHWYLZFRAZ-GJZGRUSLSA-N 1 3 313.442 0.614 20 30 DCEDHO CC#CCN1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001426892 666050752 /nfs/dbraw/zinc/05/07/52/666050752.db2.gz XVMKYRPFWNMAGZ-SJORKVTESA-N 1 3 319.449 0.701 20 30 DCEDHO CC#CCN1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001426892 666050754 /nfs/dbraw/zinc/05/07/54/666050754.db2.gz XVMKYRPFWNMAGZ-SJORKVTESA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCCN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083963 666497254 /nfs/dbraw/zinc/49/72/54/666497254.db2.gz CRPJRNVIOMQBCQ-OAHLLOKOSA-N 1 3 317.437 0.614 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033280058 666659951 /nfs/dbraw/zinc/65/99/51/666659951.db2.gz ZVFACSLYXBREGT-GARNVTTQSA-N 1 3 317.433 0.406 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033280058 666659952 /nfs/dbraw/zinc/65/99/52/666659952.db2.gz ZVFACSLYXBREGT-GARNVTTQSA-N 1 3 317.433 0.406 20 30 DCEDHO C=CC[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996814484 666923071 /nfs/dbraw/zinc/92/30/71/666923071.db2.gz VVLYEDHGVWUEKW-GNHJJJEISA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000885865531 667713646 /nfs/dbraw/zinc/71/36/46/667713646.db2.gz HWCKMSZYQJYMBJ-KRWDZBQOSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000885865531 667713650 /nfs/dbraw/zinc/71/36/50/667713650.db2.gz HWCKMSZYQJYMBJ-KRWDZBQOSA-N 1 3 319.449 0.701 20 30 DCEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000876780038 668509380 /nfs/dbraw/zinc/50/93/80/668509380.db2.gz BGLFIELPWHFAFE-CHWSQXEVSA-N 1 3 302.850 0.599 20 30 DCEDHO C#CC[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000854541713 670584214 /nfs/dbraw/zinc/58/42/14/670584214.db2.gz KETSAUGQTFYIPQ-INIZCTEOSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCCN1C(C)C ZINC001672686410 1158726043 /nfs/dbraw/zinc/72/60/43/1158726043.db2.gz POWVDWXKUHAYJO-INIZCTEOSA-N 1 3 309.454 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CCCC)C[C@H]2O)CC1 ZINC000958724575 687876425 /nfs/dbraw/zinc/87/64/25/687876425.db2.gz QHCZXVXILMLHGD-DLBZAZTESA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CCCC)C[C@H]2O)CC1 ZINC000958724575 687876432 /nfs/dbraw/zinc/87/64/32/687876432.db2.gz QHCZXVXILMLHGD-DLBZAZTESA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724577 687877617 /nfs/dbraw/zinc/87/76/17/687877617.db2.gz QHCZXVXILMLHGD-IRXDYDNUSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724577 687877627 /nfs/dbraw/zinc/87/76/27/687877627.db2.gz QHCZXVXILMLHGD-IRXDYDNUSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000962780423 688978641 /nfs/dbraw/zinc/97/86/41/688978641.db2.gz SKFRAJPLAMXCLJ-SIXLDLHFSA-N 1 3 319.449 0.413 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000962780423 688978643 /nfs/dbraw/zinc/97/86/43/688978643.db2.gz SKFRAJPLAMXCLJ-SIXLDLHFSA-N 1 3 319.449 0.413 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001009627385 691077404 /nfs/dbraw/zinc/07/74/04/691077404.db2.gz LNMMJVSKOFKDIX-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001009627385 691077406 /nfs/dbraw/zinc/07/74/06/691077406.db2.gz LNMMJVSKOFKDIX-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015322986 692263593 /nfs/dbraw/zinc/26/35/93/692263593.db2.gz GLBHDFVLEKVBOB-GYMHETDLSA-N 1 3 305.422 0.616 20 30 DCEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015322986 692263595 /nfs/dbraw/zinc/26/35/95/692263595.db2.gz GLBHDFVLEKVBOB-GYMHETDLSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001016330472 692654403 /nfs/dbraw/zinc/65/44/03/692654403.db2.gz GSECATUKCQYXEU-DOTOQJQBSA-N 1 3 319.449 0.559 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001016330472 692654407 /nfs/dbraw/zinc/65/44/07/692654407.db2.gz GSECATUKCQYXEU-DOTOQJQBSA-N 1 3 319.449 0.559 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1 ZINC001016337160 692656271 /nfs/dbraw/zinc/65/62/71/692656271.db2.gz POFPYVHBFBVBIB-IRXDYDNUSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001016337160 692656274 /nfs/dbraw/zinc/65/62/74/692656274.db2.gz POFPYVHBFBVBIB-IRXDYDNUSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001571490185 1162780209 /nfs/dbraw/zinc/78/02/09/1162780209.db2.gz ANTULCNDMVIUDD-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1)N(C)C ZINC001571566669 1162812195 /nfs/dbraw/zinc/81/21/95/1162812195.db2.gz XMJPCKYCSDNJOB-LSDHHAIUSA-N 1 3 309.454 0.803 20 30 DCEDHO COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001670469755 1157447252 /nfs/dbraw/zinc/44/72/52/1157447252.db2.gz LPSGLABQPURNJT-DLBZAZTESA-N 1 3 321.465 0.993 20 30 DCEDHO C#CCC[NH2+]C[C@H](NC(=O)C1CCN(CC#C)CC1)C1CC1 ZINC001670557162 1157462122 /nfs/dbraw/zinc/46/21/22/1157462122.db2.gz RYTJNYYIFVSEKF-KRWDZBQOSA-N 1 3 301.434 0.839 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755088320 1157916324 /nfs/dbraw/zinc/91/63/24/1157916324.db2.gz RNWLGNQRMUROKH-WMZOPIPTSA-N 1 3 321.465 0.685 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001755088320 1157916332 /nfs/dbraw/zinc/91/63/32/1157916332.db2.gz RNWLGNQRMUROKH-WMZOPIPTSA-N 1 3 321.465 0.685 20 30 DCEDHO CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001755877950 1158319851 /nfs/dbraw/zinc/31/98/51/1158319851.db2.gz FCEOUNUXJKACOU-INIZCTEOSA-N 1 3 309.454 0.949 20 30 DCEDHO C#CCN(C)CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691603423 1158353888 /nfs/dbraw/zinc/35/38/88/1158353888.db2.gz CNCKUIJNWIKCAL-UHFFFAOYSA-N 1 3 309.454 0.758 20 30 DCEDHO C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001567088569 1160235761 /nfs/dbraw/zinc/23/57/61/1160235761.db2.gz PODRUMIPJLOQFS-HNNXBMFYSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC[C@H](C)O)CC2)CC1 ZINC001569431718 1161059669 /nfs/dbraw/zinc/05/96/69/1161059669.db2.gz ATHKLDBGLDTIRY-HNNXBMFYSA-N 1 3 321.465 0.731 20 30 DCEDHO C#CCC[NH2+]C1CCN(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001569888006 1161297142 /nfs/dbraw/zinc/29/71/42/1161297142.db2.gz DOKIGRKBJSQLTI-UHFFFAOYSA-N 1 3 307.373 0.356 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001570138965 1161431998 /nfs/dbraw/zinc/43/19/98/1161431998.db2.gz GOEAHJDPMZXIHC-OAHLLOKOSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCN[C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570290569 1161546360 /nfs/dbraw/zinc/54/63/60/1161546360.db2.gz AIEBKTRJSWLBFA-RDJZCZTQSA-N 1 3 309.454 0.683 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001570295489 1161552208 /nfs/dbraw/zinc/55/22/08/1161552208.db2.gz IQIWBQZNTFGKLD-AEFFLSMTSA-N 1 3 321.465 0.827 20 30 DCEDHO N#Cc1ccc(N2CCC(NC[C@@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001580067135 1165490982 /nfs/dbraw/zinc/49/09/82/1165490982.db2.gz HSJGQXBAOKZRKN-QGZVFWFLSA-N 1 3 300.406 0.841 20 30 DCEDHO COCCN1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001649976085 1173353596 /nfs/dbraw/zinc/35/35/96/1173353596.db2.gz OGLGPLWBMBFRFR-GWUWNPHMSA-N 1 3 320.437 0.353 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001666921931 1174648027 /nfs/dbraw/zinc/64/80/27/1174648027.db2.gz VDMCDQWGOSLVIU-KGLIPLIRSA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCN1CC[C@@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672034029 1175066314 /nfs/dbraw/zinc/06/63/14/1175066314.db2.gz AGUVQVVWXUVVDY-GOSISDBHSA-N 1 3 321.465 0.847 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001673675612 1175222056 /nfs/dbraw/zinc/22/20/56/1175222056.db2.gz DBVMLXOMDQISMV-KRWDZBQOSA-N 1 3 307.438 0.437 20 30 DCEDHO C=CCOCCN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001677632126 1175588326 /nfs/dbraw/zinc/58/83/26/1175588326.db2.gz HGKPSNPMOIXCDA-INIZCTEOSA-N 1 3 307.438 0.889 20 30 DCEDHO C=CCOCCN1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001677632126 1175588330 /nfs/dbraw/zinc/58/83/30/1175588330.db2.gz HGKPSNPMOIXCDA-INIZCTEOSA-N 1 3 307.438 0.889 20 30 DCEDHO COCC#CCN[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690628487 1177286883 /nfs/dbraw/zinc/28/68/83/1177286883.db2.gz OHTACZVPUHAZFF-JKSUJKDBSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001690628487 1177286888 /nfs/dbraw/zinc/28/68/88/1177286888.db2.gz OHTACZVPUHAZFF-JKSUJKDBSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001700077889 1178470748 /nfs/dbraw/zinc/47/07/48/1178470748.db2.gz KMHGWMDUNAFGOO-AWEZNQCLSA-N 1 3 304.394 0.430 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700339624 1178588247 /nfs/dbraw/zinc/58/82/47/1178588247.db2.gz RLOOEVUAMWYQAI-HNNXBMFYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700339624 1178588251 /nfs/dbraw/zinc/58/82/51/1178588251.db2.gz RLOOEVUAMWYQAI-HNNXBMFYSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2CCN(CC#C)CC2)CCO1 ZINC001700611943 1178680366 /nfs/dbraw/zinc/68/03/66/1178680366.db2.gz SNMGPFDZGGVYEV-RDJZCZTQSA-N 1 3 317.433 0.170 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CCCC2)CC1 ZINC001700807979 1178758267 /nfs/dbraw/zinc/75/82/67/1178758267.db2.gz LBJKOPWOXZKTCO-KRWDZBQOSA-N 1 3 321.465 0.589 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC[C@H](C)O)C2)CC1 ZINC001713208211 1180720217 /nfs/dbraw/zinc/72/02/17/1180720217.db2.gz FGXLCESALFIWBN-BHYGNILZSA-N 1 3 321.465 0.729 20 30 DCEDHO COCC#CC[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001713290387 1180752947 /nfs/dbraw/zinc/75/29/47/1180752947.db2.gz HBCWTCFKCYOLGC-GTPINHCMSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714135136 1181258522 /nfs/dbraw/zinc/25/85/22/1181258522.db2.gz SFPMBVBPVJLLOB-CABCVRRESA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001714148424 1181262671 /nfs/dbraw/zinc/26/26/71/1181262671.db2.gz LZCPWVLNQUHUOB-AWEZNQCLSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714278655 1181304446 /nfs/dbraw/zinc/30/44/46/1181304446.db2.gz NEDHIGFESXBDKO-GJZGRUSLSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714278655 1181304452 /nfs/dbraw/zinc/30/44/52/1181304452.db2.gz NEDHIGFESXBDKO-GJZGRUSLSA-N 1 3 322.453 0.093 20 30 DCEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715214121 1181718745 /nfs/dbraw/zinc/71/87/45/1181718745.db2.gz ZFVJXCZLAQNLMU-HUUCEWRRSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715214121 1181718752 /nfs/dbraw/zinc/71/87/52/1181718752.db2.gz ZFVJXCZLAQNLMU-HUUCEWRRSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001715417640 1181807789 /nfs/dbraw/zinc/80/77/89/1181807789.db2.gz NGYXQLCZOWCPBJ-HIFRSBDPSA-N 1 3 306.410 0.981 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)C[C@H](C)OC)CC1 ZINC001715540514 1181849803 /nfs/dbraw/zinc/84/98/03/1181849803.db2.gz XGXBTBVKCSYXAT-HNNXBMFYSA-N 1 3 309.454 0.757 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)C[C@H](C)OC)CC1 ZINC001715540514 1181849807 /nfs/dbraw/zinc/84/98/07/1181849807.db2.gz XGXBTBVKCSYXAT-HNNXBMFYSA-N 1 3 309.454 0.757 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCOC)CC1 ZINC001717500834 1182865735 /nfs/dbraw/zinc/86/57/35/1182865735.db2.gz YLTCNYHQMLIELP-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCOC)CC1 ZINC001717500834 1182865744 /nfs/dbraw/zinc/86/57/44/1182865744.db2.gz YLTCNYHQMLIELP-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001717801519 1183007882 /nfs/dbraw/zinc/00/78/82/1183007882.db2.gz GNHHRZKPROACPX-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001717801519 1183007886 /nfs/dbraw/zinc/00/78/86/1183007886.db2.gz GNHHRZKPROACPX-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001722992180 1184243939 /nfs/dbraw/zinc/24/39/39/1184243939.db2.gz TUJHYGFUZFJNAU-GJZGRUSLSA-N 1 3 322.453 0.306 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731297447 1185247165 /nfs/dbraw/zinc/24/71/65/1185247165.db2.gz NNYSWXOADUGRGA-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001731859702 1185534170 /nfs/dbraw/zinc/53/41/70/1185534170.db2.gz YGUUXLKSRTVUEJ-JKSUJKDBSA-N 1 3 307.438 0.416 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731859702 1185534173 /nfs/dbraw/zinc/53/41/73/1185534173.db2.gz YGUUXLKSRTVUEJ-JKSUJKDBSA-N 1 3 307.438 0.416 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001733536626 1186325815 /nfs/dbraw/zinc/32/58/15/1186325815.db2.gz URHWLPXMKIHGMV-JKSUJKDBSA-N 1 3 309.454 0.805 20 30 DCEDHO CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCCN1C(C)C ZINC001733625866 1186377170 /nfs/dbraw/zinc/37/71/70/1186377170.db2.gz AASLBERIASZIMJ-MRXNPFEDSA-N 1 3 309.454 0.683 20 30 DCEDHO CC#CC[NH2+]CC1(O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001733885170 1186486186 /nfs/dbraw/zinc/48/61/86/1186486186.db2.gz GIIGDUZUDJIURQ-UHFFFAOYSA-N 1 3 307.438 0.437 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753137454 1188512600 /nfs/dbraw/zinc/51/26/00/1188512600.db2.gz KCLIZPIJQJJZIA-HNNXBMFYSA-N 1 3 305.422 0.170 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC(C)(C)C)CC1 ZINC001753947195 1188692736 /nfs/dbraw/zinc/69/27/36/1188692736.db2.gz PSFRRLJAYRLJGD-INIZCTEOSA-N 1 3 323.481 0.835 20 30 DCEDHO COCC#CCNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001754986100 1188987443 /nfs/dbraw/zinc/98/74/43/1188987443.db2.gz RPNGXENANVMGJL-UHFFFAOYSA-N 1 3 307.438 0.607 20 30 DCEDHO COCC#CC[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001755857413 1189236764 /nfs/dbraw/zinc/23/67/64/1189236764.db2.gz MRKKQIZCSNMAMU-UHFFFAOYSA-N 1 3 307.438 0.700 20 30 DCEDHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106910687 751553136 /nfs/dbraw/zinc/55/31/36/751553136.db2.gz JZYGZGFWYTYMEN-HZPDHXFCSA-N 1 3 309.454 0.662 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)CC1 ZINC001042367457 751603221 /nfs/dbraw/zinc/60/32/21/751603221.db2.gz HSFFPDTWCJJJLX-RDJZCZTQSA-N 1 3 319.449 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@H]3C2)CC1 ZINC001042367457 751603224 /nfs/dbraw/zinc/60/32/24/751603224.db2.gz HSFFPDTWCJJJLX-RDJZCZTQSA-N 1 3 319.449 0.247 20 30 DCEDHO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001098572522 747448186 /nfs/dbraw/zinc/44/81/86/747448186.db2.gz MIZGMIQMTHREKQ-QGZVFWFLSA-N 1 3 321.465 0.779 20 30 DCEDHO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001098572522 747448190 /nfs/dbraw/zinc/44/81/90/747448190.db2.gz MIZGMIQMTHREKQ-QGZVFWFLSA-N 1 3 321.465 0.779 20 30 DCEDHO CC#CCN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172687 749277877 /nfs/dbraw/zinc/27/78/77/749277877.db2.gz ZLTBWBYOHXFPOD-CVEARBPZSA-N 1 3 301.434 0.886 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001101035909 749981906 /nfs/dbraw/zinc/98/19/06/749981906.db2.gz DMCVRXRBSHWUSY-OFLPRAFFSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064349 753459092 /nfs/dbraw/zinc/45/90/92/753459092.db2.gz LKNCGBWXKQQODZ-SJORKVTESA-N 1 3 320.481 0.733 20 30 DCEDHO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064349 753459098 /nfs/dbraw/zinc/45/90/98/753459098.db2.gz LKNCGBWXKQQODZ-SJORKVTESA-N 1 3 320.481 0.733 20 30 DCEDHO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833285 754967910 /nfs/dbraw/zinc/96/79/10/754967910.db2.gz MSUYTVGSGVCSIZ-YVSFHVDLSA-N 1 3 319.449 0.816 20 30 DCEDHO C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833285 754967912 /nfs/dbraw/zinc/96/79/12/754967912.db2.gz MSUYTVGSGVCSIZ-YVSFHVDLSA-N 1 3 319.449 0.816 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCO)C2)CC1 ZINC001072095601 762353006 /nfs/dbraw/zinc/35/30/06/762353006.db2.gz LGPHEGWCHZHLCU-RDJZCZTQSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCO)C2)CC1 ZINC001072095601 762353013 /nfs/dbraw/zinc/35/30/13/762353013.db2.gz LGPHEGWCHZHLCU-RDJZCZTQSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525940 757797314 /nfs/dbraw/zinc/79/73/14/757797314.db2.gz ORBHEMUWBXJCSK-HOTGVXAUSA-N 1 3 317.433 0.407 20 30 DCEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525940 757797319 /nfs/dbraw/zinc/79/73/19/757797319.db2.gz ORBHEMUWBXJCSK-HOTGVXAUSA-N 1 3 317.433 0.407 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001098392598 759243916 /nfs/dbraw/zinc/24/39/16/759243916.db2.gz VMZOHDZNXKNHIX-UHFFFAOYSA-N 1 3 321.465 0.779 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001098392598 759243922 /nfs/dbraw/zinc/24/39/22/759243922.db2.gz VMZOHDZNXKNHIX-UHFFFAOYSA-N 1 3 321.465 0.779 20 30 DCEDHO C=C(Cl)CNCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541359 760718133 /nfs/dbraw/zinc/71/81/33/760718133.db2.gz JHQSIZDWRNYYRZ-UHFFFAOYSA-N 1 3 303.834 0.946 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107372 763126988 /nfs/dbraw/zinc/12/69/88/763126988.db2.gz MNXZBMORXVXWHL-KGLIPLIRSA-N 1 3 306.414 0.147 20 30 DCEDHO C=CCOCCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064586 763272579 /nfs/dbraw/zinc/27/25/79/763272579.db2.gz OLVVLXJPYHLATL-GJZGRUSLSA-N 1 3 313.442 0.082 20 30 DCEDHO C=CCOCCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100064586 763272583 /nfs/dbraw/zinc/27/25/83/763272583.db2.gz OLVVLXJPYHLATL-GJZGRUSLSA-N 1 3 313.442 0.082 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125068 763333894 /nfs/dbraw/zinc/33/38/94/763333894.db2.gz RJBKBPQZYQUDJC-CVEARBPZSA-N 1 3 307.438 0.437 20 30 DCEDHO COCC#CC[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678860 763720900 /nfs/dbraw/zinc/72/09/00/763720900.db2.gz ZNPSBVWVCXFVTQ-QQFBHYJXSA-N 1 3 307.438 0.462 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833718 765164119 /nfs/dbraw/zinc/16/41/19/765164119.db2.gz DKLGARSSKUDBPF-HNNXBMFYSA-N 1 3 322.453 0.377 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833718 765164121 /nfs/dbraw/zinc/16/41/21/765164121.db2.gz DKLGARSSKUDBPF-HNNXBMFYSA-N 1 3 322.453 0.377 20 30 DCEDHO CN1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001124873224 768318819 /nfs/dbraw/zinc/31/88/19/768318819.db2.gz UBGPEFPUSBPGAZ-OAHLLOKOSA-N 1 3 304.369 0.997 20 30 DCEDHO C=C(C[NH+](C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001136524932 766318080 /nfs/dbraw/zinc/31/80/80/766318080.db2.gz RKNFNJGEHUUHES-CQSZACIVSA-N 1 3 308.426 0.045 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC001090830802 766649688 /nfs/dbraw/zinc/64/96/88/766649688.db2.gz OWHQSIZRQLAZSQ-HZPDHXFCSA-N 1 3 307.438 0.291 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@H]2O)CC1 ZINC001090830802 766649691 /nfs/dbraw/zinc/64/96/91/766649691.db2.gz OWHQSIZRQLAZSQ-HZPDHXFCSA-N 1 3 307.438 0.291 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2conc2C)CC1 ZINC001176926153 770225242 /nfs/dbraw/zinc/22/52/42/770225242.db2.gz HPKJJLMQBVRPAN-UHFFFAOYSA-N 1 3 318.421 0.924 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743549 770605703 /nfs/dbraw/zinc/60/57/03/770605703.db2.gz IIECWSHNRKFBJU-CQSZACIVSA-N 1 3 305.426 0.518 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131354 771061140 /nfs/dbraw/zinc/06/11/40/771061140.db2.gz ABRFBEQZABXHKI-KKUMJFAQSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131353 771061211 /nfs/dbraw/zinc/06/12/11/771061211.db2.gz ABRFBEQZABXHKI-ILXRZTDVSA-N 1 3 322.453 0.352 20 30 DCEDHO CCOC(=O)CN(CC[NH3+])C(=O)C(C#N)Cc1ccc(O)cc1 ZINC001183612602 771670130 /nfs/dbraw/zinc/67/01/30/771670130.db2.gz HHGCZFMSNZCPPS-CYBMUJFWSA-N 1 3 319.361 0.425 20 30 DCEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196439 772007505 /nfs/dbraw/zinc/00/75/05/772007505.db2.gz SFHLUHJYMQZYGH-SJORKVTESA-N 1 3 317.433 0.621 20 30 DCEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196439 772007512 /nfs/dbraw/zinc/00/75/12/772007512.db2.gz SFHLUHJYMQZYGH-SJORKVTESA-N 1 3 317.433 0.621 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC12CCOCC2 ZINC001186410176 772039707 /nfs/dbraw/zinc/03/97/07/772039707.db2.gz PETLTKIZJITQKL-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484492 772742412 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C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001100522900 763632028 /nfs/dbraw/zinc/63/20/28/763632028.db2.gz MJLBBBIGQSOWOG-KUNBBXKYSA-N 1 3 319.449 0.910 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131089783 763639263 /nfs/dbraw/zinc/63/92/63/763639263.db2.gz ZQIDADNMZVBJQT-HUUCEWRRSA-N 1 3 319.453 0.832 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100771130 763775973 /nfs/dbraw/zinc/77/59/73/763775973.db2.gz ZLJVDHSMBZOPMU-WLYUNCDWSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867936 765194103 /nfs/dbraw/zinc/19/41/03/765194103.db2.gz YMBYYRMQQUBAOF-GJZGRUSLSA-N 1 3 322.453 0.091 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867936 765194108 /nfs/dbraw/zinc/19/41/08/765194108.db2.gz YMBYYRMQQUBAOF-GJZGRUSLSA-N 1 3 322.453 0.091 20 30 DCEDHO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866661 768317664 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N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@H](N)CCC[NH3+])C2)cc1 ZINC001161325236 772205653 /nfs/dbraw/zinc/20/56/53/772205653.db2.gz YTKAGOHNHUYNDI-JKSUJKDBSA-N 1 3 316.405 0.994 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001166677124 772838258 /nfs/dbraw/zinc/83/82/58/772838258.db2.gz FVXYCLKVEVXFLX-HUUCEWRRSA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640020 773509942 /nfs/dbraw/zinc/50/99/42/773509942.db2.gz XLLVPNMBZWLEJF-LPMVOBIJSA-N 1 3 317.433 0.454 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210812401 773741358 /nfs/dbraw/zinc/74/13/58/773741358.db2.gz ZHIGZKDFGIIPER-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([NH2+]CC#CC)C2)CC1 ZINC001211233502 773784503 /nfs/dbraw/zinc/78/45/03/773784503.db2.gz GXDDEGHZPCBAOM-KRWDZBQOSA-N 1 3 301.434 0.936 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847898 774018651 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C=C[C@@H]1C[C@]1(N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114303 774999498 /nfs/dbraw/zinc/99/94/98/774999498.db2.gz UXGFLVBMIPPHDS-CXAGYDPISA-N 1 3 300.406 0.722 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226801139 775878287 /nfs/dbraw/zinc/87/82/87/775878287.db2.gz SXGQPXQFJKMADL-ZACQAIPSSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266531145 939153808 /nfs/dbraw/zinc/15/38/08/939153808.db2.gz UNUGRFDFZIUSDJ-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266531145 939153812 /nfs/dbraw/zinc/15/38/12/939153812.db2.gz UNUGRFDFZIUSDJ-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO CC#CC[NH2+]C1CCN(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001279431273 939160034 /nfs/dbraw/zinc/16/00/34/939160034.db2.gz JBBRJDKNCBNRIU-UHFFFAOYSA-N 1 3 320.481 0.664 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929826 941715168 /nfs/dbraw/zinc/71/51/68/941715168.db2.gz 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DCEDHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]C[C@H](C)OC)CC1 ZINC001321418185 946324110 /nfs/dbraw/zinc/32/41/10/946324110.db2.gz XTGZBMQLJXBUFI-YVACAVLKSA-N 1 3 307.438 0.629 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OCC ZINC001489016033 949436394 /nfs/dbraw/zinc/43/63/94/949436394.db2.gz CZFPGVINRDTGKT-UKRRQHHQSA-N 1 3 304.394 0.429 20 30 DCEDHO C#CCN1CCN(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274878546 951870536 /nfs/dbraw/zinc/87/05/36/951870536.db2.gz AZCIYXRCRSROQJ-QGZVFWFLSA-N 1 3 320.481 0.475 20 30 DCEDHO C#CCN1CCN(CCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274878546 951870543 /nfs/dbraw/zinc/87/05/43/951870543.db2.gz AZCIYXRCRSROQJ-QGZVFWFLSA-N 1 3 320.481 0.475 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CCCO)C2)CC1 ZINC001282083097 953491982 /nfs/dbraw/zinc/49/19/82/953491982.db2.gz ACXCRUWYYCRHBF-UHFFFAOYSA-N 1 3 307.438 0.198 20 30 DCEDHO C=CCOCCN1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282739468 953664976 /nfs/dbraw/zinc/66/49/76/953664976.db2.gz UTAPOKONHAOMGN-CQSZACIVSA-N 1 3 307.438 0.721 20 30 DCEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001317057238 960341658 /nfs/dbraw/zinc/34/16/58/960341658.db2.gz PMIDOVOGMDFSMK-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#CCOC)C1 ZINC001317057238 960341666 /nfs/dbraw/zinc/34/16/66/960341666.db2.gz PMIDOVOGMDFSMK-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001505668196 1016423934 /nfs/dbraw/zinc/42/39/34/1016423934.db2.gz UZCYTSWQNZFUSY-GJZGRUSLSA-N 1 3 309.454 0.993 20 30 DCEDHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001406235419 1003509431 /nfs/dbraw/zinc/50/94/31/1003509431.db2.gz CZOUQPPGOOCSTD-BXUZGUMPSA-N 1 3 324.450 0.527 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065426 1016968670 /nfs/dbraw/zinc/96/86/70/1016968670.db2.gz OVFGEXQIFDCDBJ-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065426 1016968683 /nfs/dbraw/zinc/96/86/83/1016968683.db2.gz OVFGEXQIFDCDBJ-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC#CCOC)C2)C1 ZINC001480115185 1018219116 /nfs/dbraw/zinc/21/91/16/1018219116.db2.gz MBPKRCGSYVKSDA-SJORKVTESA-N 1 3 321.465 0.949 20 30 DCEDHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC#CCOC)C2)C1 ZINC001480115185 1018219123 /nfs/dbraw/zinc/21/91/23/1018219123.db2.gz MBPKRCGSYVKSDA-SJORKVTESA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497578861 1018244918 /nfs/dbraw/zinc/24/49/18/1018244918.db2.gz KUIJFZSNYXIAGR-YIEVGGLXSA-N 1 3 307.438 0.771 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497578861 1018244932 /nfs/dbraw/zinc/24/49/32/1018244932.db2.gz KUIJFZSNYXIAGR-YIEVGGLXSA-N 1 3 307.438 0.771 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001480538075 1018638667 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20 30 DCEDHO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000343733011 415702617 /nfs/dbraw/zinc/70/26/17/415702617.db2.gz ACWMHYMODYHILB-UHFFFAOYSA-N 1 3 322.453 0.307 20 30 DCEDHO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344009539 415816656 /nfs/dbraw/zinc/81/66/56/415816656.db2.gz AZQRSGNRGCNXQR-HNNXBMFYSA-N 1 3 323.485 0.753 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000339667515 416162128 /nfs/dbraw/zinc/16/21/28/416162128.db2.gz RIILDPNIRZVSGB-UHFFFAOYSA-N 1 3 322.453 0.354 20 30 DCEDHO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C1=CCN(C)CC1 ZINC000330789219 416239500 /nfs/dbraw/zinc/23/95/00/416239500.db2.gz RTWYRIOUGJXJRV-CYBMUJFWSA-N 1 3 320.441 1.421 20 30 DCEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000417062938 416381938 /nfs/dbraw/zinc/38/19/38/416381938.db2.gz MYJWUBRLUXXDMY-JKSUJKDBSA-N 1 3 324.469 0.973 20 30 DCEDHO C#CCN1CCC(C(=O)NCCOCC[NH+](CC)CC)CC1 ZINC000490950672 416581817 /nfs/dbraw/zinc/58/18/17/416581817.db2.gz 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C#CCN1CCC(C(=O)N(C)[C@H]2C[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC001047638368 754453807 /nfs/dbraw/zinc/45/38/07/754453807.db2.gz PHADMLOZYXASDW-IRXDYDNUSA-N 1 3 319.449 0.411 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC001047638368 754453809 /nfs/dbraw/zinc/45/38/09/754453809.db2.gz PHADMLOZYXASDW-IRXDYDNUSA-N 1 3 319.449 0.411 20 30 DCEDHO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834136 754967387 /nfs/dbraw/zinc/96/73/87/754967387.db2.gz ZVCOMEPLZCFEFL-XUWVNRHRSA-N 1 3 305.422 0.426 20 30 DCEDHO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834136 754967392 /nfs/dbraw/zinc/96/73/92/754967392.db2.gz ZVCOMEPLZCFEFL-XUWVNRHRSA-N 1 3 305.422 0.426 20 30 DCEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001048959759 755041073 /nfs/dbraw/zinc/04/10/73/755041073.db2.gz MUUYBJLSKHCTEM-BBWFWOEESA-N 1 3 301.434 0.884 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672971 756752094 /nfs/dbraw/zinc/75/20/94/756752094.db2.gz QYRCEPHCJYPQJY-ARFHVFGLSA-N 1 3 307.438 0.720 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@H]2OC)CC1 ZINC001082383149 757090342 /nfs/dbraw/zinc/09/03/42/757090342.db2.gz KKZIBMKTRZHFEI-IAGOWNOFSA-N 1 3 319.449 0.723 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@H]2OC)CC1 ZINC001082383149 757090349 /nfs/dbraw/zinc/09/03/49/757090349.db2.gz KKZIBMKTRZHFEI-IAGOWNOFSA-N 1 3 319.449 0.723 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC001084090275 757667845 /nfs/dbraw/zinc/66/78/45/757667845.db2.gz RQUJLFCMVJTZBL-CVEARBPZSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC001084090275 757667853 /nfs/dbraw/zinc/66/78/53/757667853.db2.gz RQUJLFCMVJTZBL-CVEARBPZSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155313726 759739895 /nfs/dbraw/zinc/73/98/95/759739895.db2.gz FYQOTWPQJRSDDA-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977326 767890343 /nfs/dbraw/zinc/89/03/43/767890343.db2.gz OCTFYWGDPZFTCK-UHFFFAOYSA-N 1 3 322.453 0.213 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449872 762938557 /nfs/dbraw/zinc/93/85/57/762938557.db2.gz QUFMOLAVYSLQAA-INIZCTEOSA-N 1 3 322.453 0.233 20 30 DCEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107747 763128635 /nfs/dbraw/zinc/12/86/35/763128635.db2.gz ZKJQOSAKZMMKMB-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO COCC#CC[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676905 763716486 /nfs/dbraw/zinc/71/64/86/763716486.db2.gz URXOLCNWOOBGSO-QQFBHYJXSA-N 1 3 307.438 0.605 20 30 DCEDHO COCC#CC[N@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366605 764615553 /nfs/dbraw/zinc/61/55/53/764615553.db2.gz KZUUVLIAZYLKTN-BRWVUGGUSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CC[N@@H+]1C[C@@H](CNC(=O)CN2CCC[C@H]2C)[C@H](C)C1 ZINC001102366605 764615560 /nfs/dbraw/zinc/61/55/60/764615560.db2.gz KZUUVLIAZYLKTN-BRWVUGGUSA-N 1 3 321.465 0.805 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285727 764905966 /nfs/dbraw/zinc/90/59/66/764905966.db2.gz GFMUKTBTPSRHHL-UHFFFAOYSA-N 1 3 322.453 0.235 20 30 DCEDHO COCC#CCNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135333705 765896228 /nfs/dbraw/zinc/89/62/28/765896228.db2.gz CUNXMGRPMHWJCL-UHFFFAOYSA-N 1 3 303.406 0.717 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151365878 769322901 /nfs/dbraw/zinc/32/29/01/769322901.db2.gz DTYIEDQNXUAHKI-HNNXBMFYSA-N 1 3 324.469 0.649 20 30 DCEDHO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754055 770167993 /nfs/dbraw/zinc/16/79/93/770167993.db2.gz QMDZHPQSFHPFJP-HNNXBMFYSA-N 1 3 324.469 0.341 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154396400 770168091 /nfs/dbraw/zinc/16/80/91/770168091.db2.gz HWVNNKGZPMMOEB-GJEMEMOUSA-N 1 3 305.422 0.309 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154396400 770168099 /nfs/dbraw/zinc/16/80/99/770168099.db2.gz HWVNNKGZPMMOEB-GJEMEMOUSA-N 1 3 305.422 0.309 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178985682 770922529 /nfs/dbraw/zinc/92/25/29/770922529.db2.gz UFFHTHSKHGFZLZ-ZQDZILKHSA-N 1 3 322.453 0.044 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968160 771048426 /nfs/dbraw/zinc/04/84/26/771048426.db2.gz NMMBOWDYIIZQBF-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO CCOC(=O)CN(CC[NH3+])C(=O)C(C#N)Cc1ccc(O)cc1 ZINC001183612611 771670115 /nfs/dbraw/zinc/67/01/15/771670115.db2.gz HHGCZFMSNZCPPS-ZDUSSCGKSA-N 1 3 319.361 0.425 20 30 DCEDHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159292080 771891371 /nfs/dbraw/zinc/89/13/71/771891371.db2.gz BYCOOKPPVKSKCZ-UHFFFAOYSA-N 1 3 312.377 0.690 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159861656 771969657 /nfs/dbraw/zinc/96/96/57/771969657.db2.gz PUGWRZCUGUHTFF-CYBMUJFWSA-N 1 3 310.442 0.257 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001186512482 772050772 /nfs/dbraw/zinc/05/07/72/772050772.db2.gz LLXNPOJMNMKMTA-AWEZNQCLSA-N 1 3 316.405 0.430 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161508642 772237119 /nfs/dbraw/zinc/23/71/19/772237119.db2.gz FPPNUFSZUSSMNK-ZIAGYGMSSA-N 1 3 300.362 0.134 20 30 DCEDHO CN(C)/C=N/c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1C#N ZINC001163252144 772491968 /nfs/dbraw/zinc/49/19/68/772491968.db2.gz FMDHZHCKIPWHTA-DNHMENHVSA-N 1 3 312.377 0.770 20 30 DCEDHO C=CCNC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744424 772855929 /nfs/dbraw/zinc/85/59/29/772855929.db2.gz VZYSOXOOXZQPQD-UHFFFAOYSA-N 1 3 312.458 0.362 20 30 DCEDHO COCC#CC[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457668 772993899 /nfs/dbraw/zinc/99/38/99/772993899.db2.gz JVHSHQHVVJNMIL-UHFFFAOYSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208447963 773464557 /nfs/dbraw/zinc/46/45/57/773464557.db2.gz RVTQYLKMCWODSK-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208447963 773464564 /nfs/dbraw/zinc/46/45/64/773464564.db2.gz RVTQYLKMCWODSK-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211267835 773787706 /nfs/dbraw/zinc/78/77/06/773787706.db2.gz DNIDXBMKGHTVMV-AWEZNQCLSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CCCO1 ZINC001200636322 774382386 /nfs/dbraw/zinc/38/23/86/774382386.db2.gz YAFUYRBFJKNZGI-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066126 774441612 /nfs/dbraw/zinc/44/16/12/774441612.db2.gz GBXHGVUTYQGMEL-UHFFFAOYSA-N 1 3 307.438 0.701 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001219812852 774616975 /nfs/dbraw/zinc/61/69/75/774616975.db2.gz JVBULIIPKHJTGS-UXLLHSPISA-N 1 3 314.389 0.300 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001267154682 939361570 /nfs/dbraw/zinc/36/15/70/939361570.db2.gz IDZSGCZYHJAUSG-GJZGRUSLSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001267429053 939454127 /nfs/dbraw/zinc/45/41/27/939454127.db2.gz MHURLDJNHQWDSZ-CABCVRRESA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001267429053 939454128 /nfs/dbraw/zinc/45/41/28/939454128.db2.gz MHURLDJNHQWDSZ-CABCVRRESA-N 1 3 322.453 0.163 20 30 DCEDHO C[NH+](C)CCCC(=O)NC[C@@H](O)CNCC#Cc1ccccc1 ZINC001268324472 940059092 /nfs/dbraw/zinc/05/90/92/940059092.db2.gz VCTLRCYUBSEYBD-KRWDZBQOSA-N 1 3 317.433 0.447 20 30 DCEDHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC#CCOC)C1CC1)N(C)C ZINC001481948029 940192760 /nfs/dbraw/zinc/19/27/60/940192760.db2.gz YTXCMGSBNTZNGY-WBVHZDCISA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC[C@@H](C)O)C2)CC1 ZINC001269200541 940645886 /nfs/dbraw/zinc/64/58/86/940645886.db2.gz XZLIHTFXKFUDBZ-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC[C@@H](C)O)C2)CC1 ZINC001269200541 940645888 /nfs/dbraw/zinc/64/58/88/940645888.db2.gz XZLIHTFXKFUDBZ-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001270193154 940852756 /nfs/dbraw/zinc/85/27/56/940852756.db2.gz HDYNKAYSQBTNSW-GJZGRUSLSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001270745360 940980213 /nfs/dbraw/zinc/98/02/13/940980213.db2.gz ZKOYYNFADSGVMX-RHSMWYFYSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001482947011 941722979 /nfs/dbraw/zinc/72/29/79/941722979.db2.gz COYCOSFZGLOYQI-AWEZNQCLSA-N 1 3 324.469 0.457 20 30 DCEDHO CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001276777566 944295104 /nfs/dbraw/zinc/29/51/04/944295104.db2.gz DREYXWSFFLPYDE-GDBMZVCRSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCN1CCC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001486449827 944889995 /nfs/dbraw/zinc/88/99/95/944889995.db2.gz ROAIQNMJUDPVPO-HNNXBMFYSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN(CC#C)Cc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164177 946327575 /nfs/dbraw/zinc/32/75/75/946327575.db2.gz GYGPORGNGBNUED-UHFFFAOYSA-N 1 3 302.426 0.065 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCO1 ZINC001273323478 946629525 /nfs/dbraw/zinc/62/95/25/946629525.db2.gz NTGQRILVGFPVHE-CVEARBPZSA-N 1 3 307.438 0.700 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534263 947854077 /nfs/dbraw/zinc/85/40/77/947854077.db2.gz DNKMGFROLJOICE-ILXRZTDVSA-N 1 3 322.453 0.352 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554190 947869815 /nfs/dbraw/zinc/86/98/15/947869815.db2.gz UFFHTHSKHGFZLZ-QPSCCSFWSA-N 1 3 322.453 0.044 20 30 DCEDHO 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CCN1CCN(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001353273789 955999546 /nfs/dbraw/zinc/99/95/46/955999546.db2.gz QKEPEXUHCSXEPZ-QGZVFWFLSA-N 1 3 302.422 0.819 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001491682245 959043318 /nfs/dbraw/zinc/04/33/18/959043318.db2.gz JHIPIUZZYZLDPE-NVXWUHKLSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cnn(C)c2)CC1 ZINC001491682249 959045351 /nfs/dbraw/zinc/04/53/51/959045351.db2.gz JLLNYWXBAJHNSN-CQSZACIVSA-N 1 3 317.437 0.360 20 30 DCEDHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383184 964863820 /nfs/dbraw/zinc/86/38/20/964863820.db2.gz MOJNEXHNYHNZLU-JKSUJKDBSA-N 1 3 316.405 0.077 20 30 DCEDHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383184 964863859 /nfs/dbraw/zinc/86/38/59/964863859.db2.gz MOJNEXHNYHNZLU-JKSUJKDBSA-N 1 3 316.405 0.077 20 30 DCEDHO COCC#CCN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321063 1016251107 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C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001422013834 1009400813 /nfs/dbraw/zinc/40/08/13/1009400813.db2.gz PNUYKKCLJPLLIU-CYBMUJFWSA-N 1 3 315.845 0.946 20 30 DCEDHO C#CC1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC001520996242 1017323865 /nfs/dbraw/zinc/32/38/65/1017323865.db2.gz ZYZRCOOLJRUQIC-HNNXBMFYSA-N 1 3 324.469 0.428 20 30 DCEDHO C#CC1(O)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC001520996242 1017323876 /nfs/dbraw/zinc/32/38/76/1017323876.db2.gz ZYZRCOOLJRUQIC-HNNXBMFYSA-N 1 3 324.469 0.428 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001495567344 1018579027 /nfs/dbraw/zinc/57/90/27/1018579027.db2.gz PQGWHJWODVSYSU-RRFJBIMHSA-N 1 3 324.469 0.598 20 30 DCEDHO COCC#CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001501961770 1019591144 /nfs/dbraw/zinc/59/11/44/1019591144.db2.gz JPNNGAPSHXPBQX-UHFFFAOYSA-N 1 3 307.438 0.749 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001496921679 1019760260 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C#CCN1CCC(C(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000490671336 332848348 /nfs/dbraw/zinc/84/83/48/332848348.db2.gz RGTLQNNPBFROHV-UHFFFAOYSA-N 1 3 306.454 0.037 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CC[NH+](C)C)OCC)CC1 ZINC000176860251 340433013 /nfs/dbraw/zinc/43/30/13/340433013.db2.gz IJFPGNFQIHCGJL-INIZCTEOSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCN1CCC(NC(NCc2nnc(C)n2C)=[NH+]C)CC1 ZINC000261948380 526416290 /nfs/dbraw/zinc/41/62/90/526416290.db2.gz GPTISQLESFKKPR-UHFFFAOYSA-N 1 3 305.430 0.439 20 30 DCEDHO CC(C)[NH+]=C(NCC(=O)N(C)C)NC1CCN(C2CC2)CC1 ZINC000185504155 527386543 /nfs/dbraw/zinc/38/65/43/527386543.db2.gz HXXYFAXDNXWHMG-UHFFFAOYSA-N 1 3 309.458 0.645 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264308407 529073035 /nfs/dbraw/zinc/07/30/35/529073035.db2.gz UMRGRRUJMLMYBG-HZPDHXFCSA-N 1 3 304.438 0.979 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001023127814 657539740 /nfs/dbraw/zinc/53/97/40/657539740.db2.gz 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ZINC000732306160 664912471 /nfs/dbraw/zinc/91/24/71/664912471.db2.gz IWRFCDKOMAUIGI-KRWDZBQOSA-N 1 3 320.481 0.618 20 30 DCEDHO C#CCN1CCC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647159 666082031 /nfs/dbraw/zinc/08/20/31/666082031.db2.gz SINIASQYELBMOI-PQUAAJSLSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCN1CCC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647159 666082032 /nfs/dbraw/zinc/08/20/32/666082032.db2.gz SINIASQYELBMOI-PQUAAJSLSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001016330912 666218094 /nfs/dbraw/zinc/21/80/94/666218094.db2.gz HRMIXQKKJMVJOH-HOCLYGCPSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001016330912 666218096 /nfs/dbraw/zinc/21/80/96/666218096.db2.gz HRMIXQKKJMVJOH-HOCLYGCPSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001034045824 666907010 /nfs/dbraw/zinc/90/70/10/666907010.db2.gz NJDWQQRJUDLMPO-QGZVFWFLSA-N 1 3 321.465 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PPWRSAKIXVFFLQ-HNNXBMFYSA-N 1 3 311.474 0.358 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001019241523 693404934 /nfs/dbraw/zinc/40/49/34/693404934.db2.gz FGVKZOBQKFJXMY-RRFJBIMHSA-N 1 3 320.437 0.058 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001571460860 1162768862 /nfs/dbraw/zinc/76/88/62/1162768862.db2.gz CQGARRYINAODCF-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001571492132 1162781839 /nfs/dbraw/zinc/78/18/39/1162781839.db2.gz ZZSRCHRHAJZIRM-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001571492132 1162781845 /nfs/dbraw/zinc/78/18/45/1162781845.db2.gz ZZSRCHRHAJZIRM-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC#CCOC)C1 ZINC001753875150 1158079740 /nfs/dbraw/zinc/07/97/40/1158079740.db2.gz FZFQLWSASZGEFH-DLBZAZTESA-N 1 3 321.465 0.901 20 30 DCEDHO 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CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C#N)CO)CC2)CC1 ZINC001328340605 948845509 /nfs/dbraw/zinc/84/55/09/948845509.db2.gz QVZKUHCLSIHOOX-AWEZNQCLSA-N 1 3 308.426 0.183 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265443844 949693852 /nfs/dbraw/zinc/69/38/52/949693852.db2.gz GTNJHLKVMXSDTC-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001265571145 949776364 /nfs/dbraw/zinc/77/63/64/949776364.db2.gz FXVKONLZWATYFX-IYBDPMFKSA-N 1 3 307.438 0.605 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001265947440 950179574 /nfs/dbraw/zinc/17/95/74/950179574.db2.gz LLXFVOAFKVHOMW-GJZGRUSLSA-N 1 3 322.453 0.304 20 30 DCEDHO C=C[C@](C)(O)C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001274615845 951740950 /nfs/dbraw/zinc/74/09/50/951740950.db2.gz WZHRGNOZAFXHCM-DLBZAZTESA-N 1 3 309.454 0.942 20 30 DCEDHO C=C[C@](C)(O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001274615845 951740956 /nfs/dbraw/zinc/74/09/56/951740956.db2.gz WZHRGNOZAFXHCM-DLBZAZTESA-N 1 3 309.454 0.942 20 30 DCEDHO C=CCN1CC[C@]2(CCN(C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656839 951769245 /nfs/dbraw/zinc/76/92/45/951769245.db2.gz RXIRKXZMHYXSOA-RDJZCZTQSA-N 1 3 309.454 0.800 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541945 953237413 /nfs/dbraw/zinc/23/74/13/953237413.db2.gz ZYINODXZIUFWNY-SYQHCUMBSA-N 1 3 322.409 0.064 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001284178861 954905152 /nfs/dbraw/zinc/90/51/52/954905152.db2.gz JJHDRQKWFYNFHL-HOTGVXAUSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516736 956099402 /nfs/dbraw/zinc/09/94/02/956099402.db2.gz XIVKKZSADSRYHI-KGLIPLIRSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc(CN(C)C)c1 ZINC001507264827 1016197364 /nfs/dbraw/zinc/19/73/64/1016197364.db2.gz LTKRJBLCTFZNRB-INIZCTEOSA-N 1 3 303.406 0.452 20 30 DCEDHO COCC#CC[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001505518663 1016283897 /nfs/dbraw/zinc/28/38/97/1016283897.db2.gz RNGAWEMZPDCCPW-FHERZECASA-N 1 3 307.438 0.462 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCOC)C2)CC1 ZINC001507427825 1016321310 /nfs/dbraw/zinc/32/13/10/1016321310.db2.gz LQUOYORDLLNRHO-RDJZCZTQSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001507507899 1016433781 /nfs/dbraw/zinc/43/37/81/1016433781.db2.gz WFKRIEQXEIVFAS-CVEARBPZSA-N 1 3 309.454 0.682 20 30 DCEDHO C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001500018697 1018174618 /nfs/dbraw/zinc/17/46/18/1018174618.db2.gz NAIDNLLEZUKNIC-HOTGVXAUSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCOC)CC1 ZINC001500054214 1018191622 /nfs/dbraw/zinc/19/16/22/1018191622.db2.gz JTTHJUWTFHOHNR-MRXNPFEDSA-N 1 3 309.454 0.899 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001480648962 1018740396 /nfs/dbraw/zinc/74/03/96/1018740396.db2.gz RFZSLOHSHAXMKD-ZBFHGGJFSA-N 1 3 324.469 0.313 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480665094 1018755716 /nfs/dbraw/zinc/75/57/16/1018755716.db2.gz ITDODQCLKRDOGM-HOTGVXAUSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072980 1019685805 /nfs/dbraw/zinc/68/58/05/1019685805.db2.gz XSTMHILHHVQFBP-HZPDHXFCSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072980 1019685817 /nfs/dbraw/zinc/68/58/17/1019685817.db2.gz XSTMHILHHVQFBP-HZPDHXFCSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000491251807 533103829 /nfs/dbraw/zinc/10/38/29/533103829.db2.gz CGJBGDSKQNOUBZ-INIZCTEOSA-N 1 3 323.485 0.124 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000491251807 533103832 /nfs/dbraw/zinc/10/38/32/533103832.db2.gz CGJBGDSKQNOUBZ-INIZCTEOSA-N 1 3 323.485 0.124 20 30 DCEDHO CCc1nn(C)c(OC)c1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000092854343 395733944 /nfs/dbraw/zinc/73/39/44/395733944.db2.gz YKTSXPZRRCGJGZ-LBPRGKRZSA-N 1 3 322.457 0.880 20 30 DCEDHO CC1CCN(C(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000303376437 396725222 /nfs/dbraw/zinc/72/52/22/396725222.db2.gz OIWNFRRGUHFTQY-OAHLLOKOSA-N 1 3 323.485 0.976 20 30 DCEDHO C=C[C@](C)(O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000330837694 416241630 /nfs/dbraw/zinc/24/16/30/416241630.db2.gz XUQQXDKZVVWRBY-KRWDZBQOSA-N 1 3 309.454 0.988 20 30 DCEDHO COCCNC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190528323 416280136 /nfs/dbraw/zinc/28/01/36/416280136.db2.gz IKXNBLMMLACLOY-MRXNPFEDSA-N 1 3 320.437 0.828 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659706365 418155090 /nfs/dbraw/zinc/15/50/90/418155090.db2.gz JHYGOMJXQSNSJQ-UHFFFAOYSA-N 1 3 310.442 0.339 20 30 DCEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1 ZINC000329940696 336097767 /nfs/dbraw/zinc/09/77/67/336097767.db2.gz BUVDYUFYZXBCOR-ZSHCYNCHSA-N 1 3 322.453 0.693 20 30 DCEDHO C=CCN1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000583093289 337239936 /nfs/dbraw/zinc/23/99/36/337239936.db2.gz INUFSYMMRVQEJP-UHFFFAOYSA-N 1 3 305.426 0.825 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC001567241060 1160281928 /nfs/dbraw/zinc/28/19/28/1160281928.db2.gz SNFAOGZKAYAZQN-HUUCEWRRSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001569854415 1161285558 /nfs/dbraw/zinc/28/55/58/1161285558.db2.gz BJWZONGJUHXKPS-JKSUJKDBSA-N 1 3 309.454 0.661 20 30 DCEDHO COc1ccccc1CNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000170913381 534076203 /nfs/dbraw/zinc/07/62/03/534076203.db2.gz LYVBRQZNGFNCSF-UHFFFAOYSA-N 1 3 320.437 0.946 20 30 DCEDHO C[NH+]=C(NC[C@@]1(O)CCSC1)NC1CCN(C2CC2)CC1 ZINC000262414018 526375453 /nfs/dbraw/zinc/37/54/53/526375453.db2.gz PTGKJNDPQKNRLG-HNNXBMFYSA-N 1 3 312.483 0.646 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264308405 529074133 /nfs/dbraw/zinc/07/41/33/529074133.db2.gz UMRGRRUJMLMYBG-CVEARBPZSA-N 1 3 304.438 0.979 20 30 DCEDHO CC#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978171544 660493783 /nfs/dbraw/zinc/49/37/83/660493783.db2.gz ASROVZMJKYYWSH-VQHPVUNQSA-N 1 3 301.434 0.646 20 30 DCEDHO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999145661 665585313 /nfs/dbraw/zinc/58/53/13/665585313.db2.gz OQZMQPAONWBESZ-RDVIWEACSA-N 1 3 305.422 0.615 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001021089336 658750428 /nfs/dbraw/zinc/75/04/28/658750428.db2.gz DXMLAEHYIIDTRG-DJIMGWMZSA-N 1 3 319.449 0.605 20 30 DCEDHO C=CCC[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856559 665656885 /nfs/dbraw/zinc/65/68/85/665656885.db2.gz CENWCJYCHNAGSO-GNHJJJEISA-N 1 3 305.422 0.474 20 30 DCEDHO C=CCC[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856560 665656931 /nfs/dbraw/zinc/65/69/31/665656931.db2.gz CENWCJYCHNAGSO-GULBITTBSA-N 1 3 305.422 0.474 20 30 DCEDHO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999767456 665681547 /nfs/dbraw/zinc/68/15/47/665681547.db2.gz YBRZQEAKTBHUBQ-DGNOSDGRSA-N 1 3 303.406 0.063 20 30 DCEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498914 659629085 /nfs/dbraw/zinc/62/90/85/659629085.db2.gz QIMYGYNQSWIXFF-GARNVTTQSA-N 1 3 319.449 0.958 20 30 DCEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498914 659629087 /nfs/dbraw/zinc/62/90/87/659629087.db2.gz QIMYGYNQSWIXFF-GARNVTTQSA-N 1 3 319.449 0.958 20 30 DCEDHO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698175 661764663 /nfs/dbraw/zinc/76/46/63/661764663.db2.gz BRRSNNHESLTZJW-VUGNNNGISA-N 1 3 319.449 0.864 20 30 DCEDHO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698175 661764665 /nfs/dbraw/zinc/76/46/65/661764665.db2.gz BRRSNNHESLTZJW-VUGNNNGISA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001029004056 661930675 /nfs/dbraw/zinc/93/06/75/661930675.db2.gz SKTCHCFSCSLBTP-LSDHHAIUSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001029004056 661930677 /nfs/dbraw/zinc/93/06/77/661930677.db2.gz SKTCHCFSCSLBTP-LSDHHAIUSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543756 662476315 /nfs/dbraw/zinc/47/63/15/662476315.db2.gz RMMDWGWQWGGYDG-HQVVEAJESA-N 1 3 317.433 0.406 20 30 DCEDHO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543756 662476316 /nfs/dbraw/zinc/47/63/16/662476316.db2.gz RMMDWGWQWGGYDG-HQVVEAJESA-N 1 3 317.433 0.406 20 30 DCEDHO C#CCN(C(=S)NC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000899613866 663158148 /nfs/dbraw/zinc/15/81/48/663158148.db2.gz RHXHLPMRSJGWNK-UHFFFAOYSA-N 1 3 308.495 0.985 20 30 DCEDHO CCO[C@H](CNC[C@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580553 663566722 /nfs/dbraw/zinc/56/67/22/663566722.db2.gz OLAWZHWYLZFRAZ-HUUCEWRRSA-N 1 3 313.442 0.614 20 30 DCEDHO CCO[C@H](CNC[C@@H](O)CC1(C#N)CCOCC1)C[NH+](C)C ZINC000905580556 663566879 /nfs/dbraw/zinc/56/68/79/663566879.db2.gz OLAWZHWYLZFRAZ-LSDHHAIUSA-N 1 3 313.442 0.614 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCO)CC3)CC1 ZINC000992513162 664730571 /nfs/dbraw/zinc/73/05/71/664730571.db2.gz VPXBUQMQMBUEKV-WMZOPIPTSA-N 1 3 319.449 0.437 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513162 664730572 /nfs/dbraw/zinc/73/05/72/664730572.db2.gz VPXBUQMQMBUEKV-WMZOPIPTSA-N 1 3 319.449 0.437 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033280063 666659898 /nfs/dbraw/zinc/65/98/98/666659898.db2.gz ZVFACSLYXBREGT-NDUQDZPOSA-N 1 3 317.433 0.406 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033280063 666659901 /nfs/dbraw/zinc/65/99/01/666659901.db2.gz ZVFACSLYXBREGT-NDUQDZPOSA-N 1 3 317.433 0.406 20 30 DCEDHO C=C(C[NH+](C)C)C(=O)Nc1cc(N2CCN(C)CC2)ccn1 ZINC000870667043 667750955 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COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001495667350 1018638197 /nfs/dbraw/zinc/63/81/97/1018638197.db2.gz QJWMVXOGURQZFT-HZPDHXFCSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001501952959 1019584224 /nfs/dbraw/zinc/58/42/24/1019584224.db2.gz ZGCLRGGCATXDKV-MRXNPFEDSA-N 1 3 319.449 0.607 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2CCC)CCO1 ZINC001502056305 1019667092 /nfs/dbraw/zinc/66/70/92/1019667092.db2.gz URRMCYFNYFZQRL-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1CCOCC1 ZINC000273041521 238287164 /nfs/dbraw/zinc/28/71/64/238287164.db2.gz ZNYNTHRCGIJVEX-MRXNPFEDSA-N 1 3 318.421 0.400 20 30 DCEDHO C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)CN(C)C ZINC000291872867 533365137 /nfs/dbraw/zinc/36/51/37/533365137.db2.gz HNHPJRDRSJNYCJ-ZDUSSCGKSA-N 1 3 305.430 0.111 20 30 DCEDHO C=C[C@@](C)(O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000330837695 416241274 /nfs/dbraw/zinc/24/12/74/416241274.db2.gz 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DCEDHO C=CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755682422 1189183513 /nfs/dbraw/zinc/18/35/13/1189183513.db2.gz SIQPQYZTEIAORD-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203443083 749109085 /nfs/dbraw/zinc/10/90/85/749109085.db2.gz PZHQTAZATWOINK-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001122536230 751089751 /nfs/dbraw/zinc/08/97/51/751089751.db2.gz VTCKULMTHRIHFD-HZPDHXFCSA-N 1 3 305.422 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC)C[C@H]2O)CC1 ZINC001078227170 753122399 /nfs/dbraw/zinc/12/23/99/753122399.db2.gz MIATVDUVFXRBRN-DJIMGWMZSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2O)CC1 ZINC001078227170 753122402 /nfs/dbraw/zinc/12/24/02/753122402.db2.gz MIATVDUVFXRBRN-DJIMGWMZSA-N 1 3 321.465 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CCOC)CC2)CC1 ZINC001045647263 753277938 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ZINC001179976194 771041473 /nfs/dbraw/zinc/04/14/73/771041473.db2.gz JMKVTVHAMYPURJ-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179976194 771041478 /nfs/dbraw/zinc/04/14/78/771041478.db2.gz JMKVTVHAMYPURJ-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]CC#CC)[C@@H]2C)CC1 ZINC001180204688 771074124 /nfs/dbraw/zinc/07/41/24/771074124.db2.gz ZMSOEDPBGWUZEJ-RDJZCZTQSA-N 1 3 301.434 0.934 20 30 DCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401619 771911791 /nfs/dbraw/zinc/91/17/91/771911791.db2.gz VBVFJXMFKNXTMX-OAHLLOKOSA-N 1 3 322.453 0.329 20 30 DCEDHO CN(C)/C=N/c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1C#N ZINC001163252143 772492080 /nfs/dbraw/zinc/49/20/80/772492080.db2.gz FMDHZHCKIPWHTA-BXBWPVBISA-N 1 3 312.377 0.770 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166743990 772855026 /nfs/dbraw/zinc/85/50/26/772855026.db2.gz BYGLFJWNCYOYGR-AWEZNQCLSA-N 1 3 324.469 0.505 20 30 DCEDHO C=CC[NH2+]CC1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001205719280 773013393 /nfs/dbraw/zinc/01/33/93/773013393.db2.gz HJPYUZWXNCIEKN-UPTPFMHGSA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314310 773590193 /nfs/dbraw/zinc/59/01/93/773590193.db2.gz IECGUSJFMAIWGO-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198653079 773957904 /nfs/dbraw/zinc/95/79/04/773957904.db2.gz HCUOSTCFNGUWHP-ARFHVFGLSA-N 1 3 309.454 0.846 20 30 DCEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198653079 773957908 /nfs/dbraw/zinc/95/79/08/773957908.db2.gz HCUOSTCFNGUWHP-ARFHVFGLSA-N 1 3 309.454 0.846 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)CCCO1 ZINC001200626783 774378489 /nfs/dbraw/zinc/37/84/89/774378489.db2.gz BXCYLUDXEAMTRT-CABCVRRESA-N 1 3 313.417 0.507 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226471 774467233 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COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001272565807 942827790 /nfs/dbraw/zinc/82/77/90/942827790.db2.gz OZUDRIZOPKIGNR-DLBZAZTESA-N 1 3 321.465 0.806 20 30 DCEDHO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001484240250 943244890 /nfs/dbraw/zinc/24/48/90/943244890.db2.gz AHFKFQPYYCLMRN-NVXWUHKLSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001484240250 943244893 /nfs/dbraw/zinc/24/48/93/943244893.db2.gz AHFKFQPYYCLMRN-NVXWUHKLSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491261520 943876284 /nfs/dbraw/zinc/87/62/84/943876284.db2.gz WAVPACFZGHABBA-HNNXBMFYSA-N 1 3 322.453 0.048 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001485938757 944420752 /nfs/dbraw/zinc/42/07/52/944420752.db2.gz SCYSDYPPYNXHOG-INIZCTEOSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001276921988 944594204 /nfs/dbraw/zinc/59/42/04/944594204.db2.gz RQUMORUELKJRPY-HZPDHXFCSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=C)C)CC1 ZINC001486359248 944823082 /nfs/dbraw/zinc/82/30/82/944823082.db2.gz SODZHIDZSUBUDT-KRWDZBQOSA-N 1 3 321.465 0.659 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(=C)C)CC1 ZINC001486359248 944823091 /nfs/dbraw/zinc/82/30/91/944823091.db2.gz SODZHIDZSUBUDT-KRWDZBQOSA-N 1 3 321.465 0.659 20 30 DCEDHO C=CCN1CC[C@]2(CCCN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246704928 945465819 /nfs/dbraw/zinc/46/58/19/945465819.db2.gz QKJXEKIGSVQANY-WBVHZDCISA-N 1 3 318.465 0.581 20 30 DCEDHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC#Cc2ccccc2)C1 ZINC001320313798 945818181 /nfs/dbraw/zinc/81/81/81/945818181.db2.gz NPDJRVGIMXJLHP-SJORKVTESA-N 1 3 315.417 0.057 20 30 DCEDHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCC#Cc2ccccc2)C1 ZINC001320313798 945818187 /nfs/dbraw/zinc/81/81/87/945818187.db2.gz NPDJRVGIMXJLHP-SJORKVTESA-N 1 3 315.417 0.057 20 30 DCEDHO C=C(Cl)CNC/C=C/CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001321400623 946314643 /nfs/dbraw/zinc/31/46/43/946314643.db2.gz CXOKLQHJCBYWQR-OOPCZODUSA-N 1 3 315.845 0.969 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCO1 ZINC001273261969 946343262 /nfs/dbraw/zinc/34/32/62/946343262.db2.gz ZXLKWPIXRSIUKP-CVEARBPZSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321661826 946419014 /nfs/dbraw/zinc/41/90/14/946419014.db2.gz CRCOZRABBJRUBB-CABCVRRESA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109713 947658024 /nfs/dbraw/zinc/65/80/24/947658024.db2.gz GVUQGRUFRYLPOO-NVXWUHKLSA-N 1 3 309.454 0.846 20 30 DCEDHO C=CCN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325109713 947658030 /nfs/dbraw/zinc/65/80/30/947658030.db2.gz GVUQGRUFRYLPOO-NVXWUHKLSA-N 1 3 309.454 0.846 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001263835185 948772298 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DCEDHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1C#N ZINC000261604364 396048607 /nfs/dbraw/zinc/04/86/07/396048607.db2.gz ADFFKYJNMZESCK-HNNXBMFYSA-N 1 3 316.405 0.854 20 30 DCEDHO C#CCN1CCC(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CC1 ZINC000490901193 397499042 /nfs/dbraw/zinc/49/90/42/397499042.db2.gz ZLTLRURLVLXHSI-GJZGRUSLSA-N 1 3 309.479 0.836 20 30 DCEDHO C#CCN1CCC(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)CC1 ZINC000490901193 397499044 /nfs/dbraw/zinc/49/90/44/397499044.db2.gz ZLTLRURLVLXHSI-GJZGRUSLSA-N 1 3 309.479 0.836 20 30 DCEDHO C=CCN1CC[C@H](N(C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000337190541 415924474 /nfs/dbraw/zinc/92/44/74/415924474.db2.gz SPENTSMZSOPQJJ-INIZCTEOSA-N 1 3 308.470 0.731 20 30 DCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000419566543 416404263 /nfs/dbraw/zinc/40/42/63/416404263.db2.gz GQHVKUOMFCOIKO-GJZGRUSLSA-N 1 3 322.453 0.361 20 30 DCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000491407583 416597475 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C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001733820773 1186460922 /nfs/dbraw/zinc/46/09/22/1186460922.db2.gz DJOAMXCCZVCWFV-GDBMZVCRSA-N 1 3 315.433 0.795 20 30 DCEDHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167814759 748368324 /nfs/dbraw/zinc/36/83/24/748368324.db2.gz CRRUSUYRDWQRDU-UHFFFAOYSA-N 1 3 309.454 0.854 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957031 755885602 /nfs/dbraw/zinc/88/56/02/755885602.db2.gz CJBFVOUOIGDHRA-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957031 755885607 /nfs/dbraw/zinc/88/56/07/755885607.db2.gz CJBFVOUOIGDHRA-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)COC)C[C@H]2C)CC1 ZINC001080997904 756417337 /nfs/dbraw/zinc/41/73/37/756417337.db2.gz OMSKGCVQXALTCU-BFYDXBDKSA-N 1 3 321.465 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2C)CC1 ZINC001080997904 756417341 /nfs/dbraw/zinc/41/73/41/756417341.db2.gz OMSKGCVQXALTCU-BFYDXBDKSA-N 1 3 321.465 0.803 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001098403955 762666886 /nfs/dbraw/zinc/66/68/86/762666886.db2.gz AGXQNGKXIAXOKK-MRXNPFEDSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001098403955 762666889 /nfs/dbraw/zinc/66/68/89/762666889.db2.gz AGXQNGKXIAXOKK-MRXNPFEDSA-N 1 3 309.454 0.635 20 30 DCEDHO C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098391738 759217169 /nfs/dbraw/zinc/21/71/69/759217169.db2.gz HLDFWAXUERQXIE-MRXNPFEDSA-N 1 3 309.454 0.798 20 30 DCEDHO C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098391738 759217179 /nfs/dbraw/zinc/21/71/79/759217179.db2.gz HLDFWAXUERQXIE-MRXNPFEDSA-N 1 3 309.454 0.798 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098451112 760305206 /nfs/dbraw/zinc/30/52/06/760305206.db2.gz WEYLCTXTJSJMFZ-MRXNPFEDSA-N 1 3 307.438 0.389 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098451112 760305218 /nfs/dbraw/zinc/30/52/18/760305218.db2.gz WEYLCTXTJSJMFZ-MRXNPFEDSA-N 1 3 307.438 0.389 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310306 761168043 /nfs/dbraw/zinc/16/80/43/761168043.db2.gz UWMWJQZKBBSUHV-KFWWJZLASA-N 1 3 318.425 0.147 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310306 761168045 /nfs/dbraw/zinc/16/80/45/761168045.db2.gz UWMWJQZKBBSUHV-KFWWJZLASA-N 1 3 318.425 0.147 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096597 763123659 /nfs/dbraw/zinc/12/36/59/763123659.db2.gz LVJGSJNLANFEFA-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C=CCN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096597 763123663 /nfs/dbraw/zinc/12/36/63/763123663.db2.gz LVJGSJNLANFEFA-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C#CCCN1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938223 763142758 /nfs/dbraw/zinc/14/27/58/763142758.db2.gz SKAIAVKHHJBFMH-CVEARBPZSA-N 1 3 321.465 0.826 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173957 763163475 /nfs/dbraw/zinc/16/34/75/763163475.db2.gz XCFLXIMQVMYOGN-CQSZACIVSA-N 1 3 322.453 0.259 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001098477803 764142855 /nfs/dbraw/zinc/14/28/55/764142855.db2.gz KLPUTVIIHWCUHH-MRXNPFEDSA-N 1 3 321.465 0.637 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001098477803 764142860 /nfs/dbraw/zinc/14/28/60/764142860.db2.gz KLPUTVIIHWCUHH-MRXNPFEDSA-N 1 3 321.465 0.637 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583477 765580836 /nfs/dbraw/zinc/58/08/36/765580836.db2.gz LFMZKOBJUXBOBU-KGLIPLIRSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474202 765939759 /nfs/dbraw/zinc/93/97/59/765939759.db2.gz JTVFXGVNKZBVHN-CABCVRRESA-N 1 3 324.469 0.197 20 30 DCEDHO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001149849994 768882772 /nfs/dbraw/zinc/88/27/72/768882772.db2.gz XTHUMTBPZBNICU-JKSUJKDBSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001149849994 768882785 /nfs/dbraw/zinc/88/27/85/768882785.db2.gz XTHUMTBPZBNICU-JKSUJKDBSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937238 768911960 /nfs/dbraw/zinc/91/19/60/768911960.db2.gz RTSITPAIAWJTDQ-HNNXBMFYSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCCN1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149937238 768911965 /nfs/dbraw/zinc/91/19/65/768911965.db2.gz RTSITPAIAWJTDQ-HNNXBMFYSA-N 1 3 309.454 0.947 20 30 DCEDHO C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073222 769252323 /nfs/dbraw/zinc/25/23/23/769252323.db2.gz GRLHSFWSJNLBLF-HUUCEWRRSA-N 1 3 324.469 0.457 20 30 DCEDHO C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073222 769252327 /nfs/dbraw/zinc/25/23/27/769252327.db2.gz GRLHSFWSJNLBLF-HUUCEWRRSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CN(C)CCC)C1=O ZINC001171763001 769369878 /nfs/dbraw/zinc/36/98/78/769369878.db2.gz PSMRFTFYCGYSQT-AWEZNQCLSA-N 1 3 310.442 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2cccnc2)CC1 ZINC001152334832 769529392 /nfs/dbraw/zinc/52/93/92/769529392.db2.gz QQYHJLLJKBLSGJ-UHFFFAOYSA-N 1 3 300.406 0.633 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001176926824 770227748 /nfs/dbraw/zinc/22/77/48/770227748.db2.gz WPFHUAFSTRFVLZ-INIZCTEOSA-N 1 3 321.465 0.854 20 30 DCEDHO CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374784 770800249 /nfs/dbraw/zinc/80/02/49/770800249.db2.gz XIILKSHDHDTWJV-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO CCN(CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374784 770800257 /nfs/dbraw/zinc/80/02/57/770800257.db2.gz XIILKSHDHDTWJV-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179976043 771041624 /nfs/dbraw/zinc/04/16/24/771041624.db2.gz GNHHRZKPROACPX-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179976043 771041629 /nfs/dbraw/zinc/04/16/29/771041629.db2.gz GNHHRZKPROACPX-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179983131 771043526 /nfs/dbraw/zinc/04/35/26/771043526.db2.gz MCRQFNDSLKFUKT-ILXRZTDVSA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180221592 771076399 /nfs/dbraw/zinc/07/63/99/771076399.db2.gz AVFRUUZUMRAUPC-KBPBESRZSA-N 1 3 310.442 0.208 20 30 DCEDHO COc1ccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1C#N ZINC001151049615 771318671 /nfs/dbraw/zinc/31/86/71/771318671.db2.gz UNRNQDPQACOUMW-CQSZACIVSA-N 1 3 316.405 0.724 20 30 DCEDHO COc1ccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C#N ZINC001151049615 771318673 /nfs/dbraw/zinc/31/86/73/771318673.db2.gz UNRNQDPQACOUMW-CQSZACIVSA-N 1 3 316.405 0.724 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001183040600 771595972 /nfs/dbraw/zinc/59/59/72/771595972.db2.gz UNUGRFDFZIUSDJ-CABCVRRESA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001183040600 771595977 /nfs/dbraw/zinc/59/59/77/771595977.db2.gz UNUGRFDFZIUSDJ-CABCVRRESA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183591725 771672090 /nfs/dbraw/zinc/67/20/90/771672090.db2.gz KUTCZGDXUNUMEA-MGPQQGTHSA-N 1 3 310.442 0.208 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158179820 771735511 /nfs/dbraw/zinc/73/55/11/771735511.db2.gz QLVAFOADIRLTEK-BZUAXINKSA-N 1 3 314.389 0.395 20 30 DCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001159381774 771904032 /nfs/dbraw/zinc/90/40/32/771904032.db2.gz FXAMGDFGAGJPNS-ZDUSSCGKSA-N 1 3 321.425 0.074 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010604 772778807 /nfs/dbraw/zinc/77/88/07/772778807.db2.gz PPPRKVFRPZWGBK-UONOGXRCSA-N 1 3 312.458 0.359 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714981 772920821 /nfs/dbraw/zinc/92/08/21/772920821.db2.gz WMLZUUJRALIFLO-CQSZACIVSA-N 1 3 322.453 0.354 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCO)C2)CC1 ZINC001194246523 773167563 /nfs/dbraw/zinc/16/75/63/773167563.db2.gz NXHXLVWQUCHKHD-MRXNPFEDSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCO)C2)CC1 ZINC001194246523 773167564 /nfs/dbraw/zinc/16/75/64/773167564.db2.gz NXHXLVWQUCHKHD-MRXNPFEDSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H](C)OC)C2)CC1 ZINC001194247349 773167651 /nfs/dbraw/zinc/16/76/51/773167651.db2.gz XBNACOJAMLXRAI-RDJZCZTQSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)OC)C2)CC1 ZINC001194247349 773167652 /nfs/dbraw/zinc/16/76/52/773167652.db2.gz XBNACOJAMLXRAI-RDJZCZTQSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCCCN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209263834 773577569 /nfs/dbraw/zinc/57/75/69/773577569.db2.gz QSLNNXHLBCICLZ-UHFFFAOYSA-N 1 3 301.438 0.860 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216844400 774142556 /nfs/dbraw/zinc/14/25/56/774142556.db2.gz AXBZTJXVUFAIKD-ZACQAIPSSA-N 1 3 321.465 0.947 20 30 DCEDHO N#Cc1c(NC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)sc2c1CCNC2 ZINC001218552833 774246168 /nfs/dbraw/zinc/24/61/68/774246168.db2.gz KQJUCCMUWHOWLD-GRYCIOLGSA-N 1 3 318.402 0.438 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201239866 774469019 /nfs/dbraw/zinc/46/90/19/774469019.db2.gz OJBKIOBEMAPHFY-UKRRQHHQSA-N 1 3 324.469 0.598 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201576631 774527242 /nfs/dbraw/zinc/52/72/42/774527242.db2.gz LVHDCGQOZDOEPJ-KRWDZBQOSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214416 774735760 /nfs/dbraw/zinc/73/57/60/774735760.db2.gz BPSYYKBDPLOHMT-JONQDZQNSA-N 1 3 309.454 0.844 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214416 774735763 /nfs/dbraw/zinc/73/57/63/774735763.db2.gz BPSYYKBDPLOHMT-JONQDZQNSA-N 1 3 309.454 0.844 20 30 DCEDHO C#CCN1CCC(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001224582824 775585854 /nfs/dbraw/zinc/58/58/54/775585854.db2.gz CKIGLQWUANXOQI-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCOCCN1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001229185204 776166722 /nfs/dbraw/zinc/16/67/22/776166722.db2.gz IQVCTKMGHQBGNM-GDBMZVCRSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCOCCN1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001229185204 776166725 /nfs/dbraw/zinc/16/67/25/776166725.db2.gz IQVCTKMGHQBGNM-GDBMZVCRSA-N 1 3 309.454 0.967 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C[C@@H](C)O)C2CC2)CC1 ZINC001266621573 939181806 /nfs/dbraw/zinc/18/18/06/939181806.db2.gz GKFPZQBUCYJUNB-CQSZACIVSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](C[C@@H](C)O)C2CC2)CC1 ZINC001266621573 939181809 /nfs/dbraw/zinc/18/18/09/939181809.db2.gz GKFPZQBUCYJUNB-CQSZACIVSA-N 1 3 307.438 0.293 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001267197047 939382337 /nfs/dbraw/zinc/38/23/37/939382337.db2.gz QDEJEKLBDQFZOB-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267565848 939501829 /nfs/dbraw/zinc/50/18/29/939501829.db2.gz VVLJIQMWLQHOMG-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267601923 939544431 /nfs/dbraw/zinc/54/44/31/939544431.db2.gz TYXBUEYPJPHZEJ-JKSUJKDBSA-N 1 3 307.438 0.416 20 30 DCEDHO COCC#CCN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267601923 939544430 /nfs/dbraw/zinc/54/44/30/939544430.db2.gz TYXBUEYPJPHZEJ-JKSUJKDBSA-N 1 3 307.438 0.416 20 30 DCEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001481301852 939731483 /nfs/dbraw/zinc/73/14/83/939731483.db2.gz DKNTYCHXURZKFS-HUUCEWRRSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001481301852 939731487 /nfs/dbraw/zinc/73/14/87/939731487.db2.gz DKNTYCHXURZKFS-HUUCEWRRSA-N 1 3 322.453 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C[C@@H](C)O)C(C)C)CC1 ZINC001481357405 939759501 /nfs/dbraw/zinc/75/95/01/939759501.db2.gz CGPIAWZXXRQAIA-MRXNPFEDSA-N 1 3 323.481 0.929 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@H+](C[C@@H](C)O)C(C)C)CC1 ZINC001481357405 939759503 /nfs/dbraw/zinc/75/95/03/939759503.db2.gz CGPIAWZXXRQAIA-MRXNPFEDSA-N 1 3 323.481 0.929 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268553819 940231805 /nfs/dbraw/zinc/23/18/05/940231805.db2.gz YIBZEPSXVCNAHQ-QGZUEGPWSA-N 1 3 307.438 0.773 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268553819 940231809 /nfs/dbraw/zinc/23/18/09/940231809.db2.gz YIBZEPSXVCNAHQ-QGZUEGPWSA-N 1 3 307.438 0.773 20 30 DCEDHO C#CC[N@@H+](CCOC)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001269649588 940749558 /nfs/dbraw/zinc/74/95/58/940749558.db2.gz HYJWJLRSRYEJEE-UHFFFAOYSA-N 1 3 307.438 0.655 20 30 DCEDHO C#CC[N@H+](CCOC)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001269649588 940749559 /nfs/dbraw/zinc/74/95/59/940749559.db2.gz HYJWJLRSRYEJEE-UHFFFAOYSA-N 1 3 307.438 0.655 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001482438132 941221246 /nfs/dbraw/zinc/22/12/46/941221246.db2.gz BQHUGIKLWOEEEM-LSDHHAIUSA-N 1 3 324.469 0.455 20 30 DCEDHO C=C(C)CN1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484223999 943217636 /nfs/dbraw/zinc/21/76/36/943217636.db2.gz PXSOIPXZPSPRNZ-RDJZCZTQSA-N 1 3 309.454 0.990 20 30 DCEDHO C=C(C)CN1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484223999 943217641 /nfs/dbraw/zinc/21/76/41/943217641.db2.gz PXSOIPXZPSPRNZ-RDJZCZTQSA-N 1 3 309.454 0.990 20 30 DCEDHO CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001484421335 943367855 /nfs/dbraw/zinc/36/78/55/943367855.db2.gz YHMOMRVDSBZEFJ-MRXNPFEDSA-N 1 3 308.470 0.520 20 30 DCEDHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001490895890 943581913 /nfs/dbraw/zinc/58/19/13/943581913.db2.gz ISWMSHFXOBMJLC-RBSFLKMASA-N 1 3 313.417 0.553 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484855078 943602063 /nfs/dbraw/zinc/60/20/63/943602063.db2.gz HANQDLMONBXQFK-QGZVFWFLSA-N 1 3 309.454 0.685 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001485883168 944377900 /nfs/dbraw/zinc/37/79/00/944377900.db2.gz ZUMYATIEOMGMDT-ZIAGYGMSSA-N 1 3 322.453 0.045 20 30 DCEDHO COCC#CC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001317015911 944741837 /nfs/dbraw/zinc/74/18/37/944741837.db2.gz JJSNOQFTFHIKPU-MRXNPFEDSA-N 1 3 307.438 0.605 20 30 DCEDHO C=CCN1CC[C@H](N[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001317265244 944886528 /nfs/dbraw/zinc/88/65/28/944886528.db2.gz NNKVIZDRMNKFQW-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCN1CC[C@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001319525194 945610896 /nfs/dbraw/zinc/61/08/96/945610896.db2.gz MJVQEMVBVOTCLY-KBPBESRZSA-N 1 3 310.442 0.162 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001319592106 945626745 /nfs/dbraw/zinc/62/67/45/945626745.db2.gz GYBPHAIXOOIXSN-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCOC[C@@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001251896136 945812025 /nfs/dbraw/zinc/81/20/25/945812025.db2.gz BGFMCRFJGKZFSG-KRWDZBQOSA-N 1 3 310.438 0.478 20 30 DCEDHO C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001278801621 946421713 /nfs/dbraw/zinc/42/17/13/946421713.db2.gz YQOOCTNCVQCJGX-ZOBUZTSGSA-N 1 3 309.454 0.846 20 30 DCEDHO C=C(C)CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278801621 946421717 /nfs/dbraw/zinc/42/17/17/946421717.db2.gz YQOOCTNCVQCJGX-ZOBUZTSGSA-N 1 3 309.454 0.846 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001273910157 948676699 /nfs/dbraw/zinc/67/66/99/948676699.db2.gz DYTQLPRVFKAMEX-SFHVURJKSA-N 1 3 323.481 0.931 20 30 DCEDHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC001329038535 949304657 /nfs/dbraw/zinc/30/46/57/949304657.db2.gz GYQMAHMUZYBGGO-HNNXBMFYSA-N 1 3 310.442 0.967 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001265947761 950180501 /nfs/dbraw/zinc/18/05/01/950180501.db2.gz XMVMOWHOFZZLAR-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO N#CCCC[C@@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001330608628 950545853 /nfs/dbraw/zinc/54/58/53/950545853.db2.gz SEOJKUQJKMEDOX-LSDHHAIUSA-N 1 3 308.426 0.625 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001331133190 950941834 /nfs/dbraw/zinc/94/18/34/950941834.db2.gz PDTYAZQTBPMTAI-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001331133190 950941851 /nfs/dbraw/zinc/94/18/51/950941851.db2.gz PDTYAZQTBPMTAI-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274619857 951748119 /nfs/dbraw/zinc/74/81/19/951748119.db2.gz FEMQLDWQPXPCQE-DOTOQJQBSA-N 1 3 309.454 0.800 20 30 DCEDHO C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274619857 951748121 /nfs/dbraw/zinc/74/81/21/951748121.db2.gz FEMQLDWQPXPCQE-DOTOQJQBSA-N 1 3 309.454 0.800 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001333120065 951925471 /nfs/dbraw/zinc/92/54/71/951925471.db2.gz MUUCUKMSHBEXOK-RUXDESIVSA-N 1 3 310.442 0.208 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCn2cccn2)CC1 ZINC001275038107 951941120 /nfs/dbraw/zinc/94/11/20/951941120.db2.gz FGKJBEQWZPAGQP-OAHLLOKOSA-N 1 3 317.437 0.323 20 30 DCEDHO C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001281810172 953371244 /nfs/dbraw/zinc/37/12/44/953371244.db2.gz QFVYMVXGFVIUMM-MRXNPFEDSA-N 1 3 321.465 0.826 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001284336839 955018301 /nfs/dbraw/zinc/01/83/01/955018301.db2.gz WBKSYKWMIMTSHG-UONOGXRCSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC001284446199 955102222 /nfs/dbraw/zinc/10/22/22/955102222.db2.gz COCSJXHUOWZXJG-CVEARBPZSA-N 1 3 309.454 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001491682506 959045799 /nfs/dbraw/zinc/04/57/99/959045799.db2.gz MBZCTSFZLWCIGB-HUUCEWRRSA-N 1 3 309.454 0.587 20 30 DCEDHO COCC#CC[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001505518664 1016283734 /nfs/dbraw/zinc/28/37/34/1016283734.db2.gz RNGAWEMZPDCCPW-QQFBHYJXSA-N 1 3 307.438 0.462 20 30 DCEDHO C#CCO[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001442644490 1009567695 /nfs/dbraw/zinc/56/76/95/1009567695.db2.gz ZGFGAXRCYMXQFE-AWEZNQCLSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@H+](CC#C)C2CC2)CC1 ZINC001479881219 1017934101 /nfs/dbraw/zinc/93/41/01/1017934101.db2.gz WFUKOFWJXMFCNB-UHFFFAOYSA-N 1 3 301.434 0.936 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC#C)C2CC2)CC1 ZINC001479881219 1017934113 /nfs/dbraw/zinc/93/41/13/1017934113.db2.gz WFUKOFWJXMFCNB-UHFFFAOYSA-N 1 3 301.434 0.936 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC001499459354 1017940584 /nfs/dbraw/zinc/94/05/84/1017940584.db2.gz XKAGKUVAPKBPAX-OAHLLOKOSA-N 1 3 319.449 0.607 20 30 DCEDHO COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001480020465 1018132717 /nfs/dbraw/zinc/13/27/17/1018132717.db2.gz SKSSKJACOFIMRZ-IAGOWNOFSA-N 1 3 321.465 0.993 20 30 DCEDHO COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001480020467 1018133398 /nfs/dbraw/zinc/13/33/98/1018133398.db2.gz SKSSKJACOFIMRZ-SJORKVTESA-N 1 3 321.465 0.993 20 30 DCEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001495578492 1018582754 /nfs/dbraw/zinc/58/27/54/1018582754.db2.gz UIVIUVFTMGNXQL-LSDHHAIUSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495578492 1018582765 /nfs/dbraw/zinc/58/27/65/1018582765.db2.gz UIVIUVFTMGNXQL-LSDHHAIUSA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001498457936 1019139244 /nfs/dbraw/zinc/13/92/44/1019139244.db2.gz VFMVVSGZUZORCE-LSDHHAIUSA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)OC)CC1 ZINC001498457936 1019139249 /nfs/dbraw/zinc/13/92/49/1019139249.db2.gz VFMVVSGZUZORCE-LSDHHAIUSA-N 1 3 309.454 0.803 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493252946 1019256803 /nfs/dbraw/zinc/25/68/03/1019256803.db2.gz AZXCZBVLMGRGIM-HOTGVXAUSA-N 1 3 309.454 0.661 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CCO1 ZINC001502056307 1019667716 /nfs/dbraw/zinc/66/77/16/1019667716.db2.gz URRMCYFNYFZQRL-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281609224 238364244 /nfs/dbraw/zinc/36/42/44/238364244.db2.gz PCHDTINZKYWGNH-RDJZCZTQSA-N 1 3 314.389 0.669 20 30 DCEDHO CN1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000330880761 396865635 /nfs/dbraw/zinc/86/56/35/396865635.db2.gz YPMQBIFDZDOFST-UHFFFAOYSA-N 1 3 312.458 0.773 20 30 DCEDHO CN1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000330880761 396865639 /nfs/dbraw/zinc/86/56/39/396865639.db2.gz YPMQBIFDZDOFST-UHFFFAOYSA-N 1 3 312.458 0.773 20 30 DCEDHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000592145126 397103347 /nfs/dbraw/zinc/10/33/47/397103347.db2.gz ODSFMTULQDMVQY-GJZGRUSLSA-N 1 3 307.442 0.246 20 30 DCEDHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000592145126 397103351 /nfs/dbraw/zinc/10/33/51/397103351.db2.gz ODSFMTULQDMVQY-GJZGRUSLSA-N 1 3 307.442 0.246 20 30 DCEDHO C[NH+]1CCC(CNC[C@@H](C#N)CCC#N)(N2CCOCC2)CC1 ZINC000579222608 397536607 /nfs/dbraw/zinc/53/66/07/397536607.db2.gz BEFZLHXGQJZZDF-MRXNPFEDSA-N 1 3 319.453 0.816 20 30 DCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000419564698 416403974 /nfs/dbraw/zinc/40/39/74/416403974.db2.gz CREHNNSIIHMREI-CABCVRRESA-N 1 3 322.453 0.279 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000491683401 416614821 /nfs/dbraw/zinc/61/48/21/416614821.db2.gz YMIOCYJDIQHEHL-MRXNPFEDSA-N 1 3 306.454 0.973 20 30 DCEDHO C#CCNC(=O)CCNCc1ccnc(OCC[NH+](C)C)c1 ZINC000491625448 416607239 /nfs/dbraw/zinc/60/72/39/416607239.db2.gz HVFBDTIDWRKJAU-UHFFFAOYSA-N 1 3 304.394 0.251 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659703862 418153610 /nfs/dbraw/zinc/15/36/10/418153610.db2.gz IYMIPGUXEWYJMN-UHFFFAOYSA-N 1 3 308.426 0.141 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659703826 418153973 /nfs/dbraw/zinc/15/39/73/418153973.db2.gz HNNOWHFSQSZVNS-HIFRSBDPSA-N 1 3 322.453 0.339 20 30 DCEDHO C=CCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662448732 418410376 /nfs/dbraw/zinc/41/03/76/418410376.db2.gz QXOHQMZPTSDVNH-LBPRGKRZSA-N 1 3 303.410 0.867 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001569567562 1161151111 /nfs/dbraw/zinc/15/11/11/1161151111.db2.gz YVFSMZUJJHVSDA-CABCVRRESA-N 1 3 322.453 0.045 20 30 DCEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC(O)CC1 ZINC000262803730 526350314 /nfs/dbraw/zinc/35/03/14/526350314.db2.gz RVIFGCSQFCUQSN-UHFFFAOYSA-N 1 3 324.469 0.664 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269073576 529100481 /nfs/dbraw/zinc/10/04/81/529100481.db2.gz HDCNHYDXYBJUTH-NSHDSACASA-N 1 3 309.374 0.180 20 30 DCEDHO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001673709572 1175227156 /nfs/dbraw/zinc/22/71/56/1175227156.db2.gz SNDKUIJFOJZLBJ-RDJZCZTQSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981646169 661189220 /nfs/dbraw/zinc/18/92/20/661189220.db2.gz IFNVARLTSOSVEB-PQUAAJSLSA-N 1 3 319.449 0.960 20 30 DCEDHO C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981646169 661189221 /nfs/dbraw/zinc/18/92/21/661189221.db2.gz IFNVARLTSOSVEB-PQUAAJSLSA-N 1 3 319.449 0.960 20 30 DCEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023499752 657935475 /nfs/dbraw/zinc/93/54/75/657935475.db2.gz GIJKMXXEOWXXBG-JBCIKUTRSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023499752 657935481 /nfs/dbraw/zinc/93/54/81/657935481.db2.gz GIJKMXXEOWXXBG-JBCIKUTRSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCN(C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027413955 659424718 /nfs/dbraw/zinc/42/47/18/659424718.db2.gz BQYDIOIFJTVLSH-HNNXBMFYSA-N 1 3 317.437 0.614 20 30 DCEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028592879 661662695 /nfs/dbraw/zinc/66/26/95/661662695.db2.gz UUELVYVSHFJKBS-DOTOQJQBSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028592879 661662696 /nfs/dbraw/zinc/66/26/96/661662696.db2.gz UUELVYVSHFJKBS-DOTOQJQBSA-N 1 3 319.449 0.701 20 30 DCEDHO C[NH+]=C(NCc1nncn1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262478593 662406137 /nfs/dbraw/zinc/40/61/37/662406137.db2.gz QUTHFUGESGXPGM-CYBMUJFWSA-N 1 3 305.430 0.451 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](C[C@H](C)O)CC2)CC1 ZINC001001471971 666056346 /nfs/dbraw/zinc/05/63/46/666056346.db2.gz PNHWOHFUZWQIMI-HNNXBMFYSA-N 1 3 319.449 0.461 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC001001471971 666056349 /nfs/dbraw/zinc/05/63/49/666056349.db2.gz PNHWOHFUZWQIMI-HNNXBMFYSA-N 1 3 319.449 0.461 20 30 DCEDHO C=CCN1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884214214 667500595 /nfs/dbraw/zinc/50/05/95/667500595.db2.gz WKCVEJFJHKNYGY-XOYHFGRZSA-N 1 3 302.422 0.892 20 30 DCEDHO N#C[C@H]1CNCC12CC(C(=O)N[C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000884376734 667534203 /nfs/dbraw/zinc/53/42/03/667534203.db2.gz PLEWCFBHJLUZTF-IOSBVQAASA-N 1 3 302.422 0.917 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327972 668602261 /nfs/dbraw/zinc/60/22/61/668602261.db2.gz ZXZHDHWBCDSLNS-RYUDHWBXSA-N 1 3 301.818 0.731 20 30 DCEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015324184 692264481 /nfs/dbraw/zinc/26/44/81/692264481.db2.gz MQDVYNYCWACMQN-KRIMKBQASA-N 1 3 303.406 0.063 20 30 DCEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015324184 692264483 /nfs/dbraw/zinc/26/44/83/692264483.db2.gz MQDVYNYCWACMQN-KRIMKBQASA-N 1 3 303.406 0.063 20 30 DCEDHO C#CCCN1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677897 694766230 /nfs/dbraw/zinc/76/62/30/694766230.db2.gz VUCSDUZVDXGYPQ-INIZCTEOSA-N 1 3 319.449 0.845 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007560 695123814 /nfs/dbraw/zinc/12/38/14/695123814.db2.gz RQQDLOKCLYNMST-ARFHVFGLSA-N 1 3 307.438 0.456 20 30 DCEDHO C#CCNC(=O)[C@H](C)NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691352526 1157650916 /nfs/dbraw/zinc/65/09/16/1157650916.db2.gz ZNVGYCPJCWEXGS-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@H](C)NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691352526 1157650918 /nfs/dbraw/zinc/65/09/18/1157650918.db2.gz ZNVGYCPJCWEXGS-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001752872182 1158422331 /nfs/dbraw/zinc/42/23/31/1158422331.db2.gz AZFWNOWIFUZXDM-ZIAGYGMSSA-N 1 3 310.442 0.256 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001752872182 1158422333 /nfs/dbraw/zinc/42/23/33/1158422333.db2.gz AZFWNOWIFUZXDM-ZIAGYGMSSA-N 1 3 310.442 0.256 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001565856599 1159913542 /nfs/dbraw/zinc/91/35/42/1159913542.db2.gz OGKLZVCKCZOUMX-WOVMCDHWSA-N 1 3 321.465 0.853 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001566890460 1160178114 /nfs/dbraw/zinc/17/81/14/1160178114.db2.gz RRFPJILZMWLISF-HUUCEWRRSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCN1CC[C@@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001569626261 1161166903 /nfs/dbraw/zinc/16/69/03/1161166903.db2.gz JWQHTPJVNOVIQJ-MRXNPFEDSA-N 1 3 320.481 0.733 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001569829342 1161280813 /nfs/dbraw/zinc/28/08/13/1161280813.db2.gz XHNPMTMHMQTMEO-JKSUJKDBSA-N 1 3 309.454 0.803 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001570370069 1161583814 /nfs/dbraw/zinc/58/38/14/1161583814.db2.gz NVMGFQNGWVPBKI-AWEZNQCLSA-N 1 3 322.453 0.354 20 30 DCEDHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC001575699755 1164111188 /nfs/dbraw/zinc/11/11/88/1164111188.db2.gz KPWXHBOZFCAAJN-CQSZACIVSA-N 1 3 310.442 0.749 20 30 DCEDHO COCC[C@@H](N)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001579000934 1165185311 /nfs/dbraw/zinc/18/53/11/1165185311.db2.gz DBHVZFDTRDOLNN-HZPDHXFCSA-N 1 3 316.405 0.613 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646794146 1172536440 /nfs/dbraw/zinc/53/64/40/1172536440.db2.gz BUBABZMXICYNQI-HZMBPMFUSA-N 1 3 309.801 0.453 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001669020477 1174877411 /nfs/dbraw/zinc/87/74/11/1174877411.db2.gz CGGKZWBSQDXEDS-VBROQKIQSA-N 1 3 322.453 0.281 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001673671878 1175222235 /nfs/dbraw/zinc/22/22/35/1175222235.db2.gz QGPPYRCTICKVHM-WMZOPIPTSA-N 1 3 321.465 0.826 20 30 DCEDHO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001673709573 1175226857 /nfs/dbraw/zinc/22/68/57/1175226857.db2.gz SNDKUIJFOJZLBJ-WBVHZDCISA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCOCCN(C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674925894 1175308727 /nfs/dbraw/zinc/30/87/27/1175308727.db2.gz REKGTSQHZJUBOA-ZBFHGGJFSA-N 1 3 309.454 0.967 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001689890956 1177105476 /nfs/dbraw/zinc/10/54/76/1177105476.db2.gz KYAYNPNBWRWLOJ-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001690584852 1177275309 /nfs/dbraw/zinc/27/53/09/1177275309.db2.gz UTWUJJRFOMSBOT-HIFRSBDPSA-N 1 3 322.453 0.352 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001699219679 1177952764 /nfs/dbraw/zinc/95/27/64/1177952764.db2.gz GDKCUFFIJHLUCK-HOTGVXAUSA-N 1 3 309.454 0.947 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699316715 1178060955 /nfs/dbraw/zinc/06/09/55/1178060955.db2.gz UWJYWFWCAGSZBA-MQTUYHIVSA-N 1 3 319.449 0.915 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001699316715 1178060961 /nfs/dbraw/zinc/06/09/61/1178060961.db2.gz UWJYWFWCAGSZBA-MQTUYHIVSA-N 1 3 319.449 0.915 20 30 DCEDHO C=C(C)C[NH2+]CC1(O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001700301036 1178572367 /nfs/dbraw/zinc/57/23/67/1178572367.db2.gz HEHHMMQQIFAFPD-UHFFFAOYSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001707088214 1180415783 /nfs/dbraw/zinc/41/57/83/1180415783.db2.gz BXAFBMMHTVTUFJ-RBSFLKMASA-N 1 3 322.453 0.115 20 30 DCEDHO C=CCN(CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208814 1180433821 /nfs/dbraw/zinc/43/38/21/1180433821.db2.gz MPPXFLRQWJLNIH-OAHLLOKOSA-N 1 3 309.454 0.800 20 30 DCEDHO COCC#CCN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713321450 1180767911 /nfs/dbraw/zinc/76/79/11/1180767911.db2.gz PFIPBLMLNMNNDI-HOTGVXAUSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CCN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713321450 1180767919 /nfs/dbraw/zinc/76/79/19/1180767919.db2.gz PFIPBLMLNMNNDI-HOTGVXAUSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001714316697 1181318747 /nfs/dbraw/zinc/31/87/47/1181318747.db2.gz XWGMZFHWQOUTOM-OAHLLOKOSA-N 1 3 322.453 0.213 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001714917203 1181600383 /nfs/dbraw/zinc/60/03/83/1181600383.db2.gz DYQASEQRDLMDFV-SOUVJXGZSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)COC)CC1 ZINC001715085232 1181683737 /nfs/dbraw/zinc/68/37/37/1181683737.db2.gz KVWVBKLJMVYMRG-GOEBONIOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001715709495 1181950935 /nfs/dbraw/zinc/95/09/35/1181950935.db2.gz SLFPSZJFOSQKDS-HIFRSBDPSA-N 1 3 322.453 0.080 20 30 DCEDHO C=CCN1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716928504 1182582668 /nfs/dbraw/zinc/58/26/68/1182582668.db2.gz CREUDUFUOMLGQL-QGZVFWFLSA-N 1 3 309.454 0.992 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001717758651 1182981206 /nfs/dbraw/zinc/98/12/06/1182981206.db2.gz ZEUSLGRLOTULLZ-DZGCQCFKSA-N 1 3 322.453 0.032 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001723329976 1184288030 /nfs/dbraw/zinc/28/80/30/1184288030.db2.gz WFUPPXKFZGWCSL-OAHLLOKOSA-N 1 3 322.453 0.115 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001724811803 1184567279 /nfs/dbraw/zinc/56/72/79/1184567279.db2.gz PSUIWLFGSKBLRX-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001724811803 1184567284 /nfs/dbraw/zinc/56/72/84/1184567284.db2.gz PSUIWLFGSKBLRX-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001724940384 1184630105 /nfs/dbraw/zinc/63/01/05/1184630105.db2.gz DXLVVQZHQHVCLU-UONOGXRCSA-N 1 3 322.453 0.067 20 30 DCEDHO C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733014121 1186103922 /nfs/dbraw/zinc/10/39/22/1186103922.db2.gz YNWPMEZNBNJZNE-GJZGRUSLSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733014121 1186103923 /nfs/dbraw/zinc/10/39/23/1186103923.db2.gz YNWPMEZNBNJZNE-GJZGRUSLSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCOC)CCC2)CC1 ZINC001733728496 1186416681 /nfs/dbraw/zinc/41/66/81/1186416681.db2.gz YPZGELUGCLHOBO-UHFFFAOYSA-N 1 3 321.465 0.997 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001733860369 1186478417 /nfs/dbraw/zinc/47/84/17/1186478417.db2.gz VTJOLKJZTCSOGH-UONOGXRCSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001734417144 1186647701 /nfs/dbraw/zinc/64/77/01/1186647701.db2.gz POGWEXDMLCYDSE-KGLIPLIRSA-N 1 3 322.453 0.352 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001734504211 1186667949 /nfs/dbraw/zinc/66/79/49/1186667949.db2.gz MTOOSCJDPWYMPH-OAHLLOKOSA-N 1 3 309.454 0.803 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001734596231 1186699457 /nfs/dbraw/zinc/69/94/57/1186699457.db2.gz JHTOMFUFERQRQN-YMAMQOFZSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H](CC)N(C)C)C2)C1=O ZINC001752665612 1188431994 /nfs/dbraw/zinc/43/19/94/1188431994.db2.gz SSKOFGMPWNVABA-TUVASFSCSA-N 1 3 322.453 0.350 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001753224696 1188540679 /nfs/dbraw/zinc/54/06/79/1188540679.db2.gz ITCNYMAHKXOZPB-AWEZNQCLSA-N 1 3 322.453 0.163 20 30 DCEDHO COCC#CCNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001754535428 1188876090 /nfs/dbraw/zinc/87/60/90/1188876090.db2.gz HYUSSTOEDCRDJH-HUUCEWRRSA-N 1 3 307.438 0.747 20 30 DCEDHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC#CCOC)C2 ZINC001754784034 1188935888 /nfs/dbraw/zinc/93/58/88/1188935888.db2.gz WYFIPOADCRUCFO-ULQDDVLXSA-N 1 3 321.465 0.947 20 30 DCEDHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC#CCOC)C2 ZINC001754784034 1188935890 /nfs/dbraw/zinc/93/58/90/1188935890.db2.gz WYFIPOADCRUCFO-ULQDDVLXSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCCO)CC2)CC1 ZINC001168320719 749915996 /nfs/dbraw/zinc/91/59/96/749915996.db2.gz MEDPJUNPBBKFRV-UHFFFAOYSA-N 1 3 321.465 0.590 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131800 750216724 /nfs/dbraw/zinc/21/67/24/750216724.db2.gz KZSGWHDLIGMWMF-ARFHVFGLSA-N 1 3 309.454 0.987 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131800 750216727 /nfs/dbraw/zinc/21/67/27/750216727.db2.gz KZSGWHDLIGMWMF-ARFHVFGLSA-N 1 3 309.454 0.987 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C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673956 773728923 /nfs/dbraw/zinc/72/89/23/773728923.db2.gz KOVLBPCKAJGCMG-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673956 773728926 /nfs/dbraw/zinc/72/89/26/773728926.db2.gz KOVLBPCKAJGCMG-GJZGRUSLSA-N 1 3 322.453 0.211 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023080 774013350 /nfs/dbraw/zinc/01/33/50/774013350.db2.gz AAMCYTWITAEOKQ-HZPDHXFCSA-N 1 3 309.454 0.990 20 30 DCEDHO N#Cc1cnc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(Br)c1 ZINC001218551277 774244988 /nfs/dbraw/zinc/24/49/88/774244988.db2.gz ATXCDTHYBSQKAN-APPZFPTMSA-N 1 3 310.155 0.343 20 30 DCEDHO N#Cc1c(NC(=O)[C@@H]([NH3+])C2CCOCC2)sc2c1CCNC2 ZINC001218552550 774245585 /nfs/dbraw/zinc/24/55/85/774245585.db2.gz IFIWGIWMOQJHIQ-ZDUSSCGKSA-N 1 3 320.418 0.958 20 30 DCEDHO COc1cc(C#N)c(F)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219107901 774373382 /nfs/dbraw/zinc/37/33/82/774373382.db2.gz YIVAZCUJKUGPQM-BDJLRTHQSA-N 1 3 318.352 0.844 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)CN(CC)CC)CCCO1 ZINC001200626786 774379721 /nfs/dbraw/zinc/37/97/21/774379721.db2.gz BXCYLUDXEAMTRT-LSDHHAIUSA-N 1 3 313.417 0.507 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCCO1 ZINC001200687628 774389652 /nfs/dbraw/zinc/38/96/52/774389652.db2.gz DOTTVWDBVFTBKM-HOTGVXAUSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200658320 774392097 /nfs/dbraw/zinc/39/20/97/774392097.db2.gz KQKXXXAADIKWFR-HOTGVXAUSA-N 1 3 305.422 0.454 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053026 774445507 /nfs/dbraw/zinc/44/55/07/774445507.db2.gz IZFXXHNKCFYONI-MRXNPFEDSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001201701394 774541009 /nfs/dbraw/zinc/54/10/09/774541009.db2.gz NBWWSXYHOQUZDV-HQVVEAJESA-N 1 3 317.433 0.454 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219736782 774593767 /nfs/dbraw/zinc/59/37/67/774593767.db2.gz HHJALWAVDHZFKA-LSDHHAIUSA-N 1 3 314.389 0.443 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001278024462 945102242 /nfs/dbraw/zinc/10/22/42/945102242.db2.gz FCUNGBDGNOLUBC-HOTGVXAUSA-N 1 3 309.454 0.947 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H](CC)N(C)C)C1=O ZINC001317626702 945124917 /nfs/dbraw/zinc/12/49/17/945124917.db2.gz DHCWNQCHGYRKDX-KBPBESRZSA-N 1 3 310.442 0.162 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854265 945210810 /nfs/dbraw/zinc/21/08/10/945210810.db2.gz OOKRXZFHNXCYKW-CABCVRRESA-N 1 3 324.469 0.409 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C[C@@H](C)OC)C2CC2)CC1 ZINC001266621616 939181918 /nfs/dbraw/zinc/18/19/18/939181918.db2.gz IMMINFKWSVNSEP-OAHLLOKOSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](C[C@@H](C)OC)C2CC2)CC1 ZINC001266621616 939181921 /nfs/dbraw/zinc/18/19/21/939181921.db2.gz IMMINFKWSVNSEP-OAHLLOKOSA-N 1 3 321.465 0.947 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001352849782 939535031 /nfs/dbraw/zinc/53/50/31/939535031.db2.gz MHGLVGXKEBYKSX-MXWKQRLJSA-N 1 3 306.332 0.993 20 30 DCEDHO C[NH+](C)CCCC(=O)NC[C@H](O)CNCC#Cc1ccccc1 ZINC001268324475 940059127 /nfs/dbraw/zinc/05/91/27/940059127.db2.gz VCTLRCYUBSEYBD-QGZVFWFLSA-N 1 3 317.433 0.447 20 30 DCEDHO C#CCC[N@@H+](CCOC)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001269644950 940749253 /nfs/dbraw/zinc/74/92/53/940749253.db2.gz VCRUIXXTDJSYDX-UHFFFAOYSA-N 1 3 318.421 0.915 20 30 DCEDHO C#CCC[N@H+](CCOC)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001269644950 940749256 /nfs/dbraw/zinc/74/92/56/940749256.db2.gz VCRUIXXTDJSYDX-UHFFFAOYSA-N 1 3 318.421 0.915 20 30 DCEDHO CC#CCN1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001270520482 940915599 /nfs/dbraw/zinc/91/55/99/940915599.db2.gz MTKIIHZYGMVUJD-INIZCTEOSA-N 1 3 306.454 0.180 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCC#Cc1ccc(F)cc1 ZINC001482764950 941661036 /nfs/dbraw/zinc/66/10/36/941661036.db2.gz ZMSQRHHJMUEUMS-INIZCTEOSA-N 1 3 321.396 0.196 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+][C@@H](C)COC)C2CC2)CC1 ZINC001483609280 942462308 /nfs/dbraw/zinc/46/23/08/942462308.db2.gz ZEXRRQXJRAOAHC-WMLDXEAASA-N 1 3 321.465 0.851 20 30 DCEDHO COCC#CCN(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001484765770 943571963 /nfs/dbraw/zinc/57/19/63/943571963.db2.gz RFFOQZNWDFXJTR-MRXNPFEDSA-N 1 3 309.454 0.758 20 30 DCEDHO COCC#CCN(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001484765770 943571965 /nfs/dbraw/zinc/57/19/65/943571965.db2.gz RFFOQZNWDFXJTR-MRXNPFEDSA-N 1 3 309.454 0.758 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001276921989 944595354 /nfs/dbraw/zinc/59/53/54/944595354.db2.gz RQUMORUELKJRPY-JKSUJKDBSA-N 1 3 319.449 0.701 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521371 945017896 /nfs/dbraw/zinc/01/78/96/945017896.db2.gz CJWJPJHOOCYBTO-RDJZCZTQSA-N 1 3 319.449 0.416 20 30 DCEDHO N#CC1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]CC1 ZINC001249269117 945626996 /nfs/dbraw/zinc/62/69/96/945626996.db2.gz BBXICRCXGSBSDH-UHFFFAOYSA-N 1 3 310.361 0.922 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@H](C)OC)CC1 ZINC001273205014 945827730 /nfs/dbraw/zinc/82/77/30/945827730.db2.gz RDEDPXPZKQCAIQ-CABCVRRESA-N 1 3 309.454 0.851 20 30 DCEDHO C#CC[N@H+]1CC[C@](O)(CNC(=O)c2sccc2CN(C)C)C1 ZINC001325101293 947653070 /nfs/dbraw/zinc/65/30/70/947653070.db2.gz FWZBKHGOFWBHLP-INIZCTEOSA-N 1 3 321.446 0.610 20 30 DCEDHO C#CC[N@@H+]1CC[C@](O)(CNC(=O)c2sccc2CN(C)C)C1 ZINC001325101293 947653076 /nfs/dbraw/zinc/65/30/76/947653076.db2.gz FWZBKHGOFWBHLP-INIZCTEOSA-N 1 3 321.446 0.610 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179554189 947870886 /nfs/dbraw/zinc/87/08/86/947870886.db2.gz UFFHTHSKHGFZLZ-AJNGGQMLSA-N 1 3 322.453 0.044 20 30 DCEDHO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609476 947873896 /nfs/dbraw/zinc/87/38/96/947873896.db2.gz QYFWDFAAOHVRLC-HNNXBMFYSA-N 1 3 324.469 0.342 20 30 DCEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C#N)CO)CC2)CC1 ZINC001328340606 948845587 /nfs/dbraw/zinc/84/55/87/948845587.db2.gz QVZKUHCLSIHOOX-CQSZACIVSA-N 1 3 308.426 0.183 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001265663887 949861086 /nfs/dbraw/zinc/86/10/86/949861086.db2.gz MVEQVGJZSYCOMP-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO N#CCCC[C@@H](N)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330608627 950544522 /nfs/dbraw/zinc/54/45/22/950544522.db2.gz SEOJKUQJKMEDOX-HUUCEWRRSA-N 1 3 308.426 0.625 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001331133201 950944132 /nfs/dbraw/zinc/94/41/32/950944132.db2.gz PDTYAZQTBPMTAI-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001331133201 950944146 /nfs/dbraw/zinc/94/41/46/950944146.db2.gz PDTYAZQTBPMTAI-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001331642709 951214891 /nfs/dbraw/zinc/21/48/91/951214891.db2.gz BXJIAQVNGMINHN-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001332341506 951596723 /nfs/dbraw/zinc/59/67/23/951596723.db2.gz PYEQCXFMYODUJU-HZPDHXFCSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC2(CC[NH+](C[C@@H](O)CN(CC)CC)CC2)C1=O ZINC001274654862 951771028 /nfs/dbraw/zinc/77/10/28/951771028.db2.gz GRPTZZXIBPEMEM-INIZCTEOSA-N 1 3 321.465 0.637 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCC[C@@H](C)O)CC1 ZINC001275459512 952162236 /nfs/dbraw/zinc/16/22/36/952162236.db2.gz QZFIAISXINCVBU-LSDHHAIUSA-N 1 3 309.454 0.587 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H]([NH2+]CCO)C(C)C)CC1 ZINC001283471554 954373226 /nfs/dbraw/zinc/37/32/26/954373226.db2.gz GFYUOLJFCPOEAH-MRXNPFEDSA-N 1 3 309.454 0.444 20 30 DCEDHO COCC#CCN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491682029 959042834 /nfs/dbraw/zinc/04/28/34/959042834.db2.gz ICLUPRLGIGSBGW-CVEARBPZSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316853550 960125916 /nfs/dbraw/zinc/12/59/16/960125916.db2.gz HIDIMRAHTPCFSN-UHFFFAOYSA-N 1 3 309.454 0.806 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325527 1016252710 /nfs/dbraw/zinc/25/27/10/1016252710.db2.gz ARQQFMCEAFTODZ-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001507427824 1016322869 /nfs/dbraw/zinc/32/28/69/1016322869.db2.gz LQUOYORDLLNRHO-NVXWUHKLSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001506065427 1016971258 /nfs/dbraw/zinc/97/12/58/1016971258.db2.gz OVFGEXQIFDCDBJ-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001506065427 1016971267 /nfs/dbraw/zinc/97/12/67/1016971267.db2.gz OVFGEXQIFDCDBJ-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001424530850 1012620147 /nfs/dbraw/zinc/62/01/47/1012620147.db2.gz PQAKZVLSRQMZFY-ZDUSSCGKSA-N 1 3 315.845 0.634 20 30 DCEDHO C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001424530850 1012620153 /nfs/dbraw/zinc/62/01/53/1012620153.db2.gz PQAKZVLSRQMZFY-ZDUSSCGKSA-N 1 3 315.845 0.634 20 30 DCEDHO COCC#CCNC1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001499371234 1017891235 /nfs/dbraw/zinc/89/12/35/1017891235.db2.gz INGABYTWIJPDHJ-UHFFFAOYSA-N 1 3 307.438 0.607 20 30 DCEDHO COCC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001499620509 1018000716 /nfs/dbraw/zinc/00/07/16/1018000716.db2.gz XDTLJRUKNNLZCC-SJLPKXTDSA-N 1 3 319.449 0.512 20 30 DCEDHO COCC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001499620509 1018000730 /nfs/dbraw/zinc/00/07/30/1018000730.db2.gz XDTLJRUKNNLZCC-SJLPKXTDSA-N 1 3 319.449 0.512 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)CC1 ZINC001480173441 1018281954 /nfs/dbraw/zinc/28/19/54/1018281954.db2.gz JFZPBHFGBWYKNF-QAQDUYKDSA-N 1 3 317.433 0.218 20 30 DCEDHO COCC#CC[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001495260506 1018428180 /nfs/dbraw/zinc/42/81/80/1018428180.db2.gz WLFXSKPATDFTAG-SFHVURJKSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001480595815 1018693881 /nfs/dbraw/zinc/69/38/81/1018693881.db2.gz DIRYKULXJGGZNE-HNNXBMFYSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001480708864 1018795854 /nfs/dbraw/zinc/79/58/54/1018795854.db2.gz HYKYVTDPCRFUEF-CABCVRRESA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCO)CCC2)CC1 ZINC001502029484 1019635310 /nfs/dbraw/zinc/63/53/10/1019635310.db2.gz ZFIPXXPIRWTHFI-UHFFFAOYSA-N 1 3 307.438 0.343 20 30 DCEDHO C#CCN(C)CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000491724179 533104209 /nfs/dbraw/zinc/10/42/09/533104209.db2.gz DWDNKHQKABUKPP-UHFFFAOYSA-N 1 3 323.485 0.267 20 30 DCEDHO CC(C)C[C@H](NC(=O)C(C)C#N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000597692549 397064884 /nfs/dbraw/zinc/06/48/84/397064884.db2.gz PUYCAQFMYKXEQX-RDBSUJKOSA-N 1 3 308.426 0.839 20 30 DCEDHO CC(C)(C#N)C[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721351 397284569 /nfs/dbraw/zinc/28/45/69/397284569.db2.gz VMTONIIXBWFBQL-KBPBESRZSA-N 1 3 310.442 0.464 20 30 DCEDHO CC(C)(C#N)C[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721351 397284575 /nfs/dbraw/zinc/28/45/75/397284575.db2.gz VMTONIIXBWFBQL-KBPBESRZSA-N 1 3 310.442 0.464 20 30 DCEDHO CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000599605679 397485944 /nfs/dbraw/zinc/48/59/44/397485944.db2.gz DASAFGVVVXVZPA-CMPLNLGQSA-N 1 3 322.390 0.856 20 30 DCEDHO CN(C)CCOc1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000104162968 415623338 /nfs/dbraw/zinc/62/33/38/415623338.db2.gz LIYYTJCGDIKZBJ-UHFFFAOYSA-N 1 3 306.410 0.774 20 30 DCEDHO C=C(C)C[NH+]1CCC(NC(=O)NCCN(C)CCOC)CC1 ZINC000106271638 415641862 /nfs/dbraw/zinc/64/18/62/415641862.db2.gz IESILOVOJHCRMU-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000417062936 416381998 /nfs/dbraw/zinc/38/19/98/416381998.db2.gz MYJWUBRLUXXDMY-HOTGVXAUSA-N 1 3 324.469 0.973 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419723953 416406659 /nfs/dbraw/zinc/40/66/59/416406659.db2.gz GKUASCLXWBICNB-HIFRSBDPSA-N 1 3 322.453 0.339 20 30 DCEDHO C#CCNC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000491155002 416586831 /nfs/dbraw/zinc/58/68/31/416586831.db2.gz OBSZVPUODSUQHJ-HZPDHXFCSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCn1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000564889167 416898815 /nfs/dbraw/zinc/89/88/15/416898815.db2.gz YEISXELAMWENKM-UHFFFAOYSA-N 1 3 323.445 0.099 20 30 DCEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652349562 417886956 /nfs/dbraw/zinc/88/69/56/417886956.db2.gz SNMPVNRBVGYLMF-YHUYYLMFSA-N 1 3 307.438 0.992 20 30 DCEDHO C[NH2+]CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418320091 262274759 /nfs/dbraw/zinc/27/47/59/262274759.db2.gz SIMBKRWJZXWMRI-UHFFFAOYSA-N 1 3 303.410 0.851 20 30 DCEDHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000330176031 336120784 /nfs/dbraw/zinc/12/07/84/336120784.db2.gz JPNUAJXVWNGBJV-CZUORRHYSA-N 1 3 324.469 0.914 20 30 DCEDHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000330176031 336120785 /nfs/dbraw/zinc/12/07/85/336120785.db2.gz JPNUAJXVWNGBJV-CZUORRHYSA-N 1 3 324.469 0.914 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](CO)CC[NH+](CC)CC)CC1 ZINC000491126414 339850194 /nfs/dbraw/zinc/85/01/94/339850194.db2.gz OCMXOKAWVRFTLB-INIZCTEOSA-N 1 3 309.454 0.541 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000249412890 341397306 /nfs/dbraw/zinc/39/73/06/341397306.db2.gz FQNVKRWHDDNGJM-HRCADAONSA-N 1 3 309.454 0.851 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001570142622 1161438410 /nfs/dbraw/zinc/43/84/10/1161438410.db2.gz QLPRNCZJVUBACJ-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001570142622 1161438419 /nfs/dbraw/zinc/43/84/19/1161438419.db2.gz QLPRNCZJVUBACJ-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000171714808 526432774 /nfs/dbraw/zinc/43/27/74/526432774.db2.gz KRTKFQABWJYXGE-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO C=CCN1CCC(NC(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000171714808 526432777 /nfs/dbraw/zinc/43/27/77/526432777.db2.gz KRTKFQABWJYXGE-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264150874 529070928 /nfs/dbraw/zinc/07/09/28/529070928.db2.gz ZBQWDGLLRHCXFG-GFCCVEGCSA-N 1 3 307.398 0.398 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278727054 529072906 /nfs/dbraw/zinc/07/29/06/529072906.db2.gz LCHUKZAOZHWRCI-CQSZACIVSA-N 1 3 318.425 0.929 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276684886 529101441 /nfs/dbraw/zinc/10/14/41/529101441.db2.gz UHTNMSBOHFPDKS-NSHDSACASA-N 1 3 308.382 0.955 20 30 DCEDHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559126 660561890 /nfs/dbraw/zinc/56/18/90/660561890.db2.gz PJIJURNTEPKLBD-UAEIHBMGSA-N 1 3 317.433 0.330 20 30 DCEDHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559126 660561891 /nfs/dbraw/zinc/56/18/91/660561891.db2.gz PJIJURNTEPKLBD-UAEIHBMGSA-N 1 3 317.433 0.330 20 30 DCEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@]2(C)C1 ZINC000982557118 661566798 /nfs/dbraw/zinc/56/67/98/661566798.db2.gz KLVCGEBFSPPDGL-ATLSCFEFSA-N 1 3 303.450 0.988 20 30 DCEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@]2(C)C1 ZINC000982557118 661566800 /nfs/dbraw/zinc/56/68/00/661566800.db2.gz KLVCGEBFSPPDGL-ATLSCFEFSA-N 1 3 303.450 0.988 20 30 DCEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028592886 661663166 /nfs/dbraw/zinc/66/31/66/661663166.db2.gz UUELVYVSHFJKBS-WBVHZDCISA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028592886 661663168 /nfs/dbraw/zinc/66/31/68/661663168.db2.gz UUELVYVSHFJKBS-WBVHZDCISA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001029003003 661930048 /nfs/dbraw/zinc/93/00/48/661930048.db2.gz GMFXIHMFXIFZLO-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001029003003 661930050 /nfs/dbraw/zinc/93/00/50/661930050.db2.gz GMFXIHMFXIFZLO-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262354880 662344672 /nfs/dbraw/zinc/34/46/72/662344672.db2.gz ZMXRHOLBZXMEDS-HNNXBMFYSA-N 1 3 321.469 0.743 20 30 DCEDHO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001772513513 1157398596 /nfs/dbraw/zinc/39/85/96/1157398596.db2.gz AFJQAXDCRSLOKO-OAHLLOKOSA-N 1 3 311.470 0.739 20 30 DCEDHO C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001772513513 1157398604 /nfs/dbraw/zinc/39/86/04/1157398604.db2.gz AFJQAXDCRSLOKO-OAHLLOKOSA-N 1 3 311.470 0.739 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069316 665291889 /nfs/dbraw/zinc/29/18/89/665291889.db2.gz FTVCLKOVECHDJY-WBVHZDCISA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069316 665291890 /nfs/dbraw/zinc/29/18/90/665291890.db2.gz FTVCLKOVECHDJY-WBVHZDCISA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CCO)CC2)CC1 ZINC001001473168 666057116 /nfs/dbraw/zinc/05/71/16/666057116.db2.gz XXILBUKKWXORFG-UHFFFAOYSA-N 1 3 305.422 0.072 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CCO)CC2)CC1 ZINC001001473168 666057120 /nfs/dbraw/zinc/05/71/20/666057120.db2.gz XXILBUKKWXORFG-UHFFFAOYSA-N 1 3 305.422 0.072 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CC#C)CC2)CC1 ZINC001002145442 666135943 /nfs/dbraw/zinc/13/59/43/666135943.db2.gz OTHQCLSDCISSHU-UHFFFAOYSA-N 1 3 301.434 0.793 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001004201281 666475938 /nfs/dbraw/zinc/47/59/38/666475938.db2.gz LUOAFBJKRKJCAS-CQSZACIVSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)C[C@@H]2C)CC1 ZINC000945185362 666578304 /nfs/dbraw/zinc/57/83/04/666578304.db2.gz ZXAYZSDQFWSAOG-DOTOQJQBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)C[C@@H]2C)CC1 ZINC000945185362 666578305 /nfs/dbraw/zinc/57/83/05/666578305.db2.gz ZXAYZSDQFWSAOG-DOTOQJQBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC[C@H]1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000733979393 666835866 /nfs/dbraw/zinc/83/58/66/666835866.db2.gz QPBBPPSXUAXBKI-INIZCTEOSA-N 1 3 306.454 0.228 20 30 DCEDHO C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000733979393 666835867 /nfs/dbraw/zinc/83/58/67/666835867.db2.gz QPBBPPSXUAXBKI-INIZCTEOSA-N 1 3 306.454 0.228 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000884642728 667581283 /nfs/dbraw/zinc/58/12/83/667581283.db2.gz PYEMZZHYXCNZAQ-OAHLLOKOSA-N 1 3 322.453 0.354 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783571 668510773 /nfs/dbraw/zinc/51/07/73/668510773.db2.gz HFZXCHVYBOOQDI-KGLIPLIRSA-N 1 3 314.861 0.695 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876783571 668510775 /nfs/dbraw/zinc/51/07/75/668510775.db2.gz HFZXCHVYBOOQDI-KGLIPLIRSA-N 1 3 314.861 0.695 20 30 DCEDHO C=CC[C@]1(C(=O)N2CCC(N3CCN(C)CC3)CC2)CCC[NH2+]1 ZINC000877251211 668584088 /nfs/dbraw/zinc/58/40/88/668584088.db2.gz JHBRTHPPLAOOCL-GOSISDBHSA-N 1 3 320.481 0.923 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001006446399 670416223 /nfs/dbraw/zinc/41/62/23/670416223.db2.gz YPJHRLOSWWWVFO-OAHLLOKOSA-N 1 3 321.465 0.635 20 30 DCEDHO C=CCN1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171745 687403504 /nfs/dbraw/zinc/40/35/04/687403504.db2.gz LERXYJFRGLJBBL-CABCVRRESA-N 1 3 307.438 0.457 20 30 DCEDHO C=CCN1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555761 687742513 /nfs/dbraw/zinc/74/25/13/687742513.db2.gz NNXJHPIRKKJJGG-HOTGVXAUSA-N 1 3 309.454 0.702 20 30 DCEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760771 694661179 /nfs/dbraw/zinc/66/11/79/694661179.db2.gz NEZXMJKSGFIZRM-HOTGVXAUSA-N 1 3 317.433 0.407 20 30 DCEDHO CC#CCN1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760771 694661180 /nfs/dbraw/zinc/66/11/80/694661180.db2.gz NEZXMJKSGFIZRM-HOTGVXAUSA-N 1 3 317.433 0.407 20 30 DCEDHO CC#CCN1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087577 694703935 /nfs/dbraw/zinc/70/39/35/694703935.db2.gz ZZMIQPYULFJEMM-UHFFFAOYSA-N 1 3 319.449 0.655 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC001076605530 695032270 /nfs/dbraw/zinc/03/22/70/695032270.db2.gz FHRXWYVOEQSRLU-DLBZAZTESA-N 1 3 319.449 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC001076605530 695032271 /nfs/dbraw/zinc/03/22/71/695032271.db2.gz FHRXWYVOEQSRLU-DLBZAZTESA-N 1 3 319.449 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCOC)CC2)CC1 ZINC001670903981 1158623975 /nfs/dbraw/zinc/62/39/75/1158623975.db2.gz VUGLIHYSRLQEAW-UHFFFAOYSA-N 1 3 307.438 0.607 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001565870257 1159917889 /nfs/dbraw/zinc/91/78/89/1159917889.db2.gz OPZRQFYUXWLJJD-WKILWMFISA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001568640761 1160719012 /nfs/dbraw/zinc/71/90/12/1160719012.db2.gz PGYGIPFEWSPJNZ-ZIAGYGMSSA-N 1 3 322.453 0.093 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001569854412 1161285487 /nfs/dbraw/zinc/28/54/87/1161285487.db2.gz BJWZONGJUHXKPS-CVEARBPZSA-N 1 3 309.454 0.661 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001570138964 1161433175 /nfs/dbraw/zinc/43/31/75/1161433175.db2.gz GOEAHJDPMZXIHC-HNNXBMFYSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570290568 1161545761 /nfs/dbraw/zinc/54/57/61/1161545761.db2.gz AIEBKTRJSWLBFA-NVXWUHKLSA-N 1 3 309.454 0.683 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001669075315 1174886246 /nfs/dbraw/zinc/88/62/46/1174886246.db2.gz OMWNKAHDGAPBFH-ARJAWSKDSA-N 1 3 307.438 0.630 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001669681797 1174943393 /nfs/dbraw/zinc/94/33/93/1174943393.db2.gz NWEHYJWVXKYXII-GJZGRUSLSA-N 1 3 324.469 0.646 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001669681797 1174943397 /nfs/dbraw/zinc/94/33/97/1174943397.db2.gz NWEHYJWVXKYXII-GJZGRUSLSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001673342897 1175193767 /nfs/dbraw/zinc/19/37/67/1175193767.db2.gz SCTBMWAAQICZJS-MRXNPFEDSA-N 1 3 307.438 0.703 20 30 DCEDHO C=CCC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001676584213 1175463237 /nfs/dbraw/zinc/46/32/37/1175463237.db2.gz QZWPLKLBEIOKHM-BBRMVZONSA-N 1 3 315.433 0.842 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001676692138 1175476487 /nfs/dbraw/zinc/47/64/87/1175476487.db2.gz AVFRUUZUMRAUPC-ZIAGYGMSSA-N 1 3 310.442 0.208 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CCOCC[NH2+]CC#CC)CC1 ZINC001677519668 1175573906 /nfs/dbraw/zinc/57/39/06/1175573906.db2.gz JTJRTYUUNLGRDP-UHFFFAOYSA-N 1 3 319.449 0.420 20 30 DCEDHO C=CCN(CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692037095 1177406992 /nfs/dbraw/zinc/40/69/92/1177406992.db2.gz UCFFQBLEQHUOOG-SJORKVTESA-N 1 3 321.465 0.800 20 30 DCEDHO COCC#CCN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692076212 1177412118 /nfs/dbraw/zinc/41/21/18/1177412118.db2.gz FACRVBJJZAPSQQ-CVEARBPZSA-N 1 3 307.438 0.368 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700029656 1178446231 /nfs/dbraw/zinc/44/62/31/1178446231.db2.gz VZGMDOFIXQUWQH-UHFFFAOYSA-N 1 3 307.438 0.296 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001700399700 1178607861 /nfs/dbraw/zinc/60/78/61/1178607861.db2.gz ZDOJJSVGSGBPOV-WLYUNCDWSA-N 1 3 322.453 0.115 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001700399699 1178607874 /nfs/dbraw/zinc/60/78/74/1178607874.db2.gz ZDOJJSVGSGBPOV-NFOMZHRRSA-N 1 3 322.453 0.115 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001713168815 1180705946 /nfs/dbraw/zinc/70/59/46/1180705946.db2.gz WSTRCLDSTZCKFB-AJNGGQMLSA-N 1 3 322.453 0.256 20 30 DCEDHO COCC#CCNCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001713649784 1180993347 /nfs/dbraw/zinc/99/33/47/1180993347.db2.gz QSRPXADRHBCLCT-UHFFFAOYSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCCN1CC ZINC001714125511 1181255366 /nfs/dbraw/zinc/25/53/66/1181255366.db2.gz XAEKGPSOXKEZBC-LSDHHAIUSA-N 1 3 322.453 0.095 20 30 DCEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001714634336 1181453586 /nfs/dbraw/zinc/45/35/86/1181453586.db2.gz LYSAVRDRELSWHQ-IRXDYDNUSA-N 1 3 321.465 0.949 20 30 DCEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001714634336 1181453588 /nfs/dbraw/zinc/45/35/88/1181453588.db2.gz LYSAVRDRELSWHQ-IRXDYDNUSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCN1CC[C@H](NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001715991925 1182135589 /nfs/dbraw/zinc/13/55/89/1182135589.db2.gz AFQIMISFNFTLGC-ZFWWWQNUSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCC[C@H](C)O)CC1 ZINC001716424713 1182385331 /nfs/dbraw/zinc/38/53/31/1182385331.db2.gz QZFIAISXINCVBU-CABCVRRESA-N 1 3 309.454 0.587 20 30 DCEDHO C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CCN(CCO)CC1 ZINC001716806475 1182531481 /nfs/dbraw/zinc/53/14/81/1182531481.db2.gz BDGRQCXQGZXTHY-MRXNPFEDSA-N 1 3 321.465 0.779 20 30 DCEDHO C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CCN(CCO)CC1 ZINC001716806475 1182531488 /nfs/dbraw/zinc/53/14/88/1182531488.db2.gz BDGRQCXQGZXTHY-MRXNPFEDSA-N 1 3 321.465 0.779 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C(C)C)C2)CC1 ZINC001716930372 1182586076 /nfs/dbraw/zinc/58/60/76/1182586076.db2.gz RWDHVPRLURJKST-KRWDZBQOSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@H+](C(C)C)C2)CC1 ZINC001716930372 1182586079 /nfs/dbraw/zinc/58/60/79/1182586079.db2.gz RWDHVPRLURJKST-KRWDZBQOSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCOCC)CC1 ZINC001722915160 1184232341 /nfs/dbraw/zinc/23/23/41/1184232341.db2.gz FOGXRGXCQPVDDX-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCOCC)CC1 ZINC001722915160 1184232346 /nfs/dbraw/zinc/23/23/46/1184232346.db2.gz FOGXRGXCQPVDDX-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939962 1185594750 /nfs/dbraw/zinc/59/47/50/1185594750.db2.gz PQFWHAZAKHBBHV-UHFFFAOYSA-N 1 3 310.442 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(CO)CC[NH+](CCC)CC2)CC1 ZINC001733916749 1186496415 /nfs/dbraw/zinc/49/64/15/1186496415.db2.gz RAUQOUAZUOMYET-UHFFFAOYSA-N 1 3 321.465 0.685 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001753556064 1188617821 /nfs/dbraw/zinc/61/78/21/1188617821.db2.gz ILPFOIBWVUBSAF-HNNXBMFYSA-N 1 3 318.421 0.820 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001753601512 1188622620 /nfs/dbraw/zinc/62/26/20/1188622620.db2.gz PQGWHJWODVSYSU-KFWWJZLASA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCC[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001755150649 1189037049 /nfs/dbraw/zinc/03/70/49/1189037049.db2.gz DYRPSKUURUCJEE-UHFFFAOYSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755252552 1189064789 /nfs/dbraw/zinc/06/47/89/1189064789.db2.gz JHEBJNLTEADTQC-CHWSQXEVSA-N 1 3 310.442 0.113 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001755839911 1189232240 /nfs/dbraw/zinc/23/22/40/1189232240.db2.gz NVZARJIYVOEFQH-CQSZACIVSA-N 1 3 324.469 0.197 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001755865596 1189239634 /nfs/dbraw/zinc/23/96/34/1189239634.db2.gz JWUKQQMOONBMGQ-WLYUNCDWSA-N 1 3 324.469 0.596 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)[C@@H]2C)CC1 ZINC001089059140 750781794 /nfs/dbraw/zinc/78/17/94/750781794.db2.gz ATEAYHUMPCMTTM-FMKPAKJESA-N 1 3 307.438 0.291 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)[C@@H]2C)CC1 ZINC001089059140 750781799 /nfs/dbraw/zinc/78/17/99/750781799.db2.gz ATEAYHUMPCMTTM-FMKPAKJESA-N 1 3 307.438 0.291 20 30 DCEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058712 753453426 /nfs/dbraw/zinc/45/34/26/753453426.db2.gz RLUYTDYDVUIHAN-QGZVFWFLSA-N 1 3 318.465 0.180 20 30 DCEDHO C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046063685 753457755 /nfs/dbraw/zinc/45/77/55/753457755.db2.gz UUHZBEVDCKEIIE-IRXDYDNUSA-N 1 3 320.481 0.568 20 30 DCEDHO C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046063685 753457759 /nfs/dbraw/zinc/45/77/59/753457759.db2.gz UUHZBEVDCKEIIE-IRXDYDNUSA-N 1 3 320.481 0.568 20 30 DCEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228241 754578922 /nfs/dbraw/zinc/57/89/22/754578922.db2.gz JVQUUESZOJVXIT-CABCVRRESA-N 1 3 320.441 0.538 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2C)CC1 ZINC001080998190 756417905 /nfs/dbraw/zinc/41/79/05/756417905.db2.gz VYLHJJMIYBWAEE-BFYDXBDKSA-N 1 3 321.465 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2C)CC1 ZINC001080998190 756417907 /nfs/dbraw/zinc/41/79/07/756417907.db2.gz VYLHJJMIYBWAEE-BFYDXBDKSA-N 1 3 321.465 0.803 20 30 DCEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](OC)C1 ZINC001081899937 756849951 /nfs/dbraw/zinc/84/99/51/756849951.db2.gz QVPLLVNDGYYCIZ-HZPDHXFCSA-N 1 3 312.373 0.787 20 30 DCEDHO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@H](OC)C1 ZINC001081899937 756849956 /nfs/dbraw/zinc/84/99/56/756849956.db2.gz QVPLLVNDGYYCIZ-HZPDHXFCSA-N 1 3 312.373 0.787 20 30 DCEDHO C#CCCN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081899937 756849959 /nfs/dbraw/zinc/84/99/59/756849959.db2.gz QVPLLVNDGYYCIZ-HZPDHXFCSA-N 1 3 312.373 0.787 20 30 DCEDHO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085279683 758796889 /nfs/dbraw/zinc/79/68/89/758796889.db2.gz XNRRSDQTDPWTLJ-DSZOFWSKSA-N 1 3 317.433 0.500 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC001086882143 768082095 /nfs/dbraw/zinc/08/20/95/768082095.db2.gz CAACYUHDGKORLN-GOEBONIOSA-N 1 3 307.438 0.198 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422839 762935258 /nfs/dbraw/zinc/93/52/58/762935258.db2.gz MHWGCEQYCYLMSH-CABCVRRESA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129422839 762935261 /nfs/dbraw/zinc/93/52/61/762935261.db2.gz MHWGCEQYCYLMSH-CABCVRRESA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422840 762936014 /nfs/dbraw/zinc/93/60/14/762936014.db2.gz MHWGCEQYCYLMSH-GJZGRUSLSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129422840 762936018 /nfs/dbraw/zinc/93/60/18/762936018.db2.gz MHWGCEQYCYLMSH-GJZGRUSLSA-N 1 3 322.453 0.093 20 30 DCEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099871434 763089219 /nfs/dbraw/zinc/08/92/19/763089219.db2.gz DBHNFRUWGIOFNY-HUUCEWRRSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099871434 763089227 /nfs/dbraw/zinc/08/92/27/763089227.db2.gz DBHNFRUWGIOFNY-HUUCEWRRSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099874183 763092417 /nfs/dbraw/zinc/09/24/17/763092417.db2.gz HFAGOQRYVDDPMW-LSDHHAIUSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099874183 763092423 /nfs/dbraw/zinc/09/24/23/763092423.db2.gz HFAGOQRYVDDPMW-LSDHHAIUSA-N 1 3 309.454 0.988 20 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/nfs/dbraw/zinc/50/39/13/768503913.db2.gz CYRPWKUMSDKXLG-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855134 768885039 /nfs/dbraw/zinc/88/50/39/768885039.db2.gz VRPHSMMSEQOQDU-INIZCTEOSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855134 768885055 /nfs/dbraw/zinc/88/50/55/768885055.db2.gz VRPHSMMSEQOQDU-INIZCTEOSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN(C)CCC)C1=O ZINC001171763002 769370760 /nfs/dbraw/zinc/37/07/60/769370760.db2.gz PSMRFTFYCGYSQT-CQSZACIVSA-N 1 3 310.442 0.211 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179304390 770983685 /nfs/dbraw/zinc/98/36/85/770983685.db2.gz ZNCUOZHIECHSNU-CBBWQLFWSA-N 1 3 322.453 0.350 20 30 DCEDHO C=CCCC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871960 772427292 /nfs/dbraw/zinc/42/72/92/772427292.db2.gz BVBICTRZBLHFTE-CKDBGZEDSA-N 1 3 307.438 0.912 20 30 DCEDHO COCC#CC[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165491834 772742928 /nfs/dbraw/zinc/74/29/28/772742928.db2.gz BWWFLPROCJAZKN-UHFFFAOYSA-N 1 3 321.465 0.997 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206404251 773074127 /nfs/dbraw/zinc/07/41/27/773074127.db2.gz XGPJUGLJWCFGAV-UHFFFAOYSA-N 1 3 319.409 0.083 20 30 DCEDHO COCC#CC[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928670 773137393 /nfs/dbraw/zinc/13/73/93/773137393.db2.gz DWTDBMVCIZWOBU-UHFFFAOYSA-N 1 3 307.438 0.560 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334918 773435613 /nfs/dbraw/zinc/43/56/13/773435613.db2.gz OFJFDYAYYVKMOB-GDBMZVCRSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284568 773790182 /nfs/dbraw/zinc/79/01/82/773790182.db2.gz MZOOMSXPVZIZGP-LSDHHAIUSA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820004 773813083 /nfs/dbraw/zinc/81/30/83/773813083.db2.gz SLVNZOUIEWCHNA-HZPDHXFCSA-N 1 3 321.465 0.990 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199827347 774218578 /nfs/dbraw/zinc/21/85/78/774218578.db2.gz VFWBQTMMEXUJAN-UKRRQHHQSA-N 1 3 322.453 0.352 20 30 DCEDHO CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1C#N ZINC001218916057 774326588 /nfs/dbraw/zinc/32/65/88/774326588.db2.gz YZALLCLWCWQCFF-CYBMUJFWSA-N 1 3 313.361 0.264 20 30 DCEDHO COc1cc(C#N)c(F)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219109818 774374786 /nfs/dbraw/zinc/37/47/86/774374786.db2.gz CIIHNJNJCRTKAY-CQSZACIVSA-N 1 3 306.341 0.971 20 30 DCEDHO CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200658449 774392343 /nfs/dbraw/zinc/39/23/43/774392343.db2.gz NEXVCNKMQLEQIA-CVEARBPZSA-N 1 3 305.422 0.454 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856670 774630186 /nfs/dbraw/zinc/63/01/86/774630186.db2.gz WUCXIZVERQQSJU-APIJFGDWSA-N 1 3 300.362 0.051 20 30 DCEDHO CC(C)(NC(=O)[C@@H](N)CSCC[NH3+])c1ccc(C#N)cc1 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CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC#CCOC)C1 ZINC001274887921 951868281 /nfs/dbraw/zinc/86/82/81/951868281.db2.gz FARNXHXUONKHSO-HZPDHXFCSA-N 1 3 309.454 0.853 20 30 DCEDHO COCC#CCN[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001283721521 954558071 /nfs/dbraw/zinc/55/80/71/954558071.db2.gz IONSPIDGHIYEJO-INIZCTEOSA-N 1 3 309.454 0.949 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001284336840 955018719 /nfs/dbraw/zinc/01/87/19/955018719.db2.gz WBKSYKWMIMTSHG-ZIAGYGMSSA-N 1 3 324.469 0.455 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480109732 955486539 /nfs/dbraw/zinc/48/65/39/955486539.db2.gz NLCGILVAVZIKGB-HOTGVXAUSA-N 1 3 307.438 0.700 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001480109732 955486545 /nfs/dbraw/zinc/48/65/45/955486545.db2.gz NLCGILVAVZIKGB-HOTGVXAUSA-N 1 3 307.438 0.700 20 30 DCEDHO CC#CC[C@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001312994456 960290948 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DCEDHO COCC#CCN1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001493224505 1019221894 /nfs/dbraw/zinc/22/18/94/1019221894.db2.gz YQDYOHNBTXKDPP-INIZCTEOSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481769 1019346257 /nfs/dbraw/zinc/34/62/57/1019346257.db2.gz OXVVEZAQXGCWPI-HUUCEWRRSA-N 1 3 324.469 0.457 20 30 DCEDHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])Nc1ccccn1 ZINC000264291166 238194421 /nfs/dbraw/zinc/19/44/21/238194421.db2.gz PWRYKKBDILTWBE-ZDUSSCGKSA-N 1 3 318.425 0.751 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000491726037 533148141 /nfs/dbraw/zinc/14/81/41/533148141.db2.gz IMYGRHLKEFAOPT-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000491726037 533148144 /nfs/dbraw/zinc/14/81/44/533148144.db2.gz IMYGRHLKEFAOPT-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000073133493 396143346 /nfs/dbraw/zinc/14/33/46/396143346.db2.gz BZMFIENALDXXMZ-UHFFFAOYSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000343744014 415704991 /nfs/dbraw/zinc/70/49/91/415704991.db2.gz XEMMXJMKMVDJJS-HNNXBMFYSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCN1CC[C@@H](N(C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000337190542 415924426 /nfs/dbraw/zinc/92/44/26/415924426.db2.gz SPENTSMZSOPQJJ-MRXNPFEDSA-N 1 3 308.470 0.731 20 30 DCEDHO C[NH+]=C(NCCn1cc(C)cn1)NC1CCN(C2CC2)CC1 ZINC000131445854 415930340 /nfs/dbraw/zinc/93/03/40/415930340.db2.gz ADEUJPCDUJENIN-UHFFFAOYSA-N 1 3 304.442 0.983 20 30 DCEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CNCCO1)C(C)C ZINC000417062935 416382011 /nfs/dbraw/zinc/38/20/11/416382011.db2.gz MYJWUBRLUXXDMY-CVEARBPZSA-N 1 3 324.469 0.973 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419735676 416407591 /nfs/dbraw/zinc/40/75/91/416407591.db2.gz WEBNQEPCURBCFM-UHFFFAOYSA-N 1 3 310.442 0.387 20 30 DCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000491647020 416609708 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C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)C1=O ZINC001483495260 942385839 /nfs/dbraw/zinc/38/58/39/942385839.db2.gz UXJSEFFGNLAQBC-AWEZNQCLSA-N 1 3 319.409 0.177 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127066288 942424105 /nfs/dbraw/zinc/42/41/05/942424105.db2.gz LENQKCYVRAHGMF-LSDHHAIUSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127066288 942424107 /nfs/dbraw/zinc/42/41/07/942424107.db2.gz LENQKCYVRAHGMF-LSDHHAIUSA-N 1 3 322.453 0.352 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001484489683 943422008 /nfs/dbraw/zinc/42/20/08/943422008.db2.gz ZKYPLLSBYLIAOS-UHFFFAOYSA-N 1 3 323.481 0.932 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484857524 943603396 /nfs/dbraw/zinc/60/33/96/943603396.db2.gz YNLHASQYWGTIMV-QGZVFWFLSA-N 1 3 305.422 0.049 20 30 DCEDHO C#CCCCN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001276978695 944615151 /nfs/dbraw/zinc/61/51/51/944615151.db2.gz PUFAQXSWVAKIHK-LSDHHAIUSA-N 1 3 318.421 0.297 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317119040 944806836 /nfs/dbraw/zinc/80/68/36/944806836.db2.gz GQQJKMFCFOOPRP-APIJFGDWSA-N 1 3 324.469 0.500 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001317119041 944806856 /nfs/dbraw/zinc/80/68/56/944806856.db2.gz GQQJKMFCFOOPRP-BYNSBNAKSA-N 1 3 324.469 0.500 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=C)C)CC1 ZINC001486359249 944821534 /nfs/dbraw/zinc/82/15/34/944821534.db2.gz SODZHIDZSUBUDT-QGZVFWFLSA-N 1 3 321.465 0.659 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(=C)C)CC1 ZINC001486359249 944821541 /nfs/dbraw/zinc/82/15/41/944821541.db2.gz SODZHIDZSUBUDT-QGZVFWFLSA-N 1 3 321.465 0.659 20 30 DCEDHO C=CCCCN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277779699 944974981 /nfs/dbraw/zinc/97/49/81/944974981.db2.gz ORKLSLDFOZEHKI-LSDHHAIUSA-N 1 3 320.437 0.850 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001320090633 945738917 /nfs/dbraw/zinc/73/89/17/945738917.db2.gz NPBMHYSPFRUFGY-INIZCTEOSA-N 1 3 323.481 0.883 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)CCC[C@H](C)O)CC1 ZINC001320090633 945738921 /nfs/dbraw/zinc/73/89/21/945738921.db2.gz NPBMHYSPFRUFGY-INIZCTEOSA-N 1 3 323.481 0.883 20 30 DCEDHO C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001323747074 947188920 /nfs/dbraw/zinc/18/89/20/947188920.db2.gz WZKDXPBHOJDIKX-MRXNPFEDSA-N 1 3 309.454 0.899 20 30 DCEDHO C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001323747074 947188929 /nfs/dbraw/zinc/18/89/29/947188929.db2.gz WZKDXPBHOJDIKX-MRXNPFEDSA-N 1 3 309.454 0.899 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001324263380 947369168 /nfs/dbraw/zinc/36/91/68/947369168.db2.gz LEQOJGIWRUSLMW-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)CCC ZINC001324263378 947370314 /nfs/dbraw/zinc/37/03/14/947370314.db2.gz LEQOJGIWRUSLMW-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CCNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001326912840 948327508 /nfs/dbraw/zinc/32/75/08/948327508.db2.gz ABRVANNLORJGKO-OAHLLOKOSA-N 1 3 307.438 0.607 20 30 DCEDHO COCC#CCNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001326912840 948327517 /nfs/dbraw/zinc/32/75/17/948327517.db2.gz ABRVANNLORJGKO-OAHLLOKOSA-N 1 3 307.438 0.607 20 30 DCEDHO C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001328155721 948725067 /nfs/dbraw/zinc/72/50/67/948725067.db2.gz LQQGFRVISSBNPU-OAHLLOKOSA-N 1 3 309.454 0.990 20 30 DCEDHO C=C(C)C[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001328173089 948731371 /nfs/dbraw/zinc/73/13/71/948731371.db2.gz YWPCLBJVOHUDBR-UHFFFAOYSA-N 1 3 309.454 0.990 20 30 DCEDHO N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC001328400871 948880086 /nfs/dbraw/zinc/88/00/86/948880086.db2.gz MTRVTOBCZZPFKQ-MRXNPFEDSA-N 1 3 316.405 0.933 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001264437827 948977628 /nfs/dbraw/zinc/97/76/28/948977628.db2.gz JSJNQBWJHXRFEQ-JYJNAYRXSA-N 1 3 309.454 0.707 20 30 DCEDHO C#CCNC(=O)[C@H](C)[N@H+](CC)CCCNC(=O)[C@H]1CCCN1C ZINC001265104489 949307522 /nfs/dbraw/zinc/30/75/22/949307522.db2.gz UOSNDIYLABHOOZ-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCCNC(=O)[C@H]1CCCN1C ZINC001265104489 949307546 /nfs/dbraw/zinc/30/75/46/949307546.db2.gz UOSNDIYLABHOOZ-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001331286795 951057753 /nfs/dbraw/zinc/05/77/53/951057753.db2.gz ADBNXRARNUYRRF-INIZCTEOSA-N 1 3 321.465 0.947 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274255138 951516429 /nfs/dbraw/zinc/51/64/29/951516429.db2.gz YPNSVULQMPBZSR-PLNGDYQASA-N 1 3 307.438 0.773 20 30 DCEDHO CC#CC[NH2+]CC1(O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001281637834 951571410 /nfs/dbraw/zinc/57/14/10/951571410.db2.gz YUOHDOWQLFFQHB-HNNXBMFYSA-N 1 3 307.438 0.295 20 30 DCEDHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001332437876 951647851 /nfs/dbraw/zinc/64/78/51/951647851.db2.gz OAPKISXGUYQPOV-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC#CCOC)C(C)(C)C1 ZINC001332437876 951647856 /nfs/dbraw/zinc/64/78/56/951647856.db2.gz OAPKISXGUYQPOV-HNNXBMFYSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCNC(=O)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335899805 952617125 /nfs/dbraw/zinc/61/71/25/952617125.db2.gz ZOPVGVHCHZGTCA-SFHVURJKSA-N 1 3 315.417 0.353 20 30 DCEDHO C#CCNC(=O)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335899805 952617131 /nfs/dbraw/zinc/61/71/31/952617131.db2.gz ZOPVGVHCHZGTCA-SFHVURJKSA-N 1 3 315.417 0.353 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001283693653 954538160 /nfs/dbraw/zinc/53/81/60/954538160.db2.gz ZKDPKOHFFXFNCH-OAHLLOKOSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCO)C2)CC1 ZINC001284243564 954958021 /nfs/dbraw/zinc/95/80/21/954958021.db2.gz HMNWOBAEVVIHQK-GOEBONIOSA-N 1 3 307.438 0.198 20 30 DCEDHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383182 964863655 /nfs/dbraw/zinc/86/36/55/964863655.db2.gz MOJNEXHNYHNZLU-HZPDHXFCSA-N 1 3 316.405 0.077 20 30 DCEDHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383182 964863669 /nfs/dbraw/zinc/86/36/69/964863669.db2.gz MOJNEXHNYHNZLU-HZPDHXFCSA-N 1 3 316.405 0.077 20 30 DCEDHO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001502567594 1015974287 /nfs/dbraw/zinc/97/42/87/1015974287.db2.gz HPHPZCKJPGTANH-RDJZCZTQSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001507163828 1016045789 /nfs/dbraw/zinc/04/57/89/1016045789.db2.gz WUBGCQPCJIDFFY-OAHLLOKOSA-N 1 3 322.453 0.048 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1OCC ZINC001479541945 1017580655 /nfs/dbraw/zinc/58/06/55/1017580655.db2.gz JYWWMMRTZCGHAD-UKRRQHHQSA-N 1 3 304.394 0.429 20 30 DCEDHO C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001499539021 1017964681 /nfs/dbraw/zinc/96/46/81/1017964681.db2.gz WZKDXPBHOJDIKX-INIZCTEOSA-N 1 3 309.454 0.899 20 30 DCEDHO C#CC[N@H+](CCOC)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001499539021 1017964688 /nfs/dbraw/zinc/96/46/88/1017964688.db2.gz WZKDXPBHOJDIKX-INIZCTEOSA-N 1 3 309.454 0.899 20 30 DCEDHO CCCN(CC#CCOC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001663683684 1174342440 /nfs/dbraw/zinc/34/24/40/1174342440.db2.gz BFGVKQKRFLWSRS-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO CCCN(CC#CCOC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663683684 1174342447 /nfs/dbraw/zinc/34/24/47/1174342447.db2.gz BFGVKQKRFLWSRS-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO C=C[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000620591756 397288571 /nfs/dbraw/zinc/28/85/71/397288571.db2.gz MVWJKSXQJHHLCM-OAHLLOKOSA-N 1 3 309.454 0.846 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355310315 415859841 /nfs/dbraw/zinc/85/98/41/415859841.db2.gz DGLRRJCWIQOZBK-CYBMUJFWSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000347063313 416211273 /nfs/dbraw/zinc/21/12/73/416211273.db2.gz DMGQTFBLUHDTKR-HNNXBMFYSA-N 1 3 310.442 0.657 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])CCCC)CC1 ZINC000419731913 416407175 /nfs/dbraw/zinc/40/71/75/416407175.db2.gz RUJDXWGJDBRNJX-AWEZNQCLSA-N 1 3 310.442 0.387 20 30 DCEDHO C#CCN(C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000491674672 416613561 /nfs/dbraw/zinc/61/35/61/416613561.db2.gz XOKTUFGZDLFVGZ-DLBZAZTESA-N 1 3 314.433 0.996 20 30 DCEDHO C=CCN1CC[C@H](N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652349561 417889287 /nfs/dbraw/zinc/88/92/87/417889287.db2.gz SNMPVNRBVGYLMF-XUWVNRHRSA-N 1 3 307.438 0.992 20 30 DCEDHO C[C@@H]1C[N@H+](CCCNC[C@H](O)CN(C)CCC#N)CCCO1 ZINC000583079770 337236747 /nfs/dbraw/zinc/23/67/47/337236747.db2.gz KYFRUQHMTGBKAE-CVEARBPZSA-N 1 3 312.458 0.283 20 30 DCEDHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)CN(C)CCC#N)CCCO1 ZINC000583079770 337236748 /nfs/dbraw/zinc/23/67/48/337236748.db2.gz KYFRUQHMTGBKAE-CVEARBPZSA-N 1 3 312.458 0.283 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)C[C@@H](C)O)CC1 ZINC001567432244 1160364018 /nfs/dbraw/zinc/36/40/18/1160364018.db2.gz AJHNWLSFCYRIDG-OAHLLOKOSA-N 1 3 309.454 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)C[C@@H](C)O)CC1 ZINC001567432244 1160364019 /nfs/dbraw/zinc/36/40/19/1160364019.db2.gz AJHNWLSFCYRIDG-OAHLLOKOSA-N 1 3 309.454 0.541 20 30 DCEDHO COc1ccccc1CNC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000170907048 534075212 /nfs/dbraw/zinc/07/52/12/534075212.db2.gz XKYZPLBIAKREPS-UHFFFAOYSA-N 1 3 319.453 0.737 20 30 DCEDHO C[NH+]=C(NCCN1CCCN(C)CC1)NC[C@H]1CCCS1 ZINC000261963390 526356420 /nfs/dbraw/zinc/35/64/20/526356420.db2.gz KUORGQAXRGXLMV-CQSZACIVSA-N 1 3 313.515 0.685 20 30 DCEDHO CCCNC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000264079953 528162295 /nfs/dbraw/zinc/16/22/95/528162295.db2.gz HAIKAKLFCMPQJR-UHFFFAOYSA-N 1 3 305.426 0.792 20 30 DCEDHO CCN(CC)[C@@H]1CCN(C(NC[C@]2(O)CCSC2)=[NH+]C)C1 ZINC000262447162 528247784 /nfs/dbraw/zinc/24/77/84/528247784.db2.gz VLDWUQJVCRIUBQ-UKRRQHHQSA-N 1 3 314.499 0.846 20 30 DCEDHO CCNC(=[NH2+])NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000267416793 528942524 /nfs/dbraw/zinc/94/25/24/528942524.db2.gz JKGAIEKPWVRXEY-HNNXBMFYSA-N 1 3 317.437 0.808 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264311778 529100676 /nfs/dbraw/zinc/10/06/76/529100676.db2.gz VCAOCLMXZQJIEL-HNNXBMFYSA-N 1 3 317.437 0.717 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000343002319 546128581 /nfs/dbraw/zinc/12/85/81/546128581.db2.gz BJFDFYQBIZNJRK-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000669464938 546974784 /nfs/dbraw/zinc/97/47/84/546974784.db2.gz LWGSNLKMVXEJPJ-UKRRQHHQSA-N 1 3 310.442 0.785 20 30 DCEDHO C#CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669368668 1174922278 /nfs/dbraw/zinc/92/22/78/1174922278.db2.gz GDCOTGRLVGKMHR-KGLIPLIRSA-N 1 3 322.453 0.093 20 30 DCEDHO COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001673434147 1175202370 /nfs/dbraw/zinc/20/23/70/1175202370.db2.gz GNWLJMHJUJDPKI-HZPDHXFCSA-N 1 3 309.454 0.757 20 30 DCEDHO COCC#CCN(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001673434147 1175202373 /nfs/dbraw/zinc/20/23/73/1175202373.db2.gz GNWLJMHJUJDPKI-HZPDHXFCSA-N 1 3 309.454 0.757 20 30 DCEDHO C#CCN(C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027611032 660525244 /nfs/dbraw/zinc/52/52/44/660525244.db2.gz PCLLOVIYBSJKLF-MRXNPFEDSA-N 1 3 317.437 0.614 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCO)C2)CC1 ZINC001027693550 660626135 /nfs/dbraw/zinc/62/61/35/660626135.db2.gz FICVJRZWTOVMNE-INIZCTEOSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCO)C2)CC1 ZINC001027693550 660626136 /nfs/dbraw/zinc/62/61/36/660626136.db2.gz FICVJRZWTOVMNE-INIZCTEOSA-N 1 3 307.438 0.247 20 30 DCEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784718 661216271 /nfs/dbraw/zinc/21/62/71/661216271.db2.gz PTAOWHVWRYWTHW-CVEARBPZSA-N 1 3 319.449 0.960 20 30 DCEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784718 661216273 /nfs/dbraw/zinc/21/62/73/661216273.db2.gz PTAOWHVWRYWTHW-CVEARBPZSA-N 1 3 319.449 0.960 20 30 DCEDHO C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](N2CCCCC2)C1 ZINC000261977418 657863840 /nfs/dbraw/zinc/86/38/40/657863840.db2.gz NZYDRPUAMLWPRK-AWEZNQCLSA-N 1 3 319.457 0.759 20 30 DCEDHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500422 657935247 /nfs/dbraw/zinc/93/52/47/657935247.db2.gz UFGVSOAWMZSXCI-CTMQZQKCSA-N 1 3 319.449 0.864 20 30 DCEDHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500422 657935254 /nfs/dbraw/zinc/93/52/54/657935254.db2.gz UFGVSOAWMZSXCI-CTMQZQKCSA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CCCO)C2)CC1 ZINC000970919722 658081322 /nfs/dbraw/zinc/08/13/22/658081322.db2.gz FSVQQBMJWQPBOC-CQSZACIVSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999145695 665585331 /nfs/dbraw/zinc/58/53/31/665585331.db2.gz PJYTWJDBFYWJGJ-RDVIWEACSA-N 1 3 303.406 0.062 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]C[C@@H](C)O)CC2)CC1 ZINC001026609256 659413539 /nfs/dbraw/zinc/41/35/39/659413539.db2.gz DAYXFBXKYUBNCX-ODIFPOPNSA-N 1 3 321.465 0.729 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774874 659613308 /nfs/dbraw/zinc/61/33/08/659613308.db2.gz LTFOEGIEURRRLP-LSDHHAIUSA-N 1 3 320.437 0.060 20 30 DCEDHO CC#CCN1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547528 661603431 /nfs/dbraw/zinc/60/34/31/661603431.db2.gz XLGLPIRPCHIUBJ-HNNXBMFYSA-N 1 3 317.437 0.520 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698229 661764732 /nfs/dbraw/zinc/76/47/32/661764732.db2.gz DLHAUUHKUYBMRE-VUGNNNGISA-N 1 3 319.449 0.864 20 30 DCEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698229 661764733 /nfs/dbraw/zinc/76/47/33/661764733.db2.gz DLHAUUHKUYBMRE-VUGNNNGISA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001029004043 661930661 /nfs/dbraw/zinc/93/06/61/661930661.db2.gz SKTCHCFSCSLBTP-CABCVRRESA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001029004043 661930663 /nfs/dbraw/zinc/93/06/63/661930663.db2.gz SKTCHCFSCSLBTP-CABCVRRESA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000732308040 664913086 /nfs/dbraw/zinc/91/30/86/664913086.db2.gz RVWVBEMUQRKYBK-KRWDZBQOSA-N 1 3 320.481 0.568 20 30 DCEDHO C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000732308040 664913087 /nfs/dbraw/zinc/91/30/87/664913087.db2.gz RVWVBEMUQRKYBK-KRWDZBQOSA-N 1 3 320.481 0.568 20 30 DCEDHO C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000732308040 664913088 /nfs/dbraw/zinc/91/30/88/664913088.db2.gz RVWVBEMUQRKYBK-KRWDZBQOSA-N 1 3 320.481 0.568 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@@H]2C)CC1 ZINC000994495741 665116514 /nfs/dbraw/zinc/11/65/14/665116514.db2.gz GRYVWCOGUYXZAS-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC000994495741 665116515 /nfs/dbraw/zinc/11/65/15/665116515.db2.gz GRYVWCOGUYXZAS-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516351 666290582 /nfs/dbraw/zinc/29/05/82/666290582.db2.gz MAURMJGUZVDAAV-GDBMZVCRSA-N 1 3 317.437 0.518 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@@H](CC)OC)C2)CC1 ZINC001032207295 666444658 /nfs/dbraw/zinc/44/46/58/666444658.db2.gz LLXGHBSFTHKNHF-QGZVFWFLSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996069665 666737185 /nfs/dbraw/zinc/73/71/85/666737185.db2.gz KLHMMWUNYRVABR-DGSCNEQVSA-N 1 3 317.433 0.309 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001033687498 666795722 /nfs/dbraw/zinc/79/57/22/666795722.db2.gz HTEWAYAKQOOAHN-GOEBONIOSA-N 1 3 307.438 0.245 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001033687498 666795724 /nfs/dbraw/zinc/79/57/24/666795724.db2.gz HTEWAYAKQOOAHN-GOEBONIOSA-N 1 3 307.438 0.245 20 30 DCEDHO N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)C2 ZINC000884248045 667508943 /nfs/dbraw/zinc/50/89/43/667508943.db2.gz KFQSNMXYLUBEAC-LBLUPFGHSA-N 1 3 302.422 0.712 20 30 DCEDHO C#CCN(C(=O)c1ccnn1CCN(C)C)C1CC[NH+](C)CC1 ZINC000886574749 667778027 /nfs/dbraw/zinc/77/80/27/667778027.db2.gz ROFZCORPONWYFA-UHFFFAOYSA-N 1 3 317.437 0.614 20 30 DCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000876866503 668523647 /nfs/dbraw/zinc/52/36/47/668523647.db2.gz HCXPFIOZJMQNJT-UPJWGTAASA-N 1 3 301.818 0.811 20 30 DCEDHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CCCC#N ZINC000877133057 668565230 /nfs/dbraw/zinc/56/52/30/668565230.db2.gz VFYIDKWTKLUARI-HNNXBMFYSA-N 1 3 310.442 0.824 20 30 DCEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000820196685 671177765 /nfs/dbraw/zinc/17/77/65/671177765.db2.gz HHIQLIKNUIDJIT-CVEARBPZSA-N 1 3 305.422 0.454 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303792808 685207333 /nfs/dbraw/zinc/20/73/33/685207333.db2.gz YTHSZUXINXQUGT-CYBMUJFWSA-N 1 3 315.425 0.660 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001009627389 691077470 /nfs/dbraw/zinc/07/74/70/691077470.db2.gz LNMMJVSKOFKDIX-MRXNPFEDSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001009627389 691077472 /nfs/dbraw/zinc/07/74/72/691077472.db2.gz LNMMJVSKOFKDIX-MRXNPFEDSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016627075 692734837 /nfs/dbraw/zinc/73/48/37/692734837.db2.gz IYUQZXCUKPOTBF-CVEARBPZSA-N 1 3 301.434 0.932 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691370552 1157655481 /nfs/dbraw/zinc/65/54/81/1157655481.db2.gz WBBPSLPHLKHHIF-CABCVRRESA-N 1 3 324.469 0.457 20 30 DCEDHO CC[C@@H](C(=O)NC1(C[NH2+]CC#CCOC)CCCC1)N(C)C ZINC001568008899 1160560839 /nfs/dbraw/zinc/56/08/39/1160560839.db2.gz XZVQMNWIDNTQCF-HNNXBMFYSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CCNC/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568969972 1160904142 /nfs/dbraw/zinc/90/41/42/1160904142.db2.gz RTGBYAFJLROGNT-KSLSASGISA-N 1 3 307.438 0.771 20 30 DCEDHO CC(C)(C#N)C[C@@H](O)CNCC(=O)NCC[NH+]1CCCCCC1 ZINC001646522416 1172413129 /nfs/dbraw/zinc/41/31/29/1172413129.db2.gz OWSYJPFWUCNASF-OAHLLOKOSA-N 1 3 324.469 0.869 20 30 DCEDHO C=CCN1CC[C@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620901 1174334843 /nfs/dbraw/zinc/33/48/43/1174334843.db2.gz RRKXWULCTCLQDJ-GJZGRUSLSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663942496 1174374863 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LLFHXIOOZIYJAO-GPANFISMSA-N 1 3 309.454 0.993 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690665011 1177299388 /nfs/dbraw/zinc/29/93/88/1177299388.db2.gz RXQVTDNUQANKMP-JKSUJKDBSA-N 1 3 305.422 0.169 20 30 DCEDHO C=CCOCCN(C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699442012 1178139035 /nfs/dbraw/zinc/13/90/35/1178139035.db2.gz NQWJMEDWCMNBLD-HOCLYGCPSA-N 1 3 309.454 0.967 20 30 DCEDHO C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001699898491 1178349302 /nfs/dbraw/zinc/34/93/02/1178349302.db2.gz OBYOFCJSZIEWRS-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001699898491 1178349310 /nfs/dbraw/zinc/34/93/10/1178349310.db2.gz OBYOFCJSZIEWRS-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCCN1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001700008828 1178428708 /nfs/dbraw/zinc/42/87/08/1178428708.db2.gz YGIXQFYTVGVTJO-QGZVFWFLSA-N 1 3 309.454 0.685 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001707023707 1180400666 /nfs/dbraw/zinc/40/06/66/1180400666.db2.gz UMVQFWNHZGRJMI-RBSFLKMASA-N 1 3 322.453 0.067 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001707023707 1180400667 /nfs/dbraw/zinc/40/06/67/1180400667.db2.gz UMVQFWNHZGRJMI-RBSFLKMASA-N 1 3 322.453 0.067 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001707083223 1180413577 /nfs/dbraw/zinc/41/35/77/1180413577.db2.gz QBYLCQYUNJRJKI-ULQDDVLXSA-N 1 3 321.465 0.993 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001713597849 1180955857 /nfs/dbraw/zinc/95/58/57/1180955857.db2.gz IEIXNTRLTLSNLN-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001713597849 1180955858 /nfs/dbraw/zinc/95/58/58/1180955858.db2.gz IEIXNTRLTLSNLN-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001713597847 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C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268427443 940118588 /nfs/dbraw/zinc/11/85/88/940118588.db2.gz XKERKRNKRVTHIS-CVEARBPZSA-N 1 3 321.465 0.853 20 30 DCEDHO COCC#CC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482531599 941460377 /nfs/dbraw/zinc/46/03/77/941460377.db2.gz AZUOTWFLBVAPJC-MRXNPFEDSA-N 1 3 309.454 0.851 20 30 DCEDHO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001077443936 942458351 /nfs/dbraw/zinc/45/83/51/942458351.db2.gz CXEDJMQJLHJAOW-ZACQAIPSSA-N 1 3 321.465 0.988 20 30 DCEDHO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001077443936 942458353 /nfs/dbraw/zinc/45/83/53/942458353.db2.gz CXEDJMQJLHJAOW-ZACQAIPSSA-N 1 3 321.465 0.988 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001485814173 944161570 /nfs/dbraw/zinc/16/15/70/944161570.db2.gz QCRQDJNSXAZBJA-KRWDZBQOSA-N 1 3 321.465 0.947 20 30 DCEDHO Cn1cc(CN2CCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276463158 944180425 /nfs/dbraw/zinc/18/04/25/944180425.db2.gz CEXNOKALVSFGRP-UHFFFAOYSA-N 1 3 301.438 0.966 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CC2CC(C)C2)CC1 ZINC001486065956 944527746 /nfs/dbraw/zinc/52/77/46/944527746.db2.gz LLECFORDIHVYHR-VMBOVVBDSA-N 1 3 321.465 0.444 20 30 DCEDHO C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CN(C)CCC)CC2 ZINC001276928157 944597786 /nfs/dbraw/zinc/59/77/86/944597786.db2.gz JPELCEPULKYXNG-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001277080042 944654511 /nfs/dbraw/zinc/65/45/11/944654511.db2.gz ONFLKXYCIFWLHH-OAHLLOKOSA-N 1 3 307.438 0.749 20 30 DCEDHO COCC#CCNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001277080042 944654517 /nfs/dbraw/zinc/65/45/17/944654517.db2.gz ONFLKXYCIFWLHH-OAHLLOKOSA-N 1 3 307.438 0.749 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001317416292 944961254 /nfs/dbraw/zinc/96/12/54/944961254.db2.gz TWBQWVHXCDWLPF-CABCVRRESA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001319385235 945573713 /nfs/dbraw/zinc/57/37/13/945573713.db2.gz IVFBENFUVVDLHX-AWEZNQCLSA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319526794 945611266 /nfs/dbraw/zinc/61/12/66/945611266.db2.gz ZBSBVSZAESKOKT-UONOGXRCSA-N 1 3 324.469 0.455 20 30 DCEDHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001278608358 945683428 /nfs/dbraw/zinc/68/34/28/945683428.db2.gz LADMAEUCAHNAFP-JKSUJKDBSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCOC[C@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC001251894329 945810663 /nfs/dbraw/zinc/81/06/63/945810663.db2.gz RQAPXCFFFOKGPW-MRXNPFEDSA-N 1 3 306.406 0.727 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001322544012 946716927 /nfs/dbraw/zinc/71/69/27/946716927.db2.gz RTVQYPSDTUMRBA-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001326436357 948162733 /nfs/dbraw/zinc/16/27/33/948162733.db2.gz CLJOLSQHEJFPAW-MRXNPFEDSA-N 1 3 309.454 0.805 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001326589083 948206804 /nfs/dbraw/zinc/20/68/04/948206804.db2.gz NOMRCFGMNBZNSE-LXTVHRRPSA-N 1 3 308.426 0.895 20 30 DCEDHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC)N(C)C ZINC001326760081 948270844 /nfs/dbraw/zinc/27/08/44/948270844.db2.gz DYILOMIGQOJYSX-CVEARBPZSA-N 1 3 309.454 0.947 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001488804662 949200049 /nfs/dbraw/zinc/20/00/49/949200049.db2.gz MLQPYAHHGYRDMS-LUKYLMHMSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CCN1CC[NH+](CCCNC(=O)CCN2CCOCC2)CC1 ZINC001265251506 949496030 /nfs/dbraw/zinc/49/60/30/949496030.db2.gz IUCOXJDKYMAHSY-UHFFFAOYSA-N 1 3 324.469 0.019 20 30 DCEDHO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001332605123 951718945 /nfs/dbraw/zinc/71/89/45/951718945.db2.gz HCTBHDXPNXOALU-MRXNPFEDSA-N 1 3 303.406 0.404 20 30 DCEDHO COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001333139801 951931451 /nfs/dbraw/zinc/93/14/51/951931451.db2.gz BXRBENHEDIVWGG-GPANFISMSA-N 1 3 309.454 0.801 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001275729802 952411682 /nfs/dbraw/zinc/41/16/82/952411682.db2.gz PHYZFTDJMNIHEJ-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001275729802 952411685 /nfs/dbraw/zinc/41/16/85/952411685.db2.gz PHYZFTDJMNIHEJ-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001336894217 952781497 /nfs/dbraw/zinc/78/14/97/952781497.db2.gz MNJXLHFQKPOAND-NWDGAFQWSA-N 1 3 320.359 0.863 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001282193431 953519092 /nfs/dbraw/zinc/51/90/92/953519092.db2.gz QQPXTMTYAYTRTD-ZIAGYGMSSA-N 1 3 324.469 0.197 20 30 DCEDHO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC001284446200 955102201 /nfs/dbraw/zinc/10/22/01/955102201.db2.gz COCSJXHUOWZXJG-HOTGVXAUSA-N 1 3 309.454 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCOC)C2)CC1 ZINC001507427823 1016321143 /nfs/dbraw/zinc/32/11/43/1016321143.db2.gz LQUOYORDLLNRHO-DOTOQJQBSA-N 1 3 321.465 0.853 20 30 DCEDHO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001500169309 1018269362 /nfs/dbraw/zinc/26/93/62/1018269362.db2.gz ITXKZNAFFUMLHL-INIZCTEOSA-N 1 3 308.470 0.731 20 30 DCEDHO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001500169309 1018269374 /nfs/dbraw/zinc/26/93/74/1018269374.db2.gz ITXKZNAFFUMLHL-INIZCTEOSA-N 1 3 308.470 0.731 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001480476263 1018570565 /nfs/dbraw/zinc/57/05/65/1018570565.db2.gz XGTMORCFDYUNPV-CHWSQXEVSA-N 1 3 310.442 0.256 20 30 DCEDHO COCC#CC[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001498769036 1019411949 /nfs/dbraw/zinc/41/19/49/1019411949.db2.gz GUDOQPLTZRYSTN-HNNXBMFYSA-N 1 3 307.438 0.605 20 30 DCEDHO C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)C1=CCN(C)CC1 ZINC000330084808 416196416 /nfs/dbraw/zinc/19/64/16/416196416.db2.gz REOFMYMUOQJTTR-CQSZACIVSA-N 1 3 324.469 0.939 20 30 DCEDHO C[C@@H](NC(=O)N1CCC([N@@H+](C)CCO)CC1)C1=CCN(C)CC1 ZINC000330084808 416196419 /nfs/dbraw/zinc/19/64/19/416196419.db2.gz REOFMYMUOQJTTR-CQSZACIVSA-N 1 3 324.469 0.939 20 30 DCEDHO COCCN1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000329329301 416163408 /nfs/dbraw/zinc/16/34/08/416163408.db2.gz YINCZVPXXCPYQD-HIFRSBDPSA-N 1 3 310.442 0.861 20 30 DCEDHO COCCN1CC[C@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000329329301 416163410 /nfs/dbraw/zinc/16/34/10/416163410.db2.gz YINCZVPXXCPYQD-HIFRSBDPSA-N 1 3 310.442 0.861 20 30 DCEDHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154720 416617567 /nfs/dbraw/zinc/61/75/67/416617567.db2.gz LTUULTHHNOOUJG-UONOGXRCSA-N 1 3 323.441 0.066 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000491475139 333104184 /nfs/dbraw/zinc/10/41/84/333104184.db2.gz UBGIKXLZBGTXOU-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000491475139 333104185 /nfs/dbraw/zinc/10/41/85/333104185.db2.gz UBGIKXLZBGTXOU-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303778039 340346146 /nfs/dbraw/zinc/34/61/46/340346146.db2.gz JHGBTABSAFOIPS-GFCCVEGCSA-N 1 3 313.446 0.900 20 30 DCEDHO C=CCOCC[N@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567409417 1160356036 /nfs/dbraw/zinc/35/60/36/1160356036.db2.gz HIGOMNWISPUGQB-HZPDHXFCSA-N 1 3 309.454 0.969 20 30 DCEDHO C=CCOCC[N@@H+]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567409417 1160356045 /nfs/dbraw/zinc/35/60/45/1160356045.db2.gz HIGOMNWISPUGQB-HZPDHXFCSA-N 1 3 309.454 0.969 20 30 DCEDHO C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262438529 526359313 /nfs/dbraw/zinc/35/93/13/526359313.db2.gz GXHIKAJLYUYQKD-OAHLLOKOSA-N 1 3 321.469 0.648 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264090623 529100554 /nfs/dbraw/zinc/10/05/54/529100554.db2.gz KVYOIJSOFJUNLJ-HNNXBMFYSA-N 1 3 317.437 0.935 20 30 DCEDHO C=CCCN1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672496725 1175117856 /nfs/dbraw/zinc/11/78/56/1175117856.db2.gz YCMDWLONLBMOTH-QGZVFWFLSA-N 1 3 309.454 0.847 20 30 DCEDHO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001028093523 661153082 /nfs/dbraw/zinc/15/30/82/661153082.db2.gz MRKGKZFVFUGWGC-JKSUJKDBSA-N 1 3 307.438 0.700 20 30 DCEDHO CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001028093523 661153083 /nfs/dbraw/zinc/15/30/83/661153083.db2.gz MRKGKZFVFUGWGC-JKSUJKDBSA-N 1 3 307.438 0.700 20 30 DCEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244451 657490327 /nfs/dbraw/zinc/49/03/27/657490327.db2.gz HTBOAWYYBIHDDU-MRXNPFEDSA-N 1 3 319.449 0.655 20 30 DCEDHO CC#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244451 657490331 /nfs/dbraw/zinc/49/03/31/657490331.db2.gz HTBOAWYYBIHDDU-MRXNPFEDSA-N 1 3 319.449 0.655 20 30 DCEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023499753 657934975 /nfs/dbraw/zinc/93/49/75/657934975.db2.gz GIJKMXXEOWXXBG-UERKLNTKSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023499753 657934982 /nfs/dbraw/zinc/93/49/82/657934982.db2.gz GIJKMXXEOWXXBG-UERKLNTKSA-N 1 3 317.433 0.311 20 30 DCEDHO C#CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(CC#C)CC1 ZINC001028333176 661462204 /nfs/dbraw/zinc/46/22/04/661462204.db2.gz FHGKWGYKYXJVNW-KRWDZBQOSA-N 1 3 301.434 0.936 20 30 DCEDHO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(CC#C)CC1 ZINC001028333176 661462206 /nfs/dbraw/zinc/46/22/06/661462206.db2.gz FHGKWGYKYXJVNW-KRWDZBQOSA-N 1 3 301.434 0.936 20 30 DCEDHO C#CCN(C(=O)N[C@@H]1CCN(CCOC)C1)C1CC[NH+](C)CC1 ZINC000919633685 665224722 /nfs/dbraw/zinc/22/47/22/665224722.db2.gz CHBIHOLIHXHGRP-OAHLLOKOSA-N 1 3 322.453 0.446 20 30 DCEDHO C#CCCN1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043623 666213211 /nfs/dbraw/zinc/21/32/11/666213211.db2.gz KCQCYLJLXYZTCM-UHFFFAOYSA-N 1 3 303.410 0.130 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001033683415 666794638 /nfs/dbraw/zinc/79/46/38/666794638.db2.gz HAXGWEPNWRCALK-INIZCTEOSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001033683415 666794639 /nfs/dbraw/zinc/79/46/39/666794639.db2.gz HAXGWEPNWRCALK-INIZCTEOSA-N 1 3 307.438 0.247 20 30 DCEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CN2CCC1CC2 ZINC000884453089 667547907 /nfs/dbraw/zinc/54/79/07/667547907.db2.gz GDUYMSCUGGVGBT-DGNOSDGRSA-N 1 3 302.422 0.678 20 30 DCEDHO CCCN1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000775408277 668862169 /nfs/dbraw/zinc/86/21/69/668862169.db2.gz IXYOPXOEBHKFPA-FOCLMDBBSA-N 1 3 306.410 0.977 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000948070567 670053315 /nfs/dbraw/zinc/05/33/15/670053315.db2.gz QRJAEHBRBZAGKG-HOCLYGCPSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000948070567 670053318 /nfs/dbraw/zinc/05/33/18/670053318.db2.gz 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C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099879091 763095066 /nfs/dbraw/zinc/09/50/66/763095066.db2.gz FGVCYCWINSDLIP-JKSUJKDBSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099879091 763095076 /nfs/dbraw/zinc/09/50/76/763095076.db2.gz FGVCYCWINSDLIP-JKSUJKDBSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708639 763455109 /nfs/dbraw/zinc/45/51/09/763455109.db2.gz BUFJEQYTABEYAJ-HUUCEWRRSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708639 763455116 /nfs/dbraw/zinc/45/51/16/763455116.db2.gz BUFJEQYTABEYAJ-HUUCEWRRSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100423540 763568798 /nfs/dbraw/zinc/56/87/98/763568798.db2.gz NONAXFPKZFYRJF-XUJLQICISA-N 1 3 324.469 0.359 20 30 DCEDHO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519265 763843100 /nfs/dbraw/zinc/84/31/00/763843100.db2.gz BVECTRALDZDOCU-UJEKJILKSA-N 1 3 307.438 0.910 20 30 DCEDHO C=CCNC(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834725 764070086 /nfs/dbraw/zinc/07/00/86/764070086.db2.gz GDEFJBPVKKQOMA-UHFFFAOYSA-N 1 3 310.442 0.259 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320703 764595912 /nfs/dbraw/zinc/59/59/12/764595912.db2.gz PEQIYNPFHBJOMS-RBSFLKMASA-N 1 3 324.469 0.313 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783584 765672589 /nfs/dbraw/zinc/67/25/89/765672589.db2.gz ZRRFAMAORKHOIB-CYBMUJFWSA-N 1 3 310.442 0.115 20 30 DCEDHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001110107335 766532390 /nfs/dbraw/zinc/53/23/90/766532390.db2.gz DOFLOZDUDRETGJ-YVSFHVDLSA-N 1 3 319.449 0.700 20 30 DCEDHO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CN1CCOCC1)C2 ZINC001110107335 766532393 /nfs/dbraw/zinc/53/23/93/766532393.db2.gz DOFLOZDUDRETGJ-YVSFHVDLSA-N 1 3 319.449 0.700 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001090830594 766648873 /nfs/dbraw/zinc/64/88/73/766648873.db2.gz NNVRQXMQKJRSCD-IRXDYDNUSA-N 1 3 319.449 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001090830594 766648881 /nfs/dbraw/zinc/64/88/81/766648881.db2.gz NNVRQXMQKJRSCD-IRXDYDNUSA-N 1 3 319.449 0.293 20 30 DCEDHO C=CCCC[C@H](N)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001122124978 767720853 /nfs/dbraw/zinc/72/08/53/767720853.db2.gz UPSCUPOAWPALGQ-ZDUSSCGKSA-N 1 3 304.398 0.508 20 30 DCEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001171873634 769384478 /nfs/dbraw/zinc/38/44/78/769384478.db2.gz SHAYZRIOJFINPT-VUGNNNGISA-N 1 3 319.449 0.747 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@H](OC)C2CCC2)CC1 ZINC001152330499 769528845 /nfs/dbraw/zinc/52/88/45/769528845.db2.gz QDKYBSAXOKXSEQ-KRWDZBQOSA-N 1 3 321.465 0.853 20 30 DCEDHO CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452655 769817736 /nfs/dbraw/zinc/81/77/36/769817736.db2.gz UXALPIGQQDOCKE-BZUAXINKSA-N 1 3 309.454 0.803 20 30 DCEDHO CCN(CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452655 769817747 /nfs/dbraw/zinc/81/77/47/769817747.db2.gz UXALPIGQQDOCKE-BZUAXINKSA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154396402 770168567 /nfs/dbraw/zinc/16/85/67/770168567.db2.gz HWVNNKGZPMMOEB-HCEZTOJASA-N 1 3 305.422 0.309 20 30 DCEDHO C#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154396402 770168577 /nfs/dbraw/zinc/16/85/77/770168577.db2.gz HWVNNKGZPMMOEB-HCEZTOJASA-N 1 3 305.422 0.309 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2cncn2C)CC1 ZINC001176926782 770227358 /nfs/dbraw/zinc/22/73/58/770227358.db2.gz UUGDPBDVEQAEPY-UHFFFAOYSA-N 1 3 317.437 0.361 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176992631 770282412 /nfs/dbraw/zinc/28/24/12/770282412.db2.gz WABXFFQGCXSPBU-GJZGRUSLSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226646 771076829 /nfs/dbraw/zinc/07/68/29/771076829.db2.gz DXBAMUULOMMLDZ-KKUMJFAQSA-N 1 3 322.453 0.044 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)O)CC1 ZINC001157092351 771532195 /nfs/dbraw/zinc/53/21/95/771532195.db2.gz SZNVGYFWIRRQOR-HUUCEWRRSA-N 1 3 309.454 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)O)CC1 ZINC001157092351 771532201 /nfs/dbraw/zinc/53/22/01/771532201.db2.gz SZNVGYFWIRRQOR-HUUCEWRRSA-N 1 3 309.454 0.539 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240377 771627430 /nfs/dbraw/zinc/62/74/30/771627430.db2.gz BVBFNFRUNIIFML-UONOGXRCSA-N 1 3 322.453 0.352 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184559983 771798898 /nfs/dbraw/zinc/79/88/98/771798898.db2.gz PGWLPBXEQFSOOO-SJORKVTESA-N 1 3 319.449 0.701 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160434040 772037451 /nfs/dbraw/zinc/03/74/51/772037451.db2.gz PPPRKVFRPZWGBK-KBPBESRZSA-N 1 3 312.458 0.359 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188139645 772271266 /nfs/dbraw/zinc/27/12/66/772271266.db2.gz QPPPWEZSRFNFCO-ZIAGYGMSSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677723 772839245 /nfs/dbraw/zinc/83/92/45/772839245.db2.gz MATHZMNGVFYDSE-UONOGXRCSA-N 1 3 310.442 0.115 20 30 DCEDHO COCC#CC[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469522 772994514 /nfs/dbraw/zinc/99/45/14/772994514.db2.gz KDOJIVPSNLHOBK-UHFFFAOYSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CCN(CC#C)CC2)C1 ZINC001194247321 773167607 /nfs/dbraw/zinc/16/76/07/773167607.db2.gz WOBYKXBFSPZEJT-KRWDZBQOSA-N 1 3 301.434 0.888 20 30 DCEDHO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2CCN(CC#C)CC2)C1 ZINC001194247321 773167608 /nfs/dbraw/zinc/16/76/08/773167608.db2.gz WOBYKXBFSPZEJT-KRWDZBQOSA-N 1 3 301.434 0.888 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001152334567 773739730 /nfs/dbraw/zinc/73/97/30/773739730.db2.gz IESVNLAKCLSBPI-HNNXBMFYSA-N 1 3 307.438 0.464 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284268 773789908 /nfs/dbraw/zinc/78/99/08/773789908.db2.gz KGYUPLGFOSOKLY-HUUCEWRRSA-N 1 3 324.469 0.598 20 30 DCEDHO N#Cc1c(NC(=O)C[C@H]2C[NH2+]CCO2)sc2c1CCNC2 ZINC001218552215 774244728 /nfs/dbraw/zinc/24/47/28/774244728.db2.gz CTBUHRSQKDCBFB-VIFPVBQESA-N 1 3 306.391 0.582 20 30 DCEDHO N#Cc1cnc(NC(=O)[C@@H](N)CCC[NH3+])c(Br)c1 ZINC001218551747 774245241 /nfs/dbraw/zinc/24/52/41/774245241.db2.gz JQXYYOLDPNNICP-VIFPVBQESA-N 1 3 312.171 0.720 20 30 DCEDHO N#Cc1c(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)sc2c1CCNC2 ZINC001218552680 774246287 /nfs/dbraw/zinc/24/62/87/774246287.db2.gz JGGYKAUONCKHRR-RFAUZJTJSA-N 1 3 317.418 0.155 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCCO1 ZINC001200479213 774360537 /nfs/dbraw/zinc/36/05/37/774360537.db2.gz OOHHRFJNTSYSCY-CVEARBPZSA-N 1 3 307.438 0.700 20 30 DCEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCCO1 ZINC001200687413 774390195 /nfs/dbraw/zinc/39/01/95/774390195.db2.gz ARGWULROLWINQZ-HOTGVXAUSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200687481 774390277 /nfs/dbraw/zinc/39/02/77/774390277.db2.gz CIYGLSHHWYJIRQ-HNNXBMFYSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226470 774467345 /nfs/dbraw/zinc/46/73/45/774467345.db2.gz YMSDMELSVBMGEC-DLBZAZTESA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201226470 774467348 /nfs/dbraw/zinc/46/73/48/774467348.db2.gz YMSDMELSVBMGEC-DLBZAZTESA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)CCCO1 ZINC001201403605 774501870 /nfs/dbraw/zinc/50/18/70/774501870.db2.gz NCZJIDUVDJUANQ-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944159 774653024 /nfs/dbraw/zinc/65/30/24/774653024.db2.gz RIIBYHFQBAWGDT-CABCVRRESA-N 1 3 307.438 0.742 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519247 774832447 /nfs/dbraw/zinc/83/24/47/774832447.db2.gz HTEICZLHDOQIEB-OAHLLOKOSA-N 1 3 320.393 0.056 20 30 DCEDHO C#CCN1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225019838 775631269 /nfs/dbraw/zinc/63/12/69/775631269.db2.gz LGGIRTRCTBTXIQ-UHFFFAOYSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001278184712 945169677 /nfs/dbraw/zinc/16/96/77/945169677.db2.gz QVHXSYFTVUWERP-OAHLLOKOSA-N 1 3 307.438 0.247 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001266569919 939166763 /nfs/dbraw/zinc/16/67/63/939166763.db2.gz QPPPWEZSRFNFCO-KBPBESRZSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001266743590 939226681 /nfs/dbraw/zinc/22/66/81/939226681.db2.gz JRUMLKKPEUNULH-GJZGRUSLSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001481247689 939670119 /nfs/dbraw/zinc/67/01/19/939670119.db2.gz SZCFXBFMJWGAQI-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001481319778 939746389 /nfs/dbraw/zinc/74/63/89/939746389.db2.gz NKTRXCRUARSBBQ-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001481319778 939746392 /nfs/dbraw/zinc/74/63/92/939746392.db2.gz NKTRXCRUARSBBQ-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268321344 940057669 /nfs/dbraw/zinc/05/76/69/940057669.db2.gz MOSMTUQYQRLZCE-CZUORRHYSA-N 1 3 313.417 0.289 20 30 DCEDHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268630510 940309137 /nfs/dbraw/zinc/30/91/37/940309137.db2.gz LYEAWYLIYSDVND-CWDCEQMOSA-N 1 3 319.449 0.630 20 30 DCEDHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1)N(C)C ZINC001271892653 941473605 /nfs/dbraw/zinc/47/36/05/941473605.db2.gz UZRQHZROYLCHCN-OWCLPIDISA-N 1 3 307.438 0.367 20 30 DCEDHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2C1)N(C)C ZINC001271892653 941473606 /nfs/dbraw/zinc/47/36/06/941473606.db2.gz UZRQHZROYLCHCN-OWCLPIDISA-N 1 3 307.438 0.367 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC#CC)CC1 ZINC001483958419 943047002 /nfs/dbraw/zinc/04/70/02/943047002.db2.gz HWFDJAITNWNTNN-KRWDZBQOSA-N 1 3 301.434 0.936 20 30 DCEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)CN(CC)CC)CCO1 ZINC001484677675 943508338 /nfs/dbraw/zinc/50/83/38/943508338.db2.gz GITDJSAWLYBODP-LSDHHAIUSA-N 1 3 313.417 0.507 20 30 DCEDHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001491022904 943714436 /nfs/dbraw/zinc/71/44/36/943714436.db2.gz ISWMSHFXOBMJLC-QLFBSQMISA-N 1 3 313.417 0.553 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CO)[NH2+]CCC(C)(C)C)CC1 ZINC001486064997 944525366 /nfs/dbraw/zinc/52/53/66/944525366.db2.gz BUZXODWSHSRBHX-MRXNPFEDSA-N 1 3 323.481 0.835 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)CC1 ZINC001317033501 944750183 /nfs/dbraw/zinc/75/01/83/944750183.db2.gz HPWXFXSHKLWMAN-MRXNPFEDSA-N 1 3 307.438 0.198 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@H]2CCOC2)CC1 ZINC001318608793 945411939 /nfs/dbraw/zinc/41/19/39/945411939.db2.gz YUUZXSGZDNFOFO-WBVHZDCISA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@@H](C)OC)CC1 ZINC001273205017 945827411 /nfs/dbraw/zinc/82/74/11/945827411.db2.gz RDEDPXPZKQCAIQ-LSDHHAIUSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CC[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCOCC1 ZINC001278707382 946101573 /nfs/dbraw/zinc/10/15/73/946101573.db2.gz JVBHWYOOJKOKBU-OAHLLOKOSA-N 1 3 307.438 0.747 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027954 946751224 /nfs/dbraw/zinc/75/12/24/946751224.db2.gz KMMGHLLRRLTCMU-ZIAGYGMSSA-N 1 3 324.469 0.361 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027954 946751229 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ZINC001715056219 1181675685 /nfs/dbraw/zinc/67/56/85/1181675685.db2.gz JZGIJUCHDMXAIN-MGPQQGTHSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715056219 1181675687 /nfs/dbraw/zinc/67/56/87/1181675687.db2.gz JZGIJUCHDMXAIN-MGPQQGTHSA-N 1 3 310.442 0.113 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001715245206 1181732360 /nfs/dbraw/zinc/73/23/60/1181732360.db2.gz MCMKUCNZKWRKMJ-HNNXBMFYSA-N 1 3 309.454 0.853 20 30 DCEDHO CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001717588263 1182911819 /nfs/dbraw/zinc/91/18/19/1182911819.db2.gz WTGFVQCKHYKBFC-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001717588263 1182911823 /nfs/dbraw/zinc/91/18/23/1182911823.db2.gz WTGFVQCKHYKBFC-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001717714592 1182967499 /nfs/dbraw/zinc/96/74/99/1182967499.db2.gz QBVJXUUFKZXVAF-MRXNPFEDSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001717714592 1182967502 /nfs/dbraw/zinc/96/75/02/1182967502.db2.gz QBVJXUUFKZXVAF-MRXNPFEDSA-N 1 3 309.454 0.947 20 30 DCEDHO CN(C[C@@H](O)CNCC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001717926230 1183067026 /nfs/dbraw/zinc/06/70/26/1183067026.db2.gz RIWWSHQMVDFECM-KRWDZBQOSA-N 1 3 317.433 0.399 20 30 DCEDHO COCC#CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001724942696 1184630704 /nfs/dbraw/zinc/63/07/04/1184630704.db2.gz XKXTYCHARVBIRG-CABCVRRESA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725496952 1184846625 /nfs/dbraw/zinc/84/66/25/1184846625.db2.gz FUZLSYKSCPIKSQ-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731297450 1185246988 /nfs/dbraw/zinc/24/69/88/1185246988.db2.gz NNYSWXOADUGRGA-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC2(C[C@@H]2NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001731383667 1185311753 /nfs/dbraw/zinc/31/17/53/1185311753.db2.gz UMGADCWGCJJNKN-INIZCTEOSA-N 1 3 319.449 0.701 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001731859698 1185533142 /nfs/dbraw/zinc/53/31/42/1185533142.db2.gz YGUUXLKSRTVUEJ-HOTGVXAUSA-N 1 3 307.438 0.416 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731859698 1185533146 /nfs/dbraw/zinc/53/31/46/1185533146.db2.gz YGUUXLKSRTVUEJ-HOTGVXAUSA-N 1 3 307.438 0.416 20 30 DCEDHO C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001733483398 1186291881 /nfs/dbraw/zinc/29/18/81/1186291881.db2.gz RXBJLNWFFXBERT-GDBMZVCRSA-N 1 3 315.433 0.795 20 30 DCEDHO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001733483398 1186291884 /nfs/dbraw/zinc/29/18/84/1186291884.db2.gz RXBJLNWFFXBERT-GDBMZVCRSA-N 1 3 315.433 0.795 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001733825572 1186464624 /nfs/dbraw/zinc/46/46/24/1186464624.db2.gz AYIYADHHZHRHPP-GOSISDBHSA-N 1 3 321.465 0.829 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CN(C)C(C)C)CC2 ZINC001734201434 1186577090 /nfs/dbraw/zinc/57/70/90/1186577090.db2.gz KHILGGYHCVKJNW-INIZCTEOSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC[C@H](C)O)C2)CC1 ZINC001752686928 1188433518 /nfs/dbraw/zinc/43/35/18/1188433518.db2.gz FGXLCESALFIWBN-XIRDDKMYSA-N 1 3 321.465 0.729 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)CCC)C2)C1=O ZINC001752773729 1188438070 /nfs/dbraw/zinc/43/80/70/1188438070.db2.gz VZWAWEUKTFOOMF-QLFBSQMISA-N 1 3 322.453 0.352 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)CC1 ZINC001753644558 1188629590 /nfs/dbraw/zinc/62/95/90/1188629590.db2.gz IZAJBBOXCCXPKB-INIZCTEOSA-N 1 3 319.449 0.323 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001753729232 1188648596 /nfs/dbraw/zinc/64/85/96/1188648596.db2.gz IVFYFRFXNUJCMR-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001754024930 1188714495 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N#C[C@H]1CNCC12CC(C(=O)N1CCC([C@@H]3CC[NH2+]C3)CC1)C2 ZINC001771873726 1190538761 /nfs/dbraw/zinc/53/87/61/1190538761.db2.gz UCAIGKBNSVEZFK-CTMQZQKCSA-N 1 3 316.449 0.974 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131801 750216837 /nfs/dbraw/zinc/21/68/37/750216837.db2.gz KZSGWHDLIGMWMF-BZUAXINKSA-N 1 3 309.454 0.987 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077131801 750216843 /nfs/dbraw/zinc/21/68/43/750216843.db2.gz KZSGWHDLIGMWMF-BZUAXINKSA-N 1 3 309.454 0.987 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H]2C)CC1 ZINC001089060156 750782291 /nfs/dbraw/zinc/78/22/91/750782291.db2.gz WHGATUPGDSCVLC-ZBFHGGJFSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)[C@@H]2C)CC1 ZINC001089060156 750782293 /nfs/dbraw/zinc/78/22/93/750782293.db2.gz WHGATUPGDSCVLC-ZBFHGGJFSA-N 1 3 307.438 0.293 20 30 DCEDHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203522689 751289608 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C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830592 766649025 /nfs/dbraw/zinc/64/90/25/766649025.db2.gz NNVRQXMQKJRSCD-DLBZAZTESA-N 1 3 319.449 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830592 766649031 /nfs/dbraw/zinc/64/90/31/766649031.db2.gz NNVRQXMQKJRSCD-DLBZAZTESA-N 1 3 319.449 0.293 20 30 DCEDHO C[N@@H+]1CC[C@](O)(CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591025 767087897 /nfs/dbraw/zinc/08/78/97/767087897.db2.gz TUJOISPQMKATCD-INIZCTEOSA-N 1 3 302.378 0.543 20 30 DCEDHO C[N@H+]1CC[C@](O)(CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001120591025 767087910 /nfs/dbraw/zinc/08/79/10/767087910.db2.gz TUJOISPQMKATCD-INIZCTEOSA-N 1 3 302.378 0.543 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCO)CC1 ZINC001146609394 767488182 /nfs/dbraw/zinc/48/81/82/767488182.db2.gz FCEOMOKXIXSKCF-CABCVRRESA-N 1 3 309.454 0.587 20 30 DCEDHO C=CCNC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151354738 769321892 /nfs/dbraw/zinc/32/18/92/769321892.db2.gz 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C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179983352 771043325 /nfs/dbraw/zinc/04/33/25/771043325.db2.gz XOSADTORMJNILF-ILXRZTDVSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473105 771497388 /nfs/dbraw/zinc/49/73/88/771497388.db2.gz OIRJWUIWUCHQPS-CABCVRRESA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473105 771497391 /nfs/dbraw/zinc/49/73/91/771497391.db2.gz OIRJWUIWUCHQPS-CABCVRRESA-N 1 3 322.453 0.352 20 30 DCEDHO N#CCCN(Cc1cccnc1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157720597 771658319 /nfs/dbraw/zinc/65/83/19/771658319.db2.gz MIKPMZCSRJVPLM-NVXWUHKLSA-N 1 3 313.405 0.523 20 30 DCEDHO CC[C@H](C(=O)N1CC[C@@H](NCC#CCOC)C1)[NH+](CC)CC ZINC001185610124 771935325 /nfs/dbraw/zinc/93/53/25/771935325.db2.gz ROVJIWSSHRZIGG-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185610158 771935378 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C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262478556 526346977 /nfs/dbraw/zinc/34/69/77/526346977.db2.gz QTSJRRWGEGXTMW-CQSZACIVSA-N 1 3 307.442 0.401 20 30 DCEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000362080179 526597531 /nfs/dbraw/zinc/59/75/31/526597531.db2.gz RDAGRVYUHGXGRW-INIZCTEOSA-N 1 3 306.454 0.533 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCS(=O)(=O)CC1 ZINC000158343376 657890562 /nfs/dbraw/zinc/89/05/62/657890562.db2.gz PEMQKKVWOUNIAF-CYBMUJFWSA-N 1 3 316.471 0.200 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891921314 657917498 /nfs/dbraw/zinc/91/74/98/657917498.db2.gz MTSBYEVVUIAOMP-LBPRGKRZSA-N 1 3 302.369 0.486 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC000970922660 658084311 /nfs/dbraw/zinc/08/43/11/658084311.db2.gz AFGZERWDPXGHCE-CABCVRRESA-N 1 3 321.465 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001025630267 659497331 /nfs/dbraw/zinc/49/73/31/659497331.db2.gz 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C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001176926431 770225902 /nfs/dbraw/zinc/22/59/02/770225902.db2.gz MDNIMWURTLFITF-QGZVFWFLSA-N 1 3 321.465 0.997 20 30 DCEDHO CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)NO ZINC001157304262 771583594 /nfs/dbraw/zinc/58/35/94/771583594.db2.gz XJHJWZOYWAINHA-RYUDHWBXSA-N 1 3 302.419 0.082 20 30 DCEDHO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184433427 771786930 /nfs/dbraw/zinc/78/69/30/771786930.db2.gz IFLLJLSBANHPEA-GYMHETDLSA-N 1 3 303.406 0.063 20 30 DCEDHO C[C@@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)[C@H]1CNCCO1 ZINC001159488473 771917980 /nfs/dbraw/zinc/91/79/80/771917980.db2.gz DKCGAVXGCLFJMA-IAQYHMDHSA-N 1 3 301.394 0.778 20 30 DCEDHO C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001186514264 772050406 /nfs/dbraw/zinc/05/04/06/772050406.db2.gz XKEXFCQHQFFXJO-AWEZNQCLSA-N 1 3 318.421 0.983 20 30 DCEDHO C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161537432 772241166 /nfs/dbraw/zinc/24/11/66/772241166.db2.gz 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DCEDHO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001734414697 1186646827 /nfs/dbraw/zinc/64/68/27/1186646827.db2.gz FTXZXDSVLJCRIM-CABCVRRESA-N 1 3 307.438 0.700 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001734505365 1186667872 /nfs/dbraw/zinc/66/78/72/1186667872.db2.gz TUMNUIYLQSXFAY-KBPBESRZSA-N 1 3 322.453 0.067 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001734505365 1186667873 /nfs/dbraw/zinc/66/78/73/1186667873.db2.gz TUMNUIYLQSXFAY-KBPBESRZSA-N 1 3 322.453 0.067 20 30 DCEDHO C=C(C)CN1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752357576 1188417383 /nfs/dbraw/zinc/41/73/83/1188417383.db2.gz WEXVBUTVHKEKTN-INIZCTEOSA-N 1 3 308.470 0.638 20 30 DCEDHO C=C(C)CN1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001752357576 1188417384 /nfs/dbraw/zinc/41/73/84/1188417384.db2.gz WEXVBUTVHKEKTN-INIZCTEOSA-N 1 3 308.470 0.638 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001752983848 1188471430 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C#CCC[N@H+]1CC[C@H](NC(=O)C2CCN(CC#C)CC2)[C@H]1C ZINC001089059300 750781530 /nfs/dbraw/zinc/78/15/30/750781530.db2.gz HPMZCQJZEZWVIK-WBVHZDCISA-N 1 3 301.434 0.934 20 30 DCEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CCN(CC#C)CC2)[C@H]1C ZINC001089059300 750781532 /nfs/dbraw/zinc/78/15/32/750781532.db2.gz HPMZCQJZEZWVIK-WBVHZDCISA-N 1 3 301.434 0.934 20 30 DCEDHO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035092 753437272 /nfs/dbraw/zinc/43/72/72/753437272.db2.gz DIYHODFSCHJDFX-KRWDZBQOSA-N 1 3 320.481 0.875 20 30 DCEDHO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035092 753437277 /nfs/dbraw/zinc/43/72/77/753437277.db2.gz DIYHODFSCHJDFX-KRWDZBQOSA-N 1 3 320.481 0.875 20 30 DCEDHO C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046062536 753455991 /nfs/dbraw/zinc/45/59/91/753455991.db2.gz UFYJFJBZUKLENV-IAGOWNOFSA-N 1 3 322.497 0.977 20 30 DCEDHO C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046062536 753455996 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C#CCN1CCC(C(=O)NCC[NH2+]C[C@H](OCC)C2CC2)CC1 ZINC001152330035 769529147 /nfs/dbraw/zinc/52/91/47/769529147.db2.gz IESPIMGWFPFMDY-KRWDZBQOSA-N 1 3 321.465 0.853 20 30 DCEDHO C=CCC1(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001238239498 770108496 /nfs/dbraw/zinc/10/84/96/770108496.db2.gz CJIWUAUXQRTOBX-ZDUSSCGKSA-N 1 3 313.467 0.889 20 30 DCEDHO C=CCC1(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001238239498 770108501 /nfs/dbraw/zinc/10/85/01/770108501.db2.gz CJIWUAUXQRTOBX-ZDUSSCGKSA-N 1 3 313.467 0.889 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CN(C)C(C)C)C1=O ZINC001176972024 770264399 /nfs/dbraw/zinc/26/43/99/770264399.db2.gz LBDNPWYFMRLIEO-CQSZACIVSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179764232 771013218 /nfs/dbraw/zinc/01/32/18/771013218.db2.gz VERIYZCMFMCFLV-KBPBESRZSA-N 1 3 310.442 0.209 20 30 DCEDHO N#Cc1ccccc1N1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001157473697 771616157 /nfs/dbraw/zinc/61/61/57/771616157.db2.gz AEGVYGUADADHHI-HNNXBMFYSA-N 1 3 315.421 0.663 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240806 771627592 /nfs/dbraw/zinc/62/75/92/771627592.db2.gz UXZSPVAONFPSBV-IAGOWNOFSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240806 771627595 /nfs/dbraw/zinc/62/75/95/771627595.db2.gz UXZSPVAONFPSBV-IAGOWNOFSA-N 1 3 321.465 0.805 20 30 DCEDHO N#Cc1ccc2c(c1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001157935586 771697215 /nfs/dbraw/zinc/69/72/15/771697215.db2.gz DYSWPQHTNNOPNL-SJLPKXTDSA-N 1 3 310.401 0.642 20 30 DCEDHO N#Cc1c[nH]c2ncnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c12 ZINC001158258225 771748059 /nfs/dbraw/zinc/74/80/59/771748059.db2.gz UEMXEDRKLUPAPD-GFCCVEGCSA-N 1 3 311.393 0.831 20 30 DCEDHO N#Cc1c[nH]c2ncnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c12 ZINC001158258225 771748065 /nfs/dbraw/zinc/74/80/65/771748065.db2.gz UEMXEDRKLUPAPD-GFCCVEGCSA-N 1 3 311.393 0.831 20 30 DCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407803 771916361 /nfs/dbraw/zinc/91/63/61/771916361.db2.gz CKQBYIBIGPSRBU-OAHLLOKOSA-N 1 3 324.469 0.553 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160434043 772037653 /nfs/dbraw/zinc/03/76/53/772037653.db2.gz PPPRKVFRPZWGBK-KGLIPLIRSA-N 1 3 312.458 0.359 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC12CCOCC2 ZINC001186560867 772055606 /nfs/dbraw/zinc/05/56/06/772055606.db2.gz JNXGQBHTAUNLGN-MRXNPFEDSA-N 1 3 321.465 0.805 20 30 DCEDHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)CC#N ZINC001192963401 772982081 /nfs/dbraw/zinc/98/20/81/772982081.db2.gz LMKPDPFFYMMOFA-UHFFFAOYSA-N 1 3 318.487 0.825 20 30 DCEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001205345775 772988086 /nfs/dbraw/zinc/98/80/86/772988086.db2.gz YAHLPDZSSYFVHY-IRXDYDNUSA-N 1 3 319.449 0.701 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208374056 773446267 /nfs/dbraw/zinc/44/62/67/773446267.db2.gz VALVAPVGKVNREP-CVEARBPZSA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640021 773509850 /nfs/dbraw/zinc/50/98/50/773509850.db2.gz XLLVPNMBZWLEJF-NDUQDZPOSA-N 1 3 317.433 0.454 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277415 773581818 /nfs/dbraw/zinc/58/18/18/773581818.db2.gz INBFYIVBHHAOFQ-CQSZACIVSA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001152330730 773730727 /nfs/dbraw/zinc/73/07/27/773730727.db2.gz UGXGJGOSTHTUQT-FUHWJXTLSA-N 1 3 319.449 0.464 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861020 774019753 /nfs/dbraw/zinc/01/97/53/774019753.db2.gz FVRPHPNKRCFUMN-GDBMZVCRSA-N 1 3 307.438 0.557 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203932290 774076569 /nfs/dbraw/zinc/07/65/69/774076569.db2.gz BGYWRMDAUDCDQC-CQSZACIVSA-N 1 3 324.469 0.598 20 30 DCEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201403378 774501737 /nfs/dbraw/zinc/50/17/37/774501737.db2.gz KFKMQNQEVFCNMQ-HOTGVXAUSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202358607 774640261 /nfs/dbraw/zinc/64/02/61/774640261.db2.gz CTOVVLCHYPLLOU-MRXNPFEDSA-N 1 3 309.454 0.803 20 30 DCEDHO O=C(/C=C/NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(F)(F)F ZINC001220343551 774779415 /nfs/dbraw/zinc/77/94/15/774779415.db2.gz SBXRUNPUEDGVPJ-YUWISIADSA-N 1 3 305.300 0.622 20 30 DCEDHO C=C1C[NH2+][C@](C)(C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221393022 775084516 /nfs/dbraw/zinc/08/45/16/775084516.db2.gz SXKPKOOXCZBREM-KRWDZBQOSA-N 1 3 302.422 0.863 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001266569920 939167060 /nfs/dbraw/zinc/16/70/60/939167060.db2.gz QPPPWEZSRFNFCO-KGLIPLIRSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001266743591 939225853 /nfs/dbraw/zinc/22/58/53/939225853.db2.gz JRUMLKKPEUNULH-HUUCEWRRSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001267043949 939321824 /nfs/dbraw/zinc/32/18/24/939321824.db2.gz FMUKVTMVQUFAKB-CQSZACIVSA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001267429054 939454166 /nfs/dbraw/zinc/45/41/66/939454166.db2.gz MHURLDJNHQWDSZ-GJZGRUSLSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCN1CC[C@H](NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001267429054 939454168 /nfs/dbraw/zinc/45/41/68/939454168.db2.gz MHURLDJNHQWDSZ-GJZGRUSLSA-N 1 3 322.453 0.163 20 30 DCEDHO COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001267484870 939474864 /nfs/dbraw/zinc/47/48/64/939474864.db2.gz QDEJEKLBDQFZOB-WBVHZDCISA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001481301853 939731753 /nfs/dbraw/zinc/73/17/53/939731753.db2.gz DKNTYCHXURZKFS-LSDHHAIUSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCN1CC[C@@H](NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001481301853 939731755 /nfs/dbraw/zinc/73/17/55/939731755.db2.gz DKNTYCHXURZKFS-LSDHHAIUSA-N 1 3 322.453 0.163 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001481522338 939913896 /nfs/dbraw/zinc/91/38/96/939913896.db2.gz FQXPVMRKRWVNCI-ILXRZTDVSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001268100588 939947626 /nfs/dbraw/zinc/94/76/26/939947626.db2.gz NPHRMWXNAJYLRX-HUUCEWRRSA-N 1 3 322.453 0.306 20 30 DCEDHO COCC#CC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001481913414 940179979 /nfs/dbraw/zinc/17/99/79/940179979.db2.gz UWKKQMZGBJXHHS-UHFFFAOYSA-N 1 3 309.454 0.995 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001269972888 940808368 /nfs/dbraw/zinc/80/83/68/940808368.db2.gz PSRZWNJVWOCEIE-CHWSQXEVSA-N 1 3 319.409 0.224 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001269981431 940810102 /nfs/dbraw/zinc/81/01/02/940810102.db2.gz LSAOOCCKVLLOTL-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293057 940912553 /nfs/dbraw/zinc/91/25/53/940912553.db2.gz UVUBQXJBBMLMQT-CYBMUJFWSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001272520336 942799995 /nfs/dbraw/zinc/79/99/95/942799995.db2.gz HGSODYBRZQIBCK-CJNGLKHVSA-N 1 3 313.417 0.289 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC=C)C2)CC1 ZINC001484251571 943263124 /nfs/dbraw/zinc/26/31/24/943263124.db2.gz FUAODUUPNJVEKH-KRWDZBQOSA-N 1 3 305.422 0.071 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CC=C)C2)CC1 ZINC001484251571 943263134 /nfs/dbraw/zinc/26/31/34/943263134.db2.gz FUAODUUPNJVEKH-KRWDZBQOSA-N 1 3 305.422 0.071 20 30 DCEDHO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001485604313 944028351 /nfs/dbraw/zinc/02/83/51/944028351.db2.gz VESMAKAJKGWEJF-JONQDZQNSA-N 1 3 309.429 0.984 20 30 DCEDHO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001485604313 944028357 /nfs/dbraw/zinc/02/83/57/944028357.db2.gz VESMAKAJKGWEJF-JONQDZQNSA-N 1 3 309.429 0.984 20 30 DCEDHO C=CCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485998388 944472821 /nfs/dbraw/zinc/47/28/21/944472821.db2.gz WNIAVZNWTTVNFF-HUUCEWRRSA-N 1 3 309.454 0.894 20 30 DCEDHO C=CCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485998388 944472827 /nfs/dbraw/zinc/47/28/27/944472827.db2.gz WNIAVZNWTTVNFF-HUUCEWRRSA-N 1 3 309.454 0.894 20 30 DCEDHO C=CCN1CC[C@@]2(CCCN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246704319 945465051 /nfs/dbraw/zinc/46/50/51/945465051.db2.gz QKJXEKIGSVQANY-DOTOQJQBSA-N 1 3 318.465 0.581 20 30 DCEDHO N#Cc1ccnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246836625 945501645 /nfs/dbraw/zinc/50/16/45/945501645.db2.gz MMDIHXRTOIXIIY-OAHLLOKOSA-N 1 3 312.421 0.169 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)O)CC(C)C)CC1 ZINC001319641700 945637194 /nfs/dbraw/zinc/63/71/94/945637194.db2.gz AMUCCXUHXZVINB-NVXWUHKLSA-N 1 3 323.481 0.833 20 30 DCEDHO C#CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001251896992 945812689 /nfs/dbraw/zinc/81/26/89/945812689.db2.gz RPESUKWCDIZDED-GOSISDBHSA-N 1 3 317.433 0.894 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCO1 ZINC001273323479 946629231 /nfs/dbraw/zinc/62/92/31/946629231.db2.gz NTGQRILVGFPVHE-HOTGVXAUSA-N 1 3 307.438 0.700 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CCC ZINC001324263374 947370364 /nfs/dbraw/zinc/37/03/64/947370364.db2.gz LEQOJGIWRUSLMW-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336904 947662914 /nfs/dbraw/zinc/66/29/14/947662914.db2.gz OHOPANOMIUCSTQ-UHFFFAOYSA-N 1 3 318.421 0.370 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)CC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001273766098 948076774 /nfs/dbraw/zinc/07/67/74/948076774.db2.gz XAOLXZGFXIHXNA-OAHLLOKOSA-N 1 3 322.453 0.034 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CCOCC)C2)CC1 ZINC001328961693 949236620 /nfs/dbraw/zinc/23/66/20/949236620.db2.gz UYULOYXIRFYXIT-UHFFFAOYSA-N 1 3 321.465 0.853 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001265663886 949857913 /nfs/dbraw/zinc/85/79/13/949857913.db2.gz MVEQVGJZSYCOMP-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265813431 949964156 /nfs/dbraw/zinc/96/41/56/949964156.db2.gz QVSLRHUMZBKVAT-IHRRRGAJSA-N 1 3 310.442 0.113 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265813431 949964169 /nfs/dbraw/zinc/96/41/69/949964169.db2.gz QVSLRHUMZBKVAT-IHRRRGAJSA-N 1 3 310.442 0.113 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280152950 950779156 /nfs/dbraw/zinc/77/91/56/950779156.db2.gz OTUBYXUUEASMSA-HZPDHXFCSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331156320 950973426 /nfs/dbraw/zinc/97/34/26/950973426.db2.gz VSHPQPRMRPJCKV-GXTWGEPZSA-N 1 3 308.426 0.139 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC1(C)C ZINC001332437236 951644651 /nfs/dbraw/zinc/64/46/51/951644651.db2.gz LKPIFNQLMWRGFB-AWEZNQCLSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001336894216 952780910 /nfs/dbraw/zinc/78/09/10/952780910.db2.gz MNJXLHFQKPOAND-NEPJUHHUSA-N 1 3 320.359 0.863 20 30 DCEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001341697699 953245605 /nfs/dbraw/zinc/24/56/05/953245605.db2.gz UURTYIDFZRWBDL-HNNXBMFYSA-N 1 3 324.469 0.683 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001281808805 953370919 /nfs/dbraw/zinc/37/09/19/953370919.db2.gz RSIWXIYCUVKHMB-INIZCTEOSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281808805 953370930 /nfs/dbraw/zinc/37/09/30/953370930.db2.gz RSIWXIYCUVKHMB-INIZCTEOSA-N 1 3 321.465 0.827 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001283111574 954019475 /nfs/dbraw/zinc/01/94/75/954019475.db2.gz ROHKSGQYFPTUIM-QBPKDAKJSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001348217368 954232942 /nfs/dbraw/zinc/23/29/42/954232942.db2.gz BNFFHBRJAAJZBQ-UHFFFAOYSA-N 1 3 324.469 0.363 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316824407 960394985 /nfs/dbraw/zinc/39/49/85/960394985.db2.gz RACINLOEJXIITD-MRXNPFEDSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001507503450 1016427879 /nfs/dbraw/zinc/42/78/79/1016427879.db2.gz CBQNNZCPFFXBGV-XJKSGUPXSA-N 1 3 313.417 0.241 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@@H](CC)OC)CC2)CC1 ZINC001499458216 1017941421 /nfs/dbraw/zinc/94/14/21/1017941421.db2.gz BMNIJHMKTGKUQA-MRXNPFEDSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001497827678 1018452616 /nfs/dbraw/zinc/45/26/16/1018452616.db2.gz NJOIOJYWELOOAP-OLZOCXBDSA-N 1 3 310.442 0.256 20 30 DCEDHO 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C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001500686745 1018580656 /nfs/dbraw/zinc/58/06/56/1018580656.db2.gz KOPRUAUTDHHGOI-QGZVFWFLSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001480538072 1018637372 /nfs/dbraw/zinc/63/73/72/1018637372.db2.gz STZITNYTMWKZQJ-KGLIPLIRSA-N 1 3 324.469 0.197 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001480770170 1018888659 /nfs/dbraw/zinc/88/86/59/1018888659.db2.gz PIAFHNRUINDWDO-KBPBESRZSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072978 1019687405 /nfs/dbraw/zinc/68/74/05/1019687405.db2.gz XSTMHILHHVQFBP-CVEARBPZSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072978 1019687409 /nfs/dbraw/zinc/68/74/09/1019687409.db2.gz XSTMHILHHVQFBP-CVEARBPZSA-N 1 3 307.438 0.559 20 30 DCEDHO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281609226 238364951 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20 30 DCEDHO C=CCN1CC[C@H]([NH2+]CCCNC(=O)CN2CCC[C@@H]2C)C1=O ZINC001166627063 772831130 /nfs/dbraw/zinc/83/11/30/772831130.db2.gz PALYLVTUWZJNQM-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203522681 772911393 /nfs/dbraw/zinc/91/13/93/772911393.db2.gz NXSMTQXRPWUFII-CVEARBPZSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205344187 772988329 /nfs/dbraw/zinc/98/83/29/772988329.db2.gz CKGZOKAJHLQXER-CVEARBPZSA-N 1 3 307.438 0.864 20 30 DCEDHO COCC#CC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206402854 773073994 /nfs/dbraw/zinc/07/39/94/773073994.db2.gz MKXWLPWNHQMNIU-UHFFFAOYSA-N 1 3 304.394 0.430 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454323 773467255 /nfs/dbraw/zinc/46/72/55/773467255.db2.gz VAEOMCLKFBKRLS-AWEZNQCLSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208454323 773467257 /nfs/dbraw/zinc/46/72/57/773467257.db2.gz VAEOMCLKFBKRLS-AWEZNQCLSA-N 1 3 324.469 0.600 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209633360 773627610 /nfs/dbraw/zinc/62/76/10/773627610.db2.gz SWZHTSXFUQPLLN-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211267836 773787614 /nfs/dbraw/zinc/78/76/14/773787614.db2.gz DNIDXBMKGHTVMV-CQSZACIVSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370605 774099241 /nfs/dbraw/zinc/09/92/41/774099241.db2.gz ZYTRFNBSDDMDLY-HZPDHXFCSA-N 1 3 309.454 0.990 20 30 DCEDHO N#Cc1c(NC(=O)[C@H]2C[NH2+]CC23CNC3)sc2c1CCC2 ZINC001218549434 774243970 /nfs/dbraw/zinc/24/39/70/774243970.db2.gz WKHAHOCSYFFJMZ-LLVKDONJSA-N 1 3 302.403 0.856 20 30 DCEDHO N#Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)sc2c1CCNC2 ZINC001218552677 774246307 /nfs/dbraw/zinc/24/63/07/774246307.db2.gz JGGYKAUONCKHRR-PSLIRLAXSA-N 1 3 317.418 0.155 20 30 DCEDHO N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218718111 774287798 /nfs/dbraw/zinc/28/77/98/774287798.db2.gz MAAMCZGOFURCMD-OLZOCXBDSA-N 1 3 308.345 0.643 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553865 774361799 /nfs/dbraw/zinc/36/17/99/774361799.db2.gz BHAMQEVINJOPRB-OWCLPIDISA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553865 774361805 /nfs/dbraw/zinc/36/18/05/774361805.db2.gz BHAMQEVINJOPRB-OWCLPIDISA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226473 774467317 /nfs/dbraw/zinc/46/73/17/774467317.db2.gz YMSDMELSVBMGEC-SJORKVTESA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201226473 774467321 /nfs/dbraw/zinc/46/73/21/774467321.db2.gz YMSDMELSVBMGEC-SJORKVTESA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201239398 774469115 /nfs/dbraw/zinc/46/91/15/774469115.db2.gz KNVWMVUMDZOZCW-DZGCQCFKSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@H](C)C2)CCCO1 ZINC001201402311 774501162 /nfs/dbraw/zinc/50/11/62/774501162.db2.gz CHFAIFYBUGYSJP-HOTGVXAUSA-N 1 3 307.438 0.559 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201576632 774527224 /nfs/dbraw/zinc/52/72/24/774527224.db2.gz LVHDCGQOZDOEPJ-QGZVFWFLSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CC[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496765 774729616 /nfs/dbraw/zinc/72/96/16/774729616.db2.gz XRFIVDZZHNAOFY-OAHLLOKOSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531686 774886320 /nfs/dbraw/zinc/88/63/20/774886320.db2.gz KNVWMVUMDZOZCW-ZFWWWQNUSA-N 1 3 322.453 0.045 20 30 DCEDHO COCC#CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001317684355 945164311 /nfs/dbraw/zinc/16/43/11/945164311.db2.gz XYSQSUDAOYGKAK-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO COCC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001317684355 945164317 /nfs/dbraw/zinc/16/43/17/945164317.db2.gz XYSQSUDAOYGKAK-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001266529967 939153277 /nfs/dbraw/zinc/15/32/77/939153277.db2.gz RZBQSQQITGANHU-LSDHHAIUSA-N 1 3 313.417 0.507 20 30 DCEDHO C#CCCN1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001279531032 939265954 /nfs/dbraw/zinc/26/59/54/939265954.db2.gz YLKKIMQNMZKASB-GOSISDBHSA-N 1 3 321.465 0.829 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001267071280 939331171 /nfs/dbraw/zinc/33/11/71/939331171.db2.gz UEZCJZRKRQOKBZ-HUUCEWRRSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCO)CC(C)C)CC1 ZINC001496302046 939582964 /nfs/dbraw/zinc/58/29/64/939582964.db2.gz VZMOFSDLHJNGLS-INIZCTEOSA-N 1 3 309.454 0.444 20 30 DCEDHO C#CC[NH2+]CC1(NC(=O)C2CCN(CC#C)CC2)CCCC1 ZINC001267846240 939693639 /nfs/dbraw/zinc/69/36/39/939693639.db2.gz BMUIYVIXIBBHPJ-UHFFFAOYSA-N 1 3 301.434 0.983 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001270193155 940853019 /nfs/dbraw/zinc/85/30/19/940853019.db2.gz HDYNKAYSQBTNSW-HUUCEWRRSA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCCN1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271956039 941491436 /nfs/dbraw/zinc/49/14/36/941491436.db2.gz AJMAUVJRCXLYEY-FUHWJXTLSA-N 1 3 319.449 0.295 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001272196128 941793403 /nfs/dbraw/zinc/79/34/03/941793403.db2.gz JDZGIDCQWVHLQO-JKSUJKDBSA-N 1 3 307.438 0.437 20 30 DCEDHO CC#CCNCCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001272196128 941793404 /nfs/dbraw/zinc/79/34/04/941793404.db2.gz JDZGIDCQWVHLQO-JKSUJKDBSA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)OC)C2CC2)CC1 ZINC001483608669 942461425 /nfs/dbraw/zinc/46/14/25/942461425.db2.gz UPXPEBPUWFPZGX-PBHICJAKSA-N 1 3 321.465 0.851 20 30 DCEDHO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001484954141 943636306 /nfs/dbraw/zinc/63/63/06/943636306.db2.gz GVZHZXPLVYUDTK-AWEZNQCLSA-N 1 3 313.417 0.243 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001485752007 944120199 /nfs/dbraw/zinc/12/01/99/944120199.db2.gz SJTYJOAKYFLACT-KGLIPLIRSA-N 1 3 322.453 0.080 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001486476924 944912695 /nfs/dbraw/zinc/91/26/95/944912695.db2.gz TUKYJGNCDWKVKA-NFOMZHRRSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001319285608 945540362 /nfs/dbraw/zinc/54/03/62/945540362.db2.gz NHKBOPRYRKEVSD-CVEARBPZSA-N 1 3 321.465 0.710 20 30 DCEDHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC#Cc2ccccc2)C1 ZINC001320313797 945817280 /nfs/dbraw/zinc/81/72/80/945817280.db2.gz NPDJRVGIMXJLHP-IRXDYDNUSA-N 1 3 315.417 0.057 20 30 DCEDHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCC#Cc2ccccc2)C1 ZINC001320313797 945817293 /nfs/dbraw/zinc/81/72/93/945817293.db2.gz NPDJRVGIMXJLHP-IRXDYDNUSA-N 1 3 315.417 0.057 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)CC)CC1 ZINC001320316708 945820013 /nfs/dbraw/zinc/82/00/13/945820013.db2.gz NNOSKCRVSSVNSY-HOCLYGCPSA-N 1 3 309.454 0.444 20 30 DCEDHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCOCC1 ZINC001278728138 946126439 /nfs/dbraw/zinc/12/64/39/946126439.db2.gz CIVAJMWAGGOEMH-OAHLLOKOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322003813 946546523 /nfs/dbraw/zinc/54/65/23/946546523.db2.gz CRCOZRABBJRUBB-GJZGRUSLSA-N 1 3 322.453 0.095 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753212 948066574 /nfs/dbraw/zinc/06/65/74/948066574.db2.gz SGXZESYWOVQIJJ-KGLIPLIRSA-N 1 3 310.442 0.067 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273753212 948066578 /nfs/dbraw/zinc/06/65/78/948066578.db2.gz SGXZESYWOVQIJJ-KGLIPLIRSA-N 1 3 310.442 0.067 20 30 DCEDHO N#CCCCC[C@@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326827088 948293968 /nfs/dbraw/zinc/29/39/68/948293968.db2.gz BOVBBYUECLJKCC-KFWWJZLASA-N 1 3 308.426 0.752 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001265947258 950180454 /nfs/dbraw/zinc/18/04/54/950180454.db2.gz BQIDYDZQAMVZBM-INIZCTEOSA-N 1 3 307.438 0.703 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001331133194 950944885 /nfs/dbraw/zinc/94/48/85/950944885.db2.gz PDTYAZQTBPMTAI-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001331133194 950944896 /nfs/dbraw/zinc/94/48/96/950944896.db2.gz PDTYAZQTBPMTAI-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001331642703 951215520 /nfs/dbraw/zinc/21/55/20/951215520.db2.gz BXJIAQVNGMINHN-CABCVRRESA-N 1 3 324.469 0.600 20 30 DCEDHO C=C[C@@](C)(O)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001274614628 951739241 /nfs/dbraw/zinc/73/92/41/951739241.db2.gz JYNJAAGJNTWJNB-MRXNPFEDSA-N 1 3 309.454 0.800 20 30 DCEDHO COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001333139803 951931762 /nfs/dbraw/zinc/93/17/62/951931762.db2.gz BXRBENHEDIVWGG-UYSNPLJNSA-N 1 3 309.454 0.801 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001336098960 952644353 /nfs/dbraw/zinc/64/43/53/952644353.db2.gz DFSUNEMVDSDQOT-HNNXBMFYSA-N 1 3 322.453 0.481 20 30 DCEDHO C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCN(CC)CC1 ZINC001340396108 953166543 /nfs/dbraw/zinc/16/65/43/953166543.db2.gz YTCSHWGMXDUCMA-GFCCVEGCSA-N 1 3 320.397 0.091 20 30 DCEDHO C=CCn1c(C2=NO[C@@H](CO)C2)nnc1N1CC[NH+](CC)CC1 ZINC001340396108 953166547 /nfs/dbraw/zinc/16/65/47/953166547.db2.gz YTCSHWGMXDUCMA-GFCCVEGCSA-N 1 3 320.397 0.091 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001340658776 953186119 /nfs/dbraw/zinc/18/61/19/953186119.db2.gz KJOORIPEVHGVDE-OAHLLOKOSA-N 1 3 324.469 0.777 20 30 DCEDHO C=CCCC[C@H](N)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342564065 953295996 /nfs/dbraw/zinc/29/59/96/953295996.db2.gz FBBWXHWMOXLMPT-BLLLJJGKSA-N 1 3 303.410 0.667 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001281808807 953372728 /nfs/dbraw/zinc/37/27/28/953372728.db2.gz RSIWXIYCUVKHMB-MRXNPFEDSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001281808807 953372736 /nfs/dbraw/zinc/37/27/36/953372736.db2.gz RSIWXIYCUVKHMB-MRXNPFEDSA-N 1 3 321.465 0.827 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001284178863 954904308 /nfs/dbraw/zinc/90/43/08/954904308.db2.gz JJHDRQKWFYNFHL-HZPDHXFCSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001284336837 955018381 /nfs/dbraw/zinc/01/83/81/955018381.db2.gz WBKSYKWMIMTSHG-KBPBESRZSA-N 1 3 324.469 0.455 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccc(C#N)s1 ZINC001367606350 958166179 /nfs/dbraw/zinc/16/61/79/958166179.db2.gz VXFVJWKAINCVCN-NSHDSACASA-N 1 3 310.423 0.138 20 30 DCEDHO COCC#CCN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491682031 959041843 /nfs/dbraw/zinc/04/18/43/959041843.db2.gz ICLUPRLGIGSBGW-HOTGVXAUSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC[C@H](C)O)CC1 ZINC001491682504 959046289 /nfs/dbraw/zinc/04/62/89/959046289.db2.gz MBZCTSFZLWCIGB-CABCVRRESA-N 1 3 309.454 0.587 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001502573349 1015978450 /nfs/dbraw/zinc/97/84/50/1015978450.db2.gz NFERXSUNWYAXDU-NVXWUHKLSA-N 1 3 307.438 0.437 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001502573349 1015978458 /nfs/dbraw/zinc/97/84/58/1015978458.db2.gz NFERXSUNWYAXDU-NVXWUHKLSA-N 1 3 307.438 0.437 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001507116344 1015999227 /nfs/dbraw/zinc/99/92/27/1015999227.db2.gz FKCBDJHIZCQTGV-ILXRZTDVSA-N 1 3 324.469 0.455 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001507116344 1015999231 /nfs/dbraw/zinc/99/92/31/1015999231.db2.gz FKCBDJHIZCQTGV-ILXRZTDVSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001507163227 1016044248 /nfs/dbraw/zinc/04/42/48/1016044248.db2.gz TWLMONQCFVPHJB-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001507428606 1016322811 /nfs/dbraw/zinc/32/28/11/1016322811.db2.gz SIPAFRSMXWRVJN-NVXWUHKLSA-N 1 3 321.465 0.589 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001480237558 1018348874 /nfs/dbraw/zinc/34/88/74/1018348874.db2.gz CSYSIZZBGZCQIN-CWRNSKLLSA-N 1 3 307.438 0.603 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417541931 334962280 /nfs/dbraw/zinc/96/22/80/334962280.db2.gz SHMWCLHBGSHGSD-UHFFFAOYSA-N 1 3 323.485 0.621 20 30 DCEDHO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000362411904 239101573 /nfs/dbraw/zinc/10/15/73/239101573.db2.gz DESSNDIARFNJSE-HNNXBMFYSA-N 1 3 307.442 0.070 20 30 DCEDHO CNC(NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)=[NH+]C ZINC000108638441 415679355 /nfs/dbraw/zinc/67/93/55/415679355.db2.gz HRAABKQGGQCYNW-OAHLLOKOSA-N 1 3 317.437 0.679 20 30 DCEDHO C=CCN1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000331118018 416267485 /nfs/dbraw/zinc/26/74/85/416267485.db2.gz NCKARETTWQZKFR-UHFFFAOYSA-N 1 3 324.469 0.939 20 30 DCEDHO C=CCN1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000331118018 416267487 /nfs/dbraw/zinc/26/74/87/416267487.db2.gz NCKARETTWQZKFR-UHFFFAOYSA-N 1 3 324.469 0.939 20 30 DCEDHO C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261769850 416335769 /nfs/dbraw/zinc/33/57/69/416335769.db2.gz NWWNTBJMRNYLDC-SWLSCSKDSA-N 1 3 304.442 0.839 20 30 DCEDHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424147854 416618589 /nfs/dbraw/zinc/61/85/89/416618589.db2.gz SLWCEFTWBZZIKG-LSDHHAIUSA-N 1 3 310.442 0.967 20 30 DCEDHO C=CCN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662448728 418410339 /nfs/dbraw/zinc/41/03/39/418410339.db2.gz QXOHQMZPTSDVNH-GFCCVEGCSA-N 1 3 303.410 0.867 20 30 DCEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001568369730 1160637397 /nfs/dbraw/zinc/63/73/97/1160637397.db2.gz VLIUOBKVVACTBI-JKSUJKDBSA-N 1 3 309.454 0.805 20 30 DCEDHO CCCNC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1 ZINC000264127110 528160647 /nfs/dbraw/zinc/16/06/47/528160647.db2.gz WRTSAQNRIWSPKI-UHFFFAOYSA-N 1 3 304.442 0.908 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283762080 529073636 /nfs/dbraw/zinc/07/36/36/529073636.db2.gz HWIZZPPATPNQRD-CQSZACIVSA-N 1 3 308.430 0.418 20 30 DCEDHO C#CCN(C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027611030 660525318 /nfs/dbraw/zinc/52/53/18/660525318.db2.gz PCLLOVIYBSJKLF-INIZCTEOSA-N 1 3 317.437 0.614 20 30 DCEDHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500424 657935635 /nfs/dbraw/zinc/93/56/35/657935635.db2.gz UFGVSOAWMZSXCI-UERKLNTKSA-N 1 3 319.449 0.864 20 30 DCEDHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500424 657935643 /nfs/dbraw/zinc/93/56/43/657935643.db2.gz UFGVSOAWMZSXCI-UERKLNTKSA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000971969491 658107488 /nfs/dbraw/zinc/10/74/88/658107488.db2.gz NWLIPYCFQFYHNG-GWUWNPHMSA-N 1 3 303.406 0.016 20 30 DCEDHO C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000971969491 658107491 /nfs/dbraw/zinc/10/74/91/658107491.db2.gz NWLIPYCFQFYHNG-GWUWNPHMSA-N 1 3 303.406 0.016 20 30 DCEDHO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000985443817 662450698 /nfs/dbraw/zinc/45/06/98/662450698.db2.gz ZEBLTFRFEOCGCX-HOTGVXAUSA-N 1 3 305.422 0.406 20 30 DCEDHO C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000985443817 662450699 /nfs/dbraw/zinc/45/06/99/662450699.db2.gz ZEBLTFRFEOCGCX-HOTGVXAUSA-N 1 3 305.422 0.406 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000712429 665920155 /nfs/dbraw/zinc/92/01/55/665920155.db2.gz BBBWUACCYUNPDM-HOTGVXAUSA-N 1 3 305.422 0.784 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000712429 665920157 /nfs/dbraw/zinc/92/01/57/665920157.db2.gz BBBWUACCYUNPDM-HOTGVXAUSA-N 1 3 305.422 0.784 20 30 DCEDHO C#CCN(C(=O)NCCN(C)CCOC)C1CC[NH+](C)CC1 ZINC000916331388 665066917 /nfs/dbraw/zinc/06/69/17/665066917.db2.gz MTVOCJUKLKYBMV-UHFFFAOYSA-N 1 3 310.442 0.304 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001032207756 666453287 /nfs/dbraw/zinc/45/32/87/666453287.db2.gz ZJCQCGURHXGEQF-OAHLLOKOSA-N 1 3 319.449 0.416 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001034537991 667064232 /nfs/dbraw/zinc/06/42/32/667064232.db2.gz GWLBSTHZEOFZTP-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001034537991 667064236 /nfs/dbraw/zinc/06/42/36/667064236.db2.gz GWLBSTHZEOFZTP-NVXWUHKLSA-N 1 3 321.465 0.683 20 30 DCEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCN(C2CC2)C1 ZINC000884213131 667500678 /nfs/dbraw/zinc/50/06/78/667500678.db2.gz UNRLMODPJKNJPC-SCOKMKKDSA-N 1 3 302.422 0.821 20 30 DCEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cnc3c(c1)CNCC3)C2 ZINC000884243921 667508367 /nfs/dbraw/zinc/50/83/67/667508367.db2.gz SIFVUKGJXUHNOI-UIORMTCPSA-N 1 3 311.389 0.805 20 30 DCEDHO Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2CNC[C@H]2C#N)cc(Cl)n1 ZINC000834484257 671763356 /nfs/dbraw/zinc/76/33/56/671763356.db2.gz GKBOBSUKXSPMQE-IJLUTSLNSA-N 1 3 307.785 0.661 20 30 DCEDHO C[C@@H]1CCCN(C(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000303979171 685209348 /nfs/dbraw/zinc/20/93/48/685209348.db2.gz MUEYEPMZAXIRLA-CABCVRRESA-N 1 3 323.485 0.976 20 30 DCEDHO CC(C)CCNC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000303986779 685209501 /nfs/dbraw/zinc/20/95/01/685209501.db2.gz UWPSMKVZAAUMQP-AWEZNQCLSA-N 1 3 311.474 0.880 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCOCC1 ZINC000304784889 685212209 /nfs/dbraw/zinc/21/22/09/685212209.db2.gz HTHHEPDJJCQMKO-CQSZACIVSA-N 1 3 312.458 0.961 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000962781432 688978977 /nfs/dbraw/zinc/97/89/77/688978977.db2.gz TWZBPAUXPNTUHU-SIXLDLHFSA-N 1 3 319.449 0.413 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000962781432 688978980 /nfs/dbraw/zinc/97/89/80/688978980.db2.gz TWZBPAUXPNTUHU-SIXLDLHFSA-N 1 3 319.449 0.413 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001016330904 692654473 /nfs/dbraw/zinc/65/44/73/692654473.db2.gz HRMIXQKKJMVJOH-GDBMZVCRSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001016330904 692654476 /nfs/dbraw/zinc/65/44/76/692654476.db2.gz HRMIXQKKJMVJOH-GDBMZVCRSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001571549064 1162804484 /nfs/dbraw/zinc/80/44/84/1162804484.db2.gz XBVGXMPWCNZGJA-CABCVRRESA-N 1 3 318.421 0.785 20 30 DCEDHO CC(C)(C#N)C[C@H](O)CNCC(=O)NCC[NH+]1CCCCCC1 ZINC001646522415 1172413431 /nfs/dbraw/zinc/41/34/31/1172413431.db2.gz OWSYJPFWUCNASF-HNNXBMFYSA-N 1 3 324.469 0.869 20 30 DCEDHO N#C[C@@H]1CNCC12CC(C(=O)N1CC[C@]3(C1)CCCC[NH2+]3)C2 ZINC001650405097 1173624092 /nfs/dbraw/zinc/62/40/92/1173624092.db2.gz BNRJWCAWBDQGFG-CPBWPMLKSA-N 1 3 302.422 0.870 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001664036130 1174387182 /nfs/dbraw/zinc/38/71/82/1174387182.db2.gz CQZRBCCPHNAANQ-MRXNPFEDSA-N 1 3 309.454 0.805 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001664036130 1174387188 /nfs/dbraw/zinc/38/71/88/1174387188.db2.gz CQZRBCCPHNAANQ-MRXNPFEDSA-N 1 3 309.454 0.805 20 30 DCEDHO COCC#CCNC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668829010 1174846084 /nfs/dbraw/zinc/84/60/84/1174846084.db2.gz VNSOHOAOHJZJJV-KZSQQDEKSA-N 1 3 305.422 0.240 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001676651085 1175473540 /nfs/dbraw/zinc/47/35/40/1175473540.db2.gz SHUVLDYPQZZFIF-GDBMZVCRSA-N 1 3 307.438 0.700 20 30 DCEDHO 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ZINC001717255333 1182751591 /nfs/dbraw/zinc/75/15/91/1182751591.db2.gz XALQXFNAXGNIKK-SFHVURJKSA-N 1 3 319.449 0.439 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717255332 1182751898 /nfs/dbraw/zinc/75/18/98/1182751898.db2.gz XALQXFNAXGNIKK-GOSISDBHSA-N 1 3 319.449 0.439 20 30 DCEDHO C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717353461 1182797177 /nfs/dbraw/zinc/79/71/77/1182797177.db2.gz OKYRIXVCJJPUBQ-HNNXBMFYSA-N 1 3 309.454 0.847 20 30 DCEDHO C=C(C)CN1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717353461 1182797183 /nfs/dbraw/zinc/79/71/83/1182797183.db2.gz OKYRIXVCJJPUBQ-HNNXBMFYSA-N 1 3 309.454 0.847 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001723878304 1184357798 /nfs/dbraw/zinc/35/77/98/1184357798.db2.gz ZJCSUBMSVCHJBT-GJZGRUSLSA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCC[NH2+]C1CCN(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001724632142 1184483054 /nfs/dbraw/zinc/48/30/54/1184483054.db2.gz QMUIQIUKJYXCSS-UHFFFAOYSA-N 1 3 317.437 0.454 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001724740371 1184540976 /nfs/dbraw/zinc/54/09/76/1184540976.db2.gz VSJXUZWGAFZLAB-OAHLLOKOSA-N 1 3 322.453 0.213 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC=C)CC1 ZINC001725724133 1184975857 /nfs/dbraw/zinc/97/58/57/1184975857.db2.gz NIJIINRIKDYXOS-INIZCTEOSA-N 1 3 307.438 0.269 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC=C)CC1 ZINC001725724133 1184975860 /nfs/dbraw/zinc/97/58/60/1184975860.db2.gz NIJIINRIKDYXOS-INIZCTEOSA-N 1 3 307.438 0.269 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](CC)OC)C2)CC1 ZINC001731460405 1185342704 /nfs/dbraw/zinc/34/27/04/1185342704.db2.gz BWFXAKVUJKAFMK-ULQDDVLXSA-N 1 3 321.465 0.993 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001731517999 1185371861 /nfs/dbraw/zinc/37/18/61/1185371861.db2.gz GVRLEHXEYDLSIQ-INIZCTEOSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)C1=O ZINC001752921485 1188462165 /nfs/dbraw/zinc/46/21/65/1188462165.db2.gz SKYWHRNETBIVAB-UONOGXRCSA-N 1 3 310.442 0.208 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](CC)OC)CC1 ZINC001754296402 1188812041 /nfs/dbraw/zinc/81/20/41/1188812041.db2.gz KTIXGLUYBDFSQM-GOEBONIOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCC[NH2+]C1CCN(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001754849277 1188947869 /nfs/dbraw/zinc/94/78/69/1188947869.db2.gz NLQPHDQUOLUBQY-UHFFFAOYSA-N 1 3 320.481 0.664 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247826 747422250 /nfs/dbraw/zinc/42/22/50/747422250.db2.gz GMJHAMBZRJWKQI-HRCADAONSA-N 1 3 307.438 0.816 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083247826 747422254 /nfs/dbraw/zinc/42/22/54/747422254.db2.gz GMJHAMBZRJWKQI-HRCADAONSA-N 1 3 307.438 0.816 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)[C@@H]2CC)CC1 ZINC001087840006 749078075 /nfs/dbraw/zinc/07/80/75/749078075.db2.gz CVCBEYFFSJZLFT-HYVNUMGLSA-N 1 3 321.465 0.682 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)[C@@H]2CC)CC1 ZINC001087840006 749078082 /nfs/dbraw/zinc/07/80/82/749078082.db2.gz CVCBEYFFSJZLFT-HYVNUMGLSA-N 1 3 321.465 0.682 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524809 750096980 /nfs/dbraw/zinc/09/69/80/750096980.db2.gz KZSGWHDLIGMWMF-OAGGEKHMSA-N 1 3 309.454 0.987 20 30 DCEDHO C=CCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524809 750096988 /nfs/dbraw/zinc/09/69/88/750096988.db2.gz KZSGWHDLIGMWMF-OAGGEKHMSA-N 1 3 309.454 0.987 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H]2C)CC1 ZINC001089059491 750781636 /nfs/dbraw/zinc/78/16/36/750781636.db2.gz OKWDSQALXAHSKO-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H]2C)CC1 ZINC001089059491 750781640 /nfs/dbraw/zinc/78/16/40/750781640.db2.gz OKWDSQALXAHSKO-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001045444410 753196754 /nfs/dbraw/zinc/19/67/54/753196754.db2.gz MUXPEXFWYNGVMV-HOTGVXAUSA-N 1 3 319.449 0.844 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957033 755884981 /nfs/dbraw/zinc/88/49/81/755884981.db2.gz CJBFVOUOIGDHRA-WBVHZDCISA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957033 755884985 /nfs/dbraw/zinc/88/49/85/755884985.db2.gz CJBFVOUOIGDHRA-WBVHZDCISA-N 1 3 321.465 0.683 20 30 DCEDHO N#CCCN(Cc1cccnc1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001157730917 762636090 /nfs/dbraw/zinc/63/60/90/762636090.db2.gz ULPHAXOPHUOXQP-ZDUSSCGKSA-N 1 3 307.423 0.343 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098391309 759208797 /nfs/dbraw/zinc/20/87/97/759208797.db2.gz AHHZHYAPANHAKI-QGZVFWFLSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001098391309 759208804 /nfs/dbraw/zinc/20/88/04/759208804.db2.gz AHHZHYAPANHAKI-QGZVFWFLSA-N 1 3 321.465 0.635 20 30 DCEDHO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001098408407 759731879 /nfs/dbraw/zinc/73/18/79/759731879.db2.gz TXYKYXSBJRTDSC-MRXNPFEDSA-N 1 3 307.438 0.389 20 30 DCEDHO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001098408407 759731886 /nfs/dbraw/zinc/73/18/86/759731886.db2.gz TXYKYXSBJRTDSC-MRXNPFEDSA-N 1 3 307.438 0.389 20 30 DCEDHO N#Cc1ccc(CNCCNC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001147970310 767889534 /nfs/dbraw/zinc/88/95/34/767889534.db2.gz GYNJNMALPPWOCB-UHFFFAOYSA-N 1 3 316.380 0.999 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209211 761136636 /nfs/dbraw/zinc/13/66/36/761136636.db2.gz ROCYTKJLGJKIRN-ILXRZTDVSA-N 1 3 318.425 0.146 20 30 DCEDHO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099874180 763092645 /nfs/dbraw/zinc/09/26/45/763092645.db2.gz HFAGOQRYVDDPMW-CABCVRRESA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099874180 763092656 /nfs/dbraw/zinc/09/26/56/763092656.db2.gz HFAGOQRYVDDPMW-CABCVRRESA-N 1 3 309.454 0.988 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086997249 768113217 /nfs/dbraw/zinc/11/32/17/768113217.db2.gz UEZOUVAQNCPIBI-XHSDSOJGSA-N 1 3 319.453 0.830 20 30 DCEDHO COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001100319524 763486411 /nfs/dbraw/zinc/48/64/11/763486411.db2.gz QBYLCQYUNJRJKI-OFLPRAFFSA-N 1 3 321.465 0.993 20 30 DCEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001100523038 763632658 /nfs/dbraw/zinc/63/26/58/763632658.db2.gz SHOCUAFLCCEGFH-QFQXCOSMSA-N 1 3 317.433 0.357 20 30 DCEDHO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519263 763842694 /nfs/dbraw/zinc/84/26/94/763842694.db2.gz BVECTRALDZDOCU-GJEMEMOUSA-N 1 3 307.438 0.910 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]CCCO)C2)CC1 ZINC001101025025 763924945 /nfs/dbraw/zinc/92/49/45/763924945.db2.gz RSVHHRVBTRLJRS-UHFFFAOYSA-N 1 3 307.438 0.198 20 30 DCEDHO COCC#CCNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815827 764053856 /nfs/dbraw/zinc/05/38/56/764053856.db2.gz VLFSRANOYZYEHV-UHFFFAOYSA-N 1 3 309.454 0.997 20 30 DCEDHO COCC#CCNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815827 764053865 /nfs/dbraw/zinc/05/38/65/764053865.db2.gz VLFSRANOYZYEHV-UHFFFAOYSA-N 1 3 309.454 0.997 20 30 DCEDHO C=CCN1CC[C@@H](NCCNC(=O)[C@@H](CC)[NH+](CC)CC)C1=O ZINC001133690758 765095392 /nfs/dbraw/zinc/09/53/92/765095392.db2.gz VPMVZHQPANYAHD-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833719 765163739 /nfs/dbraw/zinc/16/37/39/765163739.db2.gz DKLGARSSKUDBPF-OAHLLOKOSA-N 1 3 322.453 0.377 20 30 DCEDHO C=CCN(CC=C)C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833719 765163742 /nfs/dbraw/zinc/16/37/42/765163742.db2.gz DKLGARSSKUDBPF-OAHLLOKOSA-N 1 3 322.453 0.377 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845979 765179575 /nfs/dbraw/zinc/17/95/75/765179575.db2.gz QZLYXZPFXVXMNM-OAHLLOKOSA-N 1 3 324.469 0.459 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845979 765179581 /nfs/dbraw/zinc/17/95/81/765179581.db2.gz QZLYXZPFXVXMNM-OAHLLOKOSA-N 1 3 324.469 0.459 20 30 DCEDHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001133865697 765191133 /nfs/dbraw/zinc/19/11/33/765191133.db2.gz FDKPBBNLFPDNKI-XJKSGUPXSA-N 1 3 300.406 0.962 20 30 DCEDHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cccc(C#N)c1 ZINC001133865697 765191137 /nfs/dbraw/zinc/19/11/37/765191137.db2.gz FDKPBBNLFPDNKI-XJKSGUPXSA-N 1 3 300.406 0.962 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001116973155 765940565 /nfs/dbraw/zinc/94/05/65/765940565.db2.gz ZIIUAFXXGVHHAV-AWEZNQCLSA-N 1 3 322.453 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]C[C@H](C)O)C2)CC1 ZINC001091377156 767238093 /nfs/dbraw/zinc/23/80/93/767238093.db2.gz BTIGVMSVTOQYQP-HLIUYOAVSA-N 1 3 307.438 0.197 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146377384 767437043 /nfs/dbraw/zinc/43/70/43/767437043.db2.gz ZYLWGUWPRAALIU-AWEZNQCLSA-N 1 3 324.469 0.503 20 30 DCEDHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNCC#CCOC ZINC001147359579 767724383 /nfs/dbraw/zinc/72/43/83/767724383.db2.gz SSSWSFZHWFQHLM-INIZCTEOSA-N 1 3 309.454 0.997 20 30 DCEDHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNCC#CCOC ZINC001147359579 767724388 /nfs/dbraw/zinc/72/43/88/767724388.db2.gz SSSWSFZHWFQHLM-INIZCTEOSA-N 1 3 309.454 0.997 20 30 DCEDHO C#CCCN1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192307 769033399 /nfs/dbraw/zinc/03/33/99/769033399.db2.gz CVSBZCXABCABEU-HNNXBMFYSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001171873630 769384914 /nfs/dbraw/zinc/38/49/14/769384914.db2.gz SHAYZRIOJFINPT-CTMQZQKCSA-N 1 3 319.449 0.747 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439796 771005879 /nfs/dbraw/zinc/00/58/79/771005879.db2.gz YXFOTXWYIPAMHV-ILXRZTDVSA-N 1 3 324.469 0.598 20 30 DCEDHO N#Cc1ccccc1N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001157474059 771616297 /nfs/dbraw/zinc/61/62/97/771616297.db2.gz KVVOAPFXMQAHFX-CQSZACIVSA-N 1 3 301.394 0.273 20 30 DCEDHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)C1 ZINC001185090451 771859621 /nfs/dbraw/zinc/85/96/21/771859621.db2.gz MBPKRCGSYVKSDA-DLBZAZTESA-N 1 3 321.465 0.949 20 30 DCEDHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)C1 ZINC001185090451 771859625 /nfs/dbraw/zinc/85/96/25/771859625.db2.gz MBPKRCGSYVKSDA-DLBZAZTESA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN(CC)CC)C2)C1=O ZINC001186489224 772045674 /nfs/dbraw/zinc/04/56/74/772045674.db2.gz XZEGLFQABAOFTN-HUUCEWRRSA-N 1 3 322.453 0.306 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276526 772159109 /nfs/dbraw/zinc/15/91/09/772159109.db2.gz MUULBWOBBVAOPI-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187276526 772159111 /nfs/dbraw/zinc/15/91/11/772159111.db2.gz MUULBWOBBVAOPI-LSDHHAIUSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187307146 772172739 /nfs/dbraw/zinc/17/27/39/772172739.db2.gz WPJHJFKOVRXVAJ-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H](N)CCC[NH3+])C2)cc1 ZINC001161325235 772205501 /nfs/dbraw/zinc/20/55/01/772205501.db2.gz YTKAGOHNHUYNDI-HZPDHXFCSA-N 1 3 316.405 0.994 20 30 DCEDHO CC[C@H](C(=O)NCCC1(C[NH2+]CC#CCOC)CC1)N(C)C ZINC001165718261 772757787 /nfs/dbraw/zinc/75/77/87/772757787.db2.gz GIPNEYFWAILPTK-OAHLLOKOSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205345568 772988170 /nfs/dbraw/zinc/98/81/70/772988170.db2.gz RCGMWXHFHVQMAF-IAGOWNOFSA-N 1 3 319.449 0.701 20 30 DCEDHO C=CCOCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401979 773073411 /nfs/dbraw/zinc/07/34/11/773073411.db2.gz IVVLEFMWOWJHAO-UHFFFAOYSA-N 1 3 306.410 0.983 20 30 DCEDHO 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C=CCN[C@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001283802668 954618737 /nfs/dbraw/zinc/61/87/37/954618737.db2.gz BLLVPYMMZMGUAT-BBWFWOEESA-N 1 3 317.433 0.585 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCO)C2)CC1 ZINC001284243565 954956154 /nfs/dbraw/zinc/95/61/54/954956154.db2.gz HMNWOBAEVVIHQK-HOCLYGCPSA-N 1 3 307.438 0.198 20 30 DCEDHO C#CC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001502644085 1016011537 /nfs/dbraw/zinc/01/15/37/1016011537.db2.gz VJDLRAUBQIDWMI-GASCZTMLSA-N 1 3 307.438 0.747 20 30 DCEDHO N#Cc1ccccc1CNC[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001445268976 1011601150 /nfs/dbraw/zinc/60/11/50/1011601150.db2.gz LKDGVXMIAGAMFK-MRXNPFEDSA-N 1 3 316.405 0.221 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001499857820 1018106263 /nfs/dbraw/zinc/10/62/63/1018106263.db2.gz NYZVZRTXHCKXNJ-GJZGRUSLSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CCO)CC1 ZINC001500054609 1018191452 /nfs/dbraw/zinc/19/14/52/1018191452.db2.gz RUJZFJDBNBJJTI-OAHLLOKOSA-N 1 3 307.438 0.247 20 30 DCEDHO C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCN(CCO)CC1 ZINC001500054609 1018191457 /nfs/dbraw/zinc/19/14/57/1018191457.db2.gz RUJZFJDBNBJJTI-OAHLLOKOSA-N 1 3 307.438 0.247 20 30 DCEDHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCC#CCOC ZINC001497766218 1018398668 /nfs/dbraw/zinc/39/86/68/1018398668.db2.gz UKUXVMLGPMZIBF-OGZRUICASA-N 1 3 307.438 0.773 20 30 DCEDHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCC#CCOC ZINC001497766218 1018398672 /nfs/dbraw/zinc/39/86/72/1018398672.db2.gz UKUXVMLGPMZIBF-OGZRUICASA-N 1 3 307.438 0.773 20 30 DCEDHO COCC#CCNC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497953530 1018536490 /nfs/dbraw/zinc/53/64/90/1018536490.db2.gz VUMVXAYTSDQGJO-OAHLLOKOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCOC)C(C)C)CC1 ZINC001496638054 1019473827 /nfs/dbraw/zinc/47/38/27/1019473827.db2.gz ADRQZXLCKBUPEU-MRXNPFEDSA-N 1 3 309.454 0.708 20 30 DCEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2CCC)CCO1 ZINC001502056306 1019667931 /nfs/dbraw/zinc/66/79/31/1019667931.db2.gz URRMCYFNYFZQRL-HOTGVXAUSA-N 1 3 307.438 0.701 20 30 DCEDHO CN(C)CCn1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cn1 ZINC000601015215 396990622 /nfs/dbraw/zinc/99/06/22/396990622.db2.gz HLXSCHPTCYICHM-UHFFFAOYSA-N 1 3 320.441 0.752 20 30 DCEDHO CN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330177010 336120967 /nfs/dbraw/zinc/12/09/67/336120967.db2.gz KIQIRDDCJCVSMO-HZPDHXFCSA-N 1 3 324.469 0.962 20 30 DCEDHO C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001569751044 1161222013 /nfs/dbraw/zinc/22/20/13/1161222013.db2.gz JMHAHJLTDOYGLG-RDJZCZTQSA-N 1 3 309.454 0.990 20 30 DCEDHO COCC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001570200674 1161486331 /nfs/dbraw/zinc/48/63/31/1161486331.db2.gz DFQJLKFJHJWKAO-INIZCTEOSA-N 1 3 309.454 0.901 20 30 DCEDHO COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001570200674 1161486338 /nfs/dbraw/zinc/48/63/38/1161486338.db2.gz DFQJLKFJHJWKAO-INIZCTEOSA-N 1 3 309.454 0.901 20 30 DCEDHO C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000262264720 526345348 /nfs/dbraw/zinc/34/53/48/526345348.db2.gz FQFASOIARQBQKJ-UKRRQHHQSA-N 1 3 321.469 0.599 20 30 DCEDHO C=CCN(CC=C)[C@H](CNC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000638070324 546337078 /nfs/dbraw/zinc/33/70/78/546337078.db2.gz YNGQZIMIUVZYOL-MRXNPFEDSA-N 1 3 308.470 0.706 20 30 DCEDHO C#CCN(C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027634709 660559733 /nfs/dbraw/zinc/55/97/33/660559733.db2.gz OAUXBCFTLRRJJI-HNNXBMFYSA-N 1 3 307.438 0.653 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774873 659613194 /nfs/dbraw/zinc/61/31/94/659613194.db2.gz LTFOEGIEURRRLP-GJZGRUSLSA-N 1 3 320.437 0.060 20 30 DCEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001027498516 659627490 /nfs/dbraw/zinc/62/74/90/659627490.db2.gz HMHMFKAGGZHLFN-BNQMIIOLSA-N 1 3 317.433 0.406 20 30 DCEDHO C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001027498516 659627491 /nfs/dbraw/zinc/62/74/91/659627491.db2.gz HMHMFKAGGZHLFN-BNQMIIOLSA-N 1 3 317.433 0.406 20 30 DCEDHO CC#CCN1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547529 661603498 /nfs/dbraw/zinc/60/34/98/661603498.db2.gz XLGLPIRPCHIUBJ-OAHLLOKOSA-N 1 3 317.437 0.520 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003002 661930031 /nfs/dbraw/zinc/93/00/31/661930031.db2.gz GMFXIHMFXIFZLO-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003002 661930032 /nfs/dbraw/zinc/93/00/32/661930032.db2.gz GMFXIHMFXIFZLO-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCC[NH2+]C[C@@H](NC(=O)C1CCN(CC#C)CC1)C1CC1 ZINC001670557163 1157461772 /nfs/dbraw/zinc/46/17/72/1157461772.db2.gz RYTJNYYIFVSEKF-QGZVFWFLSA-N 1 3 301.434 0.839 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCO)CC3)CC1 ZINC000992513157 664730536 /nfs/dbraw/zinc/73/05/36/664730536.db2.gz VPXBUQMQMBUEKV-FUHWJXTLSA-N 1 3 319.449 0.437 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)CC1 ZINC000992513157 664730537 /nfs/dbraw/zinc/73/05/37/664730537.db2.gz VPXBUQMQMBUEKV-FUHWJXTLSA-N 1 3 319.449 0.437 20 30 DCEDHO C#CCN(C(=O)NCCOCC[NH+](C)C)C1CCN(C)CC1 ZINC000922145825 666266801 /nfs/dbraw/zinc/26/68/01/666266801.db2.gz WVCRYDMOKHCTDT-UHFFFAOYSA-N 1 3 310.442 0.304 20 30 DCEDHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](N)CCCC#N ZINC000877133058 668565487 /nfs/dbraw/zinc/56/54/87/668565487.db2.gz VFYIDKWTKLUARI-OAHLLOKOSA-N 1 3 310.442 0.824 20 30 DCEDHO N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(CC[NH3+])cc1)C2 ZINC000884020786 669813025 /nfs/dbraw/zinc/81/30/25/669813025.db2.gz JPEUOABGWABITK-PQUAAJSLSA-N 1 3 312.417 0.943 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069315 670053469 /nfs/dbraw/zinc/05/34/69/670053469.db2.gz FTVCLKOVECHDJY-RDJZCZTQSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069315 670053472 /nfs/dbraw/zinc/05/34/72/670053472.db2.gz FTVCLKOVECHDJY-RDJZCZTQSA-N 1 3 321.465 0.947 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303769876 685206386 /nfs/dbraw/zinc/20/63/86/685206386.db2.gz BHLKPNFACCEYFW-GJZGRUSLSA-N 1 3 312.458 0.961 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000305888585 685217833 /nfs/dbraw/zinc/21/78/33/685217833.db2.gz ZRYBMKUNJRFYIX-TZMCWYRMSA-N 1 3 307.442 0.386 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC000958725173 687877383 /nfs/dbraw/zinc/87/73/83/687877383.db2.gz WHMRZNWDAFFPRY-IAGOWNOFSA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCC=C)C[C@H]2O)CC1 ZINC000958725173 687877389 /nfs/dbraw/zinc/87/73/89/687877389.db2.gz WHMRZNWDAFFPRY-IAGOWNOFSA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724588 687878336 /nfs/dbraw/zinc/87/83/36/687878336.db2.gz QMQMDYXJNNMNSC-IAGOWNOFSA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724588 687878345 /nfs/dbraw/zinc/87/83/45/687878345.db2.gz QMQMDYXJNNMNSC-IAGOWNOFSA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001571405946 1162734388 /nfs/dbraw/zinc/73/43/88/1162734388.db2.gz QZRJDPPSTWMGSQ-CQSZACIVSA-N 1 3 324.469 0.150 20 30 DCEDHO CC#CCNC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001649458407 1157430794 /nfs/dbraw/zinc/43/07/94/1157430794.db2.gz MSTMGZYCVXFAQH-MRXNPFEDSA-N 1 3 307.438 0.559 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1OCC ZINC001565952170 1159930541 /nfs/dbraw/zinc/93/05/41/1159930541.db2.gz MHIDOZFORXKRJN-BRWVUGGUSA-N 1 3 321.465 0.805 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566772430 1160148764 /nfs/dbraw/zinc/14/87/64/1160148764.db2.gz QMESBCRXMJOZLJ-DZGCQCFKSA-N 1 3 310.442 0.065 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCC#Cc1ccccc1 ZINC001568578367 1160691650 /nfs/dbraw/zinc/69/16/50/1160691650.db2.gz SIRHSMOXMSXQNM-INIZCTEOSA-N 1 3 303.406 0.057 20 30 DCEDHO C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001569751044 1161222008 /nfs/dbraw/zinc/22/20/08/1161222008.db2.gz JMHAHJLTDOYGLG-RDJZCZTQSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001570295492 1161550046 /nfs/dbraw/zinc/55/00/46/1161550046.db2.gz IQIWBQZNTFGKLD-WMZOPIPTSA-N 1 3 321.465 0.827 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001580047038 1165486351 /nfs/dbraw/zinc/48/63/51/1165486351.db2.gz BRVMRCWSPKUICJ-HNNXBMFYSA-N 1 3 308.426 0.721 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC001580047038 1165486354 /nfs/dbraw/zinc/48/63/54/1165486354.db2.gz BRVMRCWSPKUICJ-HNNXBMFYSA-N 1 3 308.426 0.721 20 30 DCEDHO N#C[C@@H]1CNCC12CC(C(=O)N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001647375589 1172850415 /nfs/dbraw/zinc/85/04/15/1172850415.db2.gz XGTSQOOAYWQYPN-IQXANGCESA-N 1 3 302.422 0.917 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001661690724 1174146611 /nfs/dbraw/zinc/14/66/11/1174146611.db2.gz UUSJJAXAWSGRLJ-MELADBBJSA-N 1 3 310.442 0.254 20 30 DCEDHO C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662685173 1174231889 /nfs/dbraw/zinc/23/18/89/1174231889.db2.gz DAFUIOGLXKIRBG-HOTGVXAUSA-N 1 3 309.454 0.969 20 30 DCEDHO C=CCCN1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001664781246 1174458341 /nfs/dbraw/zinc/45/83/41/1174458341.db2.gz FJFRCKYZBCBWKN-UHFFFAOYSA-N 1 3 320.481 0.734 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674319494 1175269726 /nfs/dbraw/zinc/26/97/26/1175269726.db2.gz NATHWZGOIGHJKU-UHFFFAOYSA-N 1 3 307.438 0.295 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001676651086 1175473393 /nfs/dbraw/zinc/47/33/93/1175473393.db2.gz SHUVLDYPQZZFIF-GOEBONIOSA-N 1 3 307.438 0.700 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690436328 1177242213 /nfs/dbraw/zinc/24/22/13/1177242213.db2.gz MDBQYEGABFPKSL-MRXNPFEDSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691924903 1177384537 /nfs/dbraw/zinc/38/45/37/1177384537.db2.gz MVVHDINLPCSNJY-HUUCEWRRSA-N 1 3 322.453 0.069 20 30 DCEDHO C=CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691924903 1177384545 /nfs/dbraw/zinc/38/45/45/1177384545.db2.gz MVVHDINLPCSNJY-HUUCEWRRSA-N 1 3 322.453 0.069 20 30 DCEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001699033843 1177781138 /nfs/dbraw/zinc/78/11/38/1177781138.db2.gz GMWQYXRTLFOVPR-HZPDHXFCSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001700753037 1178730955 /nfs/dbraw/zinc/73/09/55/1178730955.db2.gz SIGSJDNTJOCSSU-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001700753037 1178730957 /nfs/dbraw/zinc/73/09/57/1178730957.db2.gz SIGSJDNTJOCSSU-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001713685156 1181014544 /nfs/dbraw/zinc/01/45/44/1181014544.db2.gz YIUYYNLLIDIEDI-INIZCTEOSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001714719150 1181502722 /nfs/dbraw/zinc/50/27/22/1181502722.db2.gz ZSDHYVZXEGOURH-ZDUSSCGKSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CCCOC)C2)CC1 ZINC001714982796 1181626000 /nfs/dbraw/zinc/62/60/00/1181626000.db2.gz USZJDIFCSUBAJG-UHFFFAOYSA-N 1 3 307.438 0.416 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)CC1 ZINC001715128174 1181696655 /nfs/dbraw/zinc/69/66/55/1181696655.db2.gz WCHODCTWYNHWET-GOSISDBHSA-N 1 3 321.465 0.589 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001716061705 1182169134 /nfs/dbraw/zinc/16/91/34/1182169134.db2.gz AMYQZQKIBUNATJ-NVXWUHKLSA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001716061707 1182169506 /nfs/dbraw/zinc/16/95/06/1182169506.db2.gz AMYQZQKIBUNATJ-WBVHZDCISA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CCNC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716454748 1182395375 /nfs/dbraw/zinc/39/53/75/1182395375.db2.gz IHWUONBNYZJTQI-JKSUJKDBSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC001716454748 1182395384 /nfs/dbraw/zinc/39/53/84/1182395384.db2.gz IHWUONBNYZJTQI-JKSUJKDBSA-N 1 3 309.454 0.995 20 30 DCEDHO C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001717253901 1182751789 /nfs/dbraw/zinc/75/17/89/1182751789.db2.gz IJBRSBBDOLXDAO-MRXNPFEDSA-N 1 3 309.454 0.990 20 30 DCEDHO COCC#CCN[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731603081 1185408137 /nfs/dbraw/zinc/40/81/37/1185408137.db2.gz YJIRICFAJKQPOT-HNNXBMFYSA-N 1 3 307.438 0.607 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001732455093 1185824561 /nfs/dbraw/zinc/82/45/61/1185824561.db2.gz SOCPMUQMRHWLHC-KBPBESRZSA-N 1 3 310.442 0.209 20 30 DCEDHO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001733334190 1186231088 /nfs/dbraw/zinc/23/10/88/1186231088.db2.gz QNDPDFUHFRCTKI-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C=CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001752462969 1188424600 /nfs/dbraw/zinc/42/46/00/1188424600.db2.gz JCUNGKLUGFOEDO-BPLDGKMQSA-N 1 3 322.453 0.113 20 30 DCEDHO C=CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001752462969 1188424602 /nfs/dbraw/zinc/42/46/02/1188424602.db2.gz JCUNGKLUGFOEDO-BPLDGKMQSA-N 1 3 322.453 0.113 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754620746 1188891635 /nfs/dbraw/zinc/89/16/35/1188891635.db2.gz ZFVJXCZLAQNLMU-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001754620746 1188891638 /nfs/dbraw/zinc/89/16/38/1188891638.db2.gz ZFVJXCZLAQNLMU-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCC[NH+]1CCC(CO)(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001755182103 1189050119 /nfs/dbraw/zinc/05/01/19/1189050119.db2.gz HHQKDOQKTSFHTD-HOTGVXAUSA-N 1 3 321.465 0.826 20 30 DCEDHO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062994 753457675 /nfs/dbraw/zinc/45/76/75/753457675.db2.gz KEQVIEOQIREKHB-HOTGVXAUSA-N 1 3 308.470 0.731 20 30 DCEDHO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062994 753457681 /nfs/dbraw/zinc/45/76/81/753457681.db2.gz KEQVIEOQIREKHB-HOTGVXAUSA-N 1 3 308.470 0.731 20 30 DCEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075855 753468223 /nfs/dbraw/zinc/46/82/23/753468223.db2.gz GVOFSQATQCCXSO-DLBZAZTESA-N 1 3 318.465 0.180 20 30 DCEDHO C#CCN1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075855 753468224 /nfs/dbraw/zinc/46/82/24/753468224.db2.gz GVOFSQATQCCXSO-DLBZAZTESA-N 1 3 318.465 0.180 20 30 DCEDHO CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001098480216 762679556 /nfs/dbraw/zinc/67/95/56/762679556.db2.gz VEJWJEHJSPBERB-INIZCTEOSA-N 1 3 309.454 0.635 20 30 DCEDHO CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001098480216 762679563 /nfs/dbraw/zinc/67/95/63/762679563.db2.gz VEJWJEHJSPBERB-INIZCTEOSA-N 1 3 309.454 0.635 20 30 DCEDHO C=CC[N@@H+](CCO)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001098391887 759218525 /nfs/dbraw/zinc/21/85/25/759218525.db2.gz JFCQYJXKCRKQAM-UHFFFAOYSA-N 1 3 309.454 0.942 20 30 DCEDHO C=CC[N@H+](CCO)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001098391887 759218528 /nfs/dbraw/zinc/21/85/28/759218528.db2.gz JFCQYJXKCRKQAM-UHFFFAOYSA-N 1 3 309.454 0.942 20 30 DCEDHO C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001098399351 759574682 /nfs/dbraw/zinc/57/46/82/759574682.db2.gz LAFSSSAKIHGBPA-INIZCTEOSA-N 1 3 309.454 0.491 20 30 DCEDHO C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001098399351 759574690 /nfs/dbraw/zinc/57/46/90/759574690.db2.gz LAFSSSAKIHGBPA-INIZCTEOSA-N 1 3 309.454 0.491 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070274213 761160153 /nfs/dbraw/zinc/16/01/53/761160153.db2.gz XHZUMFLACDHJDG-KFWWJZLASA-N 1 3 318.425 0.290 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436030 762942358 /nfs/dbraw/zinc/94/23/58/762942358.db2.gz LKYGXEGHMAXXHF-INIZCTEOSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCCN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115671 763327589 /nfs/dbraw/zinc/32/75/89/763327589.db2.gz BHURPBIZSDIERS-DLBZAZTESA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001100523035 763632548 /nfs/dbraw/zinc/63/25/48/763632548.db2.gz SHOCUAFLCCEGFH-KUNBBXKYSA-N 1 3 317.433 0.357 20 30 DCEDHO C=CCNC(=O)CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815568 764051928 /nfs/dbraw/zinc/05/19/28/764051928.db2.gz JHNZSIWYDJGHIZ-UHFFFAOYSA-N 1 3 324.469 0.649 20 30 DCEDHO C=CCNC(=O)CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815568 764051936 /nfs/dbraw/zinc/05/19/36/764051936.db2.gz JHNZSIWYDJGHIZ-UHFFFAOYSA-N 1 3 324.469 0.649 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001098477802 764143143 /nfs/dbraw/zinc/14/31/43/764143143.db2.gz KLPUTVIIHWCUHH-INIZCTEOSA-N 1 3 321.465 0.637 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001098477802 764143146 /nfs/dbraw/zinc/14/31/46/764143146.db2.gz KLPUTVIIHWCUHH-INIZCTEOSA-N 1 3 321.465 0.637 20 30 DCEDHO C=CCN1CC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132283752 764351777 /nfs/dbraw/zinc/35/17/77/764351777.db2.gz HKZJKWUHOSUIHL-AWEZNQCLSA-N 1 3 322.453 0.354 20 30 DCEDHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001133870882 765200433 /nfs/dbraw/zinc/20/04/33/765200433.db2.gz WNNHUWIYRUUDOX-XJKSGUPXSA-N 1 3 300.406 0.962 20 30 DCEDHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccc(C#N)cc1 ZINC001133870882 765200434 /nfs/dbraw/zinc/20/04/34/765200434.db2.gz WNNHUWIYRUUDOX-XJKSGUPXSA-N 1 3 300.406 0.962 20 30 DCEDHO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866660 768316997 /nfs/dbraw/zinc/31/69/97/768316997.db2.gz IINHFYDCAZPXHS-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOC)CC1 ZINC001146612077 767488306 /nfs/dbraw/zinc/48/83/06/767488306.db2.gz PKJKXRZLJHHEPG-CABCVRRESA-N 1 3 309.454 0.851 20 30 DCEDHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2)N(C)C ZINC001121799053 767637188 /nfs/dbraw/zinc/63/71/88/767637188.db2.gz ZLDDBVXTIFHQLT-HVEGKCCWSA-N 1 3 321.465 0.993 20 30 DCEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001171873631 769384801 /nfs/dbraw/zinc/38/48/01/769384801.db2.gz SHAYZRIOJFINPT-JBCIKUTRSA-N 1 3 319.449 0.747 20 30 DCEDHO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176285733 770061388 /nfs/dbraw/zinc/06/13/88/770061388.db2.gz QAWBFUJCALKBIJ-OAHLLOKOSA-N 1 3 324.469 0.342 20 30 DCEDHO C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872435 772427418 /nfs/dbraw/zinc/42/74/18/772427418.db2.gz RRCCUWZWHQAIHR-JVWICGRDSA-N 1 3 313.829 0.698 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163820944 772577340 /nfs/dbraw/zinc/57/73/40/772577340.db2.gz JUVUEBSRMJJKGG-CQSZACIVSA-N 1 3 322.453 0.259 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCOC)C2)CC1 ZINC001194247628 773168168 /nfs/dbraw/zinc/16/81/68/773168168.db2.gz YQCUISISNQKCCS-MRXNPFEDSA-N 1 3 307.438 0.511 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCOC)C2)CC1 ZINC001194247628 773168169 /nfs/dbraw/zinc/16/81/69/773168169.db2.gz YQCUISISNQKCCS-MRXNPFEDSA-N 1 3 307.438 0.511 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334975 773435755 /nfs/dbraw/zinc/43/57/55/773435755.db2.gz PBUKTIYLWZQITF-JKSUJKDBSA-N 1 3 307.438 0.557 20 30 DCEDHO C=CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208372794 773445303 /nfs/dbraw/zinc/44/53/03/773445303.db2.gz CPFINWUVBAMURT-HOCLYGCPSA-N 1 3 324.469 0.455 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211284265 773789855 /nfs/dbraw/zinc/78/98/55/773789855.db2.gz KGYUPLGFOSOKLY-GJZGRUSLSA-N 1 3 324.469 0.598 20 30 DCEDHO COc1ccc(C#N)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218979312 774340443 /nfs/dbraw/zinc/34/04/43/774340443.db2.gz KUEHYEBGFIGDFY-MLGOLLRUSA-N 1 3 300.362 0.704 20 30 DCEDHO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)CN(CC)CC)CCCO1 ZINC001200626784 774379043 /nfs/dbraw/zinc/37/90/43/774379043.db2.gz BXCYLUDXEAMTRT-GJZGRUSLSA-N 1 3 313.417 0.507 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140656 774606002 /nfs/dbraw/zinc/60/60/02/774606002.db2.gz DDRLCVBPUPECTD-MRXNPFEDSA-N 1 3 307.438 0.703 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496013 774724510 /nfs/dbraw/zinc/72/45/10/774724510.db2.gz MJSCQTDRCXHKCB-CQSZACIVSA-N 1 3 322.453 0.354 20 30 DCEDHO COC(=O)n1ncc(C#N)c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220415761 774801707 /nfs/dbraw/zinc/80/17/07/774801707.db2.gz VYLZDFFYSXHENG-NSHDSACASA-N 1 3 322.369 0.367 20 30 DCEDHO C=CCCCCC[C@H](N)C(=O)NCCOCCOCC[NH3+] ZINC001220519349 774832754 /nfs/dbraw/zinc/83/27/54/774832754.db2.gz KYSOTIZDJGZUNU-AWEZNQCLSA-N 1 3 301.431 0.558 20 30 DCEDHO N#Cc1cccc2c1CC[C@H]2NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220596693 774859293 /nfs/dbraw/zinc/85/92/93/774859293.db2.gz FUVMDJOLSVBPIE-MZMPZRCHSA-N 1 3 310.401 0.861 20 30 DCEDHO C#CCCN1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266272018 939038414 /nfs/dbraw/zinc/03/84/14/939038414.db2.gz VILQNOBGOURMCN-UHFFFAOYSA-N 1 3 320.481 0.475 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001352849790 939535052 /nfs/dbraw/zinc/53/50/52/939535052.db2.gz MHGLVGXKEBYKSX-VWYCJHECSA-N 1 3 306.332 0.993 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCO)CC(C)C)CC1 ZINC001496302047 939583310 /nfs/dbraw/zinc/58/33/10/939583310.db2.gz VZMOFSDLHJNGLS-MRXNPFEDSA-N 1 3 309.454 0.444 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001481247691 939669880 /nfs/dbraw/zinc/66/98/80/939669880.db2.gz SZCFXBFMJWGAQI-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CC#CCOC ZINC001267805598 939686277 /nfs/dbraw/zinc/68/62/77/939686277.db2.gz QZBSOOVHMKPMHV-HOTGVXAUSA-N 1 3 309.454 0.993 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001481461802 939875606 /nfs/dbraw/zinc/87/56/06/939875606.db2.gz IXOMVWBTCWZCCQ-JKSUJKDBSA-N 1 3 321.465 0.541 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001481461802 939875611 /nfs/dbraw/zinc/87/56/11/939875611.db2.gz IXOMVWBTCWZCCQ-JKSUJKDBSA-N 1 3 321.465 0.541 20 30 DCEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)CN(CC)CC ZINC001245998973 945309828 /nfs/dbraw/zinc/30/98/28/945309828.db2.gz IBEXETMKHPMRTM-CABCVRRESA-N 1 3 315.458 0.506 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCO)CC1 ZINC001482697280 941625572 /nfs/dbraw/zinc/62/55/72/941625572.db2.gz LITGIHVUGRZGFK-SJORKVTESA-N 1 3 321.465 0.589 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001272565808 942828386 /nfs/dbraw/zinc/82/83/86/942828386.db2.gz OZUDRIZOPKIGNR-IAGOWNOFSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC#C)C3)CC1 ZINC001047209448 942912889 /nfs/dbraw/zinc/91/28/89/942912889.db2.gz WCLUEANVWOFYRO-SZMVWBNQSA-N 1 3 313.445 0.934 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC#C)C3)CC1 ZINC001047209448 942912892 /nfs/dbraw/zinc/91/28/92/942912892.db2.gz WCLUEANVWOFYRO-SZMVWBNQSA-N 1 3 313.445 0.934 20 30 DCEDHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483985272 943071570 /nfs/dbraw/zinc/07/15/70/943071570.db2.gz QPGJRRDNLIWPAE-OAHLLOKOSA-N 1 3 321.465 0.778 20 30 DCEDHO C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001484619452 943480233 /nfs/dbraw/zinc/48/02/33/943480233.db2.gz YHXDBZFNUUTTPY-OAHLLOKOSA-N 1 3 322.453 0.048 20 30 DCEDHO C#CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001484619452 943480235 /nfs/dbraw/zinc/48/02/35/943480235.db2.gz YHXDBZFNUUTTPY-OAHLLOKOSA-N 1 3 322.453 0.048 20 30 DCEDHO COCC#CCN(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484758815 943561174 /nfs/dbraw/zinc/56/11/74/943561174.db2.gz LNKJDLIOMUPGPW-MRXNPFEDSA-N 1 3 309.454 0.758 20 30 DCEDHO COCC#CCN(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001484758815 943561177 /nfs/dbraw/zinc/56/11/77/943561177.db2.gz LNKJDLIOMUPGPW-MRXNPFEDSA-N 1 3 309.454 0.758 20 30 DCEDHO C#CCN1CC[NH+](CCCCCNC(=O)[C@H]2CCCN2C)CC1 ZINC001485010180 943652382 /nfs/dbraw/zinc/65/23/82/943652382.db2.gz UWAFGJYTQQWFRZ-QGZVFWFLSA-N 1 3 320.481 0.618 20 30 DCEDHO C=CCOCCN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580280 944013814 /nfs/dbraw/zinc/01/38/14/944013814.db2.gz FMKYWOJTWYIVRY-GJZGRUSLSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCOCCN1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485580280 944013823 /nfs/dbraw/zinc/01/38/23/944013823.db2.gz FMKYWOJTWYIVRY-GJZGRUSLSA-N 1 3 309.454 0.967 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001486133477 944587716 /nfs/dbraw/zinc/58/77/16/944587716.db2.gz COCKVOPZNQHBRL-ZIAGYGMSSA-N 1 3 310.442 0.208 20 30 DCEDHO C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001486244870 944667779 /nfs/dbraw/zinc/66/77/79/944667779.db2.gz OYESNEKIBYXLFV-AWEZNQCLSA-N 1 3 306.410 0.981 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001317113410 944803142 /nfs/dbraw/zinc/80/31/42/944803142.db2.gz OAXJSTFACLNJAA-MCIONIFRSA-N 1 3 322.453 0.398 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317321427 944923110 /nfs/dbraw/zinc/92/31/10/944923110.db2.gz FYUCZNUVIVSQCT-OAHLLOKOSA-N 1 3 307.438 0.559 20 30 DCEDHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC#CCOC)C1CC1)N(C)C ZINC001277663119 944933126 /nfs/dbraw/zinc/93/31/26/944933126.db2.gz SITNBYOXKVNFGK-HZPDHXFCSA-N 1 3 309.454 0.803 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001280626747 947490666 /nfs/dbraw/zinc/49/06/66/947490666.db2.gz ADMCVZRPZKTHBK-JYJNAYRXSA-N 1 3 307.438 0.557 20 30 DCEDHO CC#CCNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001280626747 947490671 /nfs/dbraw/zinc/49/06/71/947490671.db2.gz ADMCVZRPZKTHBK-JYJNAYRXSA-N 1 3 307.438 0.557 20 30 DCEDHO C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001325097589 947649661 /nfs/dbraw/zinc/64/96/61/947649661.db2.gz MKSGZZBRWMRJQO-WBVHZDCISA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001325097589 947649665 /nfs/dbraw/zinc/64/96/65/947649665.db2.gz MKSGZZBRWMRJQO-WBVHZDCISA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCN1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161012 947687891 /nfs/dbraw/zinc/68/78/91/947687891.db2.gz LGNDDHRAVRPXCY-WBVHZDCISA-N 1 3 309.454 0.846 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1OCC ZINC001263966257 948819037 /nfs/dbraw/zinc/81/90/37/948819037.db2.gz ALOOGHJQADTOPT-IXDOHACOSA-N 1 3 321.465 0.946 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001488770621 949165929 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C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001282015020 953446222 /nfs/dbraw/zinc/44/62/22/953446222.db2.gz TUHNUCBQZQMUOY-UHFFFAOYSA-N 1 3 322.453 0.257 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCO)C2)CC1 ZINC001284243563 954957254 /nfs/dbraw/zinc/95/72/54/954957254.db2.gz HMNWOBAEVVIHQK-GDBMZVCRSA-N 1 3 307.438 0.198 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCOCC)C2)CC1 ZINC001500292288 1018391794 /nfs/dbraw/zinc/39/17/94/1018391794.db2.gz HPHRPAVFYOSGRF-SFHVURJKSA-N 1 3 321.465 0.949 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCOCC)C2)CC1 ZINC001500292288 1018391806 /nfs/dbraw/zinc/39/18/06/1018391806.db2.gz HPHRPAVFYOSGRF-SFHVURJKSA-N 1 3 321.465 0.949 20 30 DCEDHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1)N(C)C ZINC001480303980 1018413079 /nfs/dbraw/zinc/41/30/79/1018413079.db2.gz VKLBPXDUPCTJNJ-JKSUJKDBSA-N 1 3 309.454 0.805 20 30 DCEDHO COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500382450 1018436216 /nfs/dbraw/zinc/43/62/16/1018436216.db2.gz RERVVFSYUSZVRO-MRXNPFEDSA-N 1 3 304.394 0.430 20 30 DCEDHO C=C(C)CN1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500689613 1018581940 /nfs/dbraw/zinc/58/19/40/1018581940.db2.gz NEXNXTCOIZXEAK-GOSISDBHSA-N 1 3 321.465 0.992 20 30 DCEDHO C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001494100123 1019983191 /nfs/dbraw/zinc/98/31/91/1019983191.db2.gz ZPWXFBYDDUAOIJ-MRXNPFEDSA-N 1 3 308.470 0.733 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000491251808 533103079 /nfs/dbraw/zinc/10/30/79/533103079.db2.gz CGJBGDSKQNOUBZ-MRXNPFEDSA-N 1 3 323.485 0.124 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000491251808 533103082 /nfs/dbraw/zinc/10/30/82/533103082.db2.gz CGJBGDSKQNOUBZ-MRXNPFEDSA-N 1 3 323.485 0.124 20 30 DCEDHO C[NH+](C)CCOc1ccc(CNCCn2cnc(C#N)n2)cc1 ZINC000586782558 396665311 /nfs/dbraw/zinc/66/53/11/396665311.db2.gz GWJGSILQXYBJNZ-UHFFFAOYSA-N 1 3 314.393 0.880 20 30 DCEDHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)CCCC#N)CC2)C1 ZINC000592145128 397103650 /nfs/dbraw/zinc/10/36/50/397103650.db2.gz ODSFMTULQDMVQY-LSDHHAIUSA-N 1 3 307.442 0.246 20 30 DCEDHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)CCCC#N)CC2)C1 ZINC000592145128 397103654 /nfs/dbraw/zinc/10/36/54/397103654.db2.gz ODSFMTULQDMVQY-LSDHHAIUSA-N 1 3 307.442 0.246 20 30 DCEDHO C=CCNC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492884 397193399 /nfs/dbraw/zinc/19/33/99/397193399.db2.gz GIXRWRMGGNLDJC-ZIAGYGMSSA-N 1 3 308.426 0.710 20 30 DCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nn(C)cc1C#N ZINC000615253094 412285920 /nfs/dbraw/zinc/28/59/20/412285920.db2.gz TVDTZMFRUBNZEM-UHFFFAOYSA-N 1 3 307.402 0.249 20 30 DCEDHO CN1CCC(O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329513399 416173085 /nfs/dbraw/zinc/17/30/85/416173085.db2.gz LLAWEGQUOZTGAZ-ZDUSSCGKSA-N 1 3 310.442 0.431 20 30 DCEDHO CN1CCC(O)(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329513399 416173088 /nfs/dbraw/zinc/17/30/88/416173088.db2.gz LLAWEGQUOZTGAZ-ZDUSSCGKSA-N 1 3 310.442 0.431 20 30 DCEDHO C#CCN(C)CCCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000491396254 416598678 /nfs/dbraw/zinc/59/86/78/416598678.db2.gz XHJBMFVSHXZVMJ-UHFFFAOYSA-N 1 3 324.469 0.476 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000490739028 416572100 /nfs/dbraw/zinc/57/21/00/416572100.db2.gz AMWWNLJZWUUITL-MRXNPFEDSA-N 1 3 309.479 0.885 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000491819307 416632289 /nfs/dbraw/zinc/63/22/89/416632289.db2.gz SVCJHLYVHPTRCV-HNNXBMFYSA-N 1 3 310.442 0.088 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000491819307 416632292 /nfs/dbraw/zinc/63/22/92/416632292.db2.gz SVCJHLYVHPTRCV-HNNXBMFYSA-N 1 3 310.442 0.088 20 30 DCEDHO C[C@@]12COC[C@H]1C[N@@H+](CC#CCN1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357033 /nfs/dbraw/zinc/35/70/33/418357033.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 1 3 304.434 0.926 20 30 DCEDHO C[C@@]12COC[C@H]1C[N@H+](CC#CCN1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357036 /nfs/dbraw/zinc/35/70/36/418357036.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 1 3 304.434 0.926 20 30 DCEDHO C[C@@]12COC[C@H]1CN(CC#CC[N@@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357038 /nfs/dbraw/zinc/35/70/38/418357038.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 1 3 304.434 0.926 20 30 DCEDHO C[C@@]12COC[C@H]1CN(CC#CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357041 /nfs/dbraw/zinc/35/70/41/418357041.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 1 3 304.434 0.926 20 30 DCEDHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330175554 336120876 /nfs/dbraw/zinc/12/08/76/336120876.db2.gz JEJNORYNKATOMG-BZUAXINKSA-N 1 3 324.469 0.962 20 30 DCEDHO C[NH+]=C(NCCN1CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179080338 526356725 /nfs/dbraw/zinc/35/67/25/526356725.db2.gz FGZBFXLBXJBYGU-MRXNPFEDSA-N 1 3 323.485 0.312 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000343002318 546127786 /nfs/dbraw/zinc/12/77/86/546127786.db2.gz BJFDFYQBIZNJRK-AWEZNQCLSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCCN1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970560011 657632564 /nfs/dbraw/zinc/63/25/64/657632564.db2.gz JEAFLCHTSBYWGH-AWEZNQCLSA-N 1 3 317.437 0.518 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001033688976 666796863 /nfs/dbraw/zinc/79/68/63/666796863.db2.gz WBMCXEKDBWPKNR-DOTOQJQBSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001033688976 666796864 /nfs/dbraw/zinc/79/68/64/666796864.db2.gz WBMCXEKDBWPKNR-DOTOQJQBSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001034654048 667091458 /nfs/dbraw/zinc/09/14/58/667091458.db2.gz WOLLSELWLHKNEH-YHUYYLMFSA-N 1 3 305.422 0.500 20 30 DCEDHO N#CC1(C[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCOCC1 ZINC000863550884 667156814 /nfs/dbraw/zinc/15/68/14/667156814.db2.gz DSCQABQIIGHTBZ-JYJNAYRXSA-N 1 3 323.437 0.511 20 30 DCEDHO N#CC1(C[C@H](O)CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCOCC1 ZINC000863550884 667156816 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/nfs/dbraw/zinc/90/46/03/951904603.db2.gz NWEHYJWVXKYXII-HUUCEWRRSA-N 1 3 324.469 0.646 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H]2CCCCO2)CC1 ZINC001275460075 952163701 /nfs/dbraw/zinc/16/37/01/952163701.db2.gz ZBTBAPGCHGDIIJ-DOTOQJQBSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502773 952205292 /nfs/dbraw/zinc/20/52/92/952205292.db2.gz NYGVCAZTJVNIJU-ZIAGYGMSSA-N 1 3 324.469 0.503 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243538 953531374 /nfs/dbraw/zinc/53/13/74/953531374.db2.gz XHMBVJQCWHJVAK-HOTGVXAUSA-N 1 3 319.449 0.464 20 30 DCEDHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)CCCCC#N)C[C@H]2[NH3+])cn1 ZINC001346493260 953901880 /nfs/dbraw/zinc/90/18/80/953901880.db2.gz PLZZHCIYOVRXDA-MELADBBJSA-N 1 3 304.398 0.084 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001502573348 1015979451 /nfs/dbraw/zinc/97/94/51/1015979451.db2.gz NFERXSUNWYAXDU-DOTOQJQBSA-N 1 3 307.438 0.437 20 30 DCEDHO 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ZINC000491202241 397501312 /nfs/dbraw/zinc/50/13/12/397501312.db2.gz NAAFPIGMGQLLFH-HOTGVXAUSA-N 1 3 306.454 0.084 20 30 DCEDHO CNC(NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)=[NH+]C ZINC000108638436 415681061 /nfs/dbraw/zinc/68/10/61/415681061.db2.gz HRAABKQGGQCYNW-HNNXBMFYSA-N 1 3 317.437 0.679 20 30 DCEDHO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000294905582 415876666 /nfs/dbraw/zinc/87/66/66/415876666.db2.gz FTULSHNVOCAXTH-ZDUSSCGKSA-N 1 3 309.435 0.940 20 30 DCEDHO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000294905582 415876670 /nfs/dbraw/zinc/87/66/70/415876670.db2.gz FTULSHNVOCAXTH-ZDUSSCGKSA-N 1 3 309.435 0.940 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355310317 415859325 /nfs/dbraw/zinc/85/93/25/415859325.db2.gz DGLRRJCWIQOZBK-ZDUSSCGKSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCN1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000171907823 416041909 /nfs/dbraw/zinc/04/19/09/416041909.db2.gz YZSXXTODPUTMEY-UHFFFAOYSA-N 1 3 324.469 0.640 20 30 DCEDHO C#CC[N@H+](C)CCCNC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276959 416122179 /nfs/dbraw/zinc/12/21/79/416122179.db2.gz OUTFUOJCXIIXCC-MRXNPFEDSA-N 1 3 324.446 0.668 20 30 DCEDHO C#CC[N@@H+](C)CCCNC[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000328276959 416122182 /nfs/dbraw/zinc/12/21/82/416122182.db2.gz OUTFUOJCXIIXCC-MRXNPFEDSA-N 1 3 324.446 0.668 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000342103717 416282433 /nfs/dbraw/zinc/28/24/33/416282433.db2.gz JMWYNFJHBUIGSO-CYBMUJFWSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342103717 416282437 /nfs/dbraw/zinc/28/24/37/416282437.db2.gz JMWYNFJHBUIGSO-CYBMUJFWSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000419566540 416404065 /nfs/dbraw/zinc/40/40/65/416404065.db2.gz GQHVKUOMFCOIKO-CABCVRRESA-N 1 3 322.453 0.361 20 30 DCEDHO C#CCN1CCN(C(=O)CN2CCC(CC[NH+](C)C)CC2)CC1 ZINC000490741496 416574955 /nfs/dbraw/zinc/57/49/55/416574955.db2.gz SCYGREBNPXJFMA-UHFFFAOYSA-N 1 3 320.481 0.428 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000491683400 416615527 /nfs/dbraw/zinc/61/55/27/416615527.db2.gz YMIOCYJDIQHEHL-INIZCTEOSA-N 1 3 306.454 0.973 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576874659 417644455 /nfs/dbraw/zinc/64/44/55/417644455.db2.gz ACRIYHDXNHQAFI-OLZOCXBDSA-N 1 3 310.442 0.385 20 30 DCEDHO C=CC[C@@]1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000662756231 417891675 /nfs/dbraw/zinc/89/16/75/417891675.db2.gz ILGVYDXRQHVGNJ-AEFFLSMTSA-N 1 3 320.481 0.923 20 30 DCEDHO C#CCN1CCC(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000294202368 335119020 /nfs/dbraw/zinc/11/90/20/335119020.db2.gz VCCKWTIBQSSTBS-UHFFFAOYSA-N 1 3 303.410 0.728 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000491486878 333108575 /nfs/dbraw/zinc/10/85/75/333108575.db2.gz YSKXZDNRILDRND-UHFFFAOYSA-N 1 3 310.442 0.352 20 30 DCEDHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330175555 336120775 /nfs/dbraw/zinc/12/07/75/336120775.db2.gz JEJNORYNKATOMG-OAGGEKHMSA-N 1 3 324.469 0.962 20 30 DCEDHO C=CCN1CCC(NC(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000173199733 340360145 /nfs/dbraw/zinc/36/01/45/340360145.db2.gz BSBDFFRPLJHYPT-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO C=CCN1CCC(NC(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000173199733 340360146 /nfs/dbraw/zinc/36/01/46/340360146.db2.gz BSBDFFRPLJHYPT-UHFFFAOYSA-N 1 3 312.458 0.904 20 30 DCEDHO COCC#CCN1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965967 1160195557 /nfs/dbraw/zinc/19/55/57/1160195557.db2.gz PHDPIAXKLGUQRJ-HOTGVXAUSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001569750926 1161223004 /nfs/dbraw/zinc/22/30/04/1161223004.db2.gz HBHHHWAPBAEQLS-INIZCTEOSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001569750926 1161223011 /nfs/dbraw/zinc/22/30/11/1161223011.db2.gz HBHHHWAPBAEQLS-INIZCTEOSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799062 659565357 /nfs/dbraw/zinc/56/53/57/659565357.db2.gz REMFUFQRYVSGAC-OWYFMNJBSA-N 1 3 305.422 0.472 20 30 DCEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799062 659565359 /nfs/dbraw/zinc/56/53/59/659565359.db2.gz REMFUFQRYVSGAC-OWYFMNJBSA-N 1 3 305.422 0.472 20 30 DCEDHO C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046865 665729868 /nfs/dbraw/zinc/72/98/68/665729868.db2.gz WREPQAYWMVUXGF-HIFRSBDPSA-N 1 3 318.425 0.279 20 30 DCEDHO C=CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046865 665729869 /nfs/dbraw/zinc/72/98/69/665729869.db2.gz WREPQAYWMVUXGF-HIFRSBDPSA-N 1 3 318.425 0.279 20 30 DCEDHO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000262505223 662427704 /nfs/dbraw/zinc/42/77/04/662427704.db2.gz ZPRRVDNKSFSLTE-LSDHHAIUSA-N 1 3 310.442 0.537 20 30 DCEDHO CN(C)CCn1nccc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000900378634 663238945 /nfs/dbraw/zinc/23/89/45/663238945.db2.gz UXFSLPSEYCTILG-UHFFFAOYSA-N 1 3 320.441 0.752 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)CC1 ZINC000911236351 664008964 /nfs/dbraw/zinc/00/89/64/664008964.db2.gz PYEMZZHYXCNZAQ-HNNXBMFYSA-N 1 3 322.453 0.354 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@H]2C)CC1 ZINC000994495736 665116386 /nfs/dbraw/zinc/11/63/86/665116386.db2.gz GRYVWCOGUYXZAS-DOTOQJQBSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)[C@H]2C)CC1 ZINC000994495736 665116388 /nfs/dbraw/zinc/11/63/88/665116388.db2.gz GRYVWCOGUYXZAS-DOTOQJQBSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001016330924 666217900 /nfs/dbraw/zinc/21/79/00/666217900.db2.gz HRMIXQKKJMVJOH-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)COC)C2)CC1 ZINC001016330924 666217902 /nfs/dbraw/zinc/21/79/02/666217902.db2.gz HRMIXQKKJMVJOH-ZBFHGGJFSA-N 1 3 307.438 0.557 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001033688978 666796908 /nfs/dbraw/zinc/79/69/08/666796908.db2.gz WBMCXEKDBWPKNR-RDJZCZTQSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001033688978 666796909 /nfs/dbraw/zinc/79/69/09/666796909.db2.gz WBMCXEKDBWPKNR-RDJZCZTQSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001005426466 666855761 /nfs/dbraw/zinc/85/57/61/666855761.db2.gz URRWXFWHTUZLRS-IRXDYDNUSA-N 1 3 319.449 0.796 20 30 DCEDHO C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(C(C)C)CCO1)CC2 ZINC001035776225 667411582 /nfs/dbraw/zinc/41/15/82/667411582.db2.gz NDLCUHAWBNJDEJ-INIZCTEOSA-N 1 3 319.449 0.653 20 30 DCEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000884208351 667499151 /nfs/dbraw/zinc/49/91/51/667499151.db2.gz XQENAHQXACRPJK-WCCAFZKYSA-N 1 3 318.421 0.105 20 30 DCEDHO C#CCN1CCC(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000761709797 668334527 /nfs/dbraw/zinc/33/45/27/668334527.db2.gz XZSCSIPGFQQHHU-QGZVFWFLSA-N 1 3 319.449 0.701 20 30 DCEDHO C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCCO1 ZINC000854003271 670514373 /nfs/dbraw/zinc/51/43/73/670514373.db2.gz GYTNLROSUTTXEZ-HRCADAONSA-N 1 3 324.469 0.738 20 30 DCEDHO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCCO1 ZINC000854003271 670514378 /nfs/dbraw/zinc/51/43/78/670514378.db2.gz GYTNLROSUTTXEZ-HRCADAONSA-N 1 3 324.469 0.738 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991410 670746011 /nfs/dbraw/zinc/74/60/11/670746011.db2.gz CWVDWXJYRAGIRA-AWEZNQCLSA-N 1 3 315.425 0.963 20 30 DCEDHO N#C[C@@H]1CNC[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000844195219 672161541 /nfs/dbraw/zinc/16/15/41/672161541.db2.gz SPLUFCLIUJYBPM-KGLIPLIRSA-N 1 3 306.410 0.249 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303769877 685206112 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COCC#CCN[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001571565852 1162813014 /nfs/dbraw/zinc/81/30/14/1162813014.db2.gz HGQZKWMFVDQJPD-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C=CCCN1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752372220 1157919262 /nfs/dbraw/zinc/91/92/62/1157919262.db2.gz AAEGRVKXVASOLV-UHFFFAOYSA-N 1 3 308.470 0.638 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001566905292 1160180839 /nfs/dbraw/zinc/18/08/39/1160180839.db2.gz OVYCKPTZFOJESN-SJORKVTESA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567097187 1160240274 /nfs/dbraw/zinc/24/02/74/1160240274.db2.gz RIJNKXXIYMRVCG-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567097187 1160240282 /nfs/dbraw/zinc/24/02/82/1160240282.db2.gz RIJNKXXIYMRVCG-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567399699 1160347903 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/nfs/dbraw/zinc/51/29/77/1178512977.db2.gz TUVAIQPLSXOZNG-HNNXBMFYSA-N 1 3 311.401 0.118 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCC[C@](CO)([NH2+]CC=C)C2)CC1 ZINC001700242087 1178549688 /nfs/dbraw/zinc/54/96/88/1178549688.db2.gz NBIRGFOMPINDOJ-SFHVURJKSA-N 1 3 319.449 0.461 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001700278159 1178565249 /nfs/dbraw/zinc/56/52/49/1178565249.db2.gz NVNMUPZZHXVESV-UONOGXRCSA-N 1 3 310.442 0.065 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1OCC ZINC001707151025 1180423760 /nfs/dbraw/zinc/42/37/60/1180423760.db2.gz RDFWGTIGVGLLNE-ARFHVFGLSA-N 1 3 307.438 0.415 20 30 DCEDHO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CCN(CC#C)CC1 ZINC001713268872 1180745811 /nfs/dbraw/zinc/74/58/11/1180745811.db2.gz JMPGKZGQIIMOGG-KRWDZBQOSA-N 1 3 301.434 0.936 20 30 DCEDHO C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001714316696 1181318106 /nfs/dbraw/zinc/31/81/06/1181318106.db2.gz XWGMZFHWQOUTOM-HNNXBMFYSA-N 1 3 322.453 0.213 20 30 DCEDHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCOC)CC1 ZINC001716808886 1182532656 /nfs/dbraw/zinc/53/26/56/1182532656.db2.gz KYDUXVVMWRVFLG-UHFFFAOYSA-N 1 3 318.421 0.915 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717195974 1182723851 /nfs/dbraw/zinc/72/38/51/1182723851.db2.gz SURGQQZPAZQFFP-IXDOHACOSA-N 1 3 321.465 0.947 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001717195974 1182723856 /nfs/dbraw/zinc/72/38/56/1182723856.db2.gz SURGQQZPAZQFFP-IXDOHACOSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717750987 1182978397 /nfs/dbraw/zinc/97/83/97/1182978397.db2.gz UDEYRUPSKARYTA-KBPBESRZSA-N 1 3 322.453 0.209 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001731647027 1185427152 /nfs/dbraw/zinc/42/71/52/1185427152.db2.gz ROLNANWFUPEDMR-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCCN1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732064078 1185654657 /nfs/dbraw/zinc/65/46/57/1185654657.db2.gz GAKBTBYNEKYGFN-KRWDZBQOSA-N 1 3 322.497 0.980 20 30 DCEDHO C=CCCN1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001732064078 1185654661 /nfs/dbraw/zinc/65/46/61/1185654661.db2.gz GAKBTBYNEKYGFN-KRWDZBQOSA-N 1 3 322.497 0.980 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)CC1 ZINC001733386092 1186248441 /nfs/dbraw/zinc/24/84/41/1186248441.db2.gz BHTAZIUWQBVTQS-KRWDZBQOSA-N 1 3 321.465 0.589 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001733960350 1186509330 /nfs/dbraw/zinc/50/93/30/1186509330.db2.gz RGSYEDBTYDLWCD-JCYILVPMSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001734542016 1186684731 /nfs/dbraw/zinc/68/47/31/1186684731.db2.gz RQNYNLZTAUTORY-OAHLLOKOSA-N 1 3 309.454 0.635 20 30 DCEDHO C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001734542016 1186684738 /nfs/dbraw/zinc/68/47/38/1186684738.db2.gz RQNYNLZTAUTORY-OAHLLOKOSA-N 1 3 309.454 0.635 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001754987216 1188987188 /nfs/dbraw/zinc/98/71/88/1188987188.db2.gz KRFIOGBCHDEMHR-CQSZACIVSA-N 1 3 322.453 0.259 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)CC1 ZINC001755839050 1189232375 /nfs/dbraw/zinc/23/23/75/1189232375.db2.gz IHXFTDBTDABMFX-HNNXBMFYSA-N 1 3 309.454 0.444 20 30 DCEDHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC#CCOC)CC1)N(C)C ZINC001167260719 747044201 /nfs/dbraw/zinc/04/42/01/747044201.db2.gz GIPNEYFWAILPTK-HNNXBMFYSA-N 1 3 309.454 0.853 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203460035 752662361 /nfs/dbraw/zinc/66/23/61/752662361.db2.gz LQJOVXMQCVDPPH-AWEZNQCLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2O)CC1 ZINC001078227161 753122055 /nfs/dbraw/zinc/12/20/55/753122055.db2.gz LRWKPVKMSYAWGX-IAGOWNOFSA-N 1 3 319.449 0.459 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(=C)C)C[C@H]2O)CC1 ZINC001078227161 753122058 /nfs/dbraw/zinc/12/20/58/753122058.db2.gz LRWKPVKMSYAWGX-IAGOWNOFSA-N 1 3 319.449 0.459 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001045646428 753278241 /nfs/dbraw/zinc/27/82/41/753278241.db2.gz IXXLLMOEPICDIZ-OAHLLOKOSA-N 1 3 321.465 0.683 20 30 DCEDHO C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469906 754309184 /nfs/dbraw/zinc/30/91/84/754309184.db2.gz BZYZZFOZHAZGBM-YESZJQIVSA-N 1 3 321.465 0.940 20 30 DCEDHO C=CCCN1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083621 757484332 /nfs/dbraw/zinc/48/43/32/757484332.db2.gz CIYBGALFKSJEER-YESZJQIVSA-N 1 3 319.449 0.816 20 30 DCEDHO C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117602 759191467 /nfs/dbraw/zinc/19/14/67/759191467.db2.gz VAFIZHNFYVZKCC-SJORKVTESA-N 1 3 320.481 0.733 20 30 DCEDHO C=CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117602 759191472 /nfs/dbraw/zinc/19/14/72/759191472.db2.gz VAFIZHNFYVZKCC-SJORKVTESA-N 1 3 320.481 0.733 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/nfs/dbraw/zinc/39/71/69/960397169.db2.gz RACINLOEJXIITD-INIZCTEOSA-N 1 3 307.438 0.416 20 30 DCEDHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)C1 ZINC001379281670 962534255 /nfs/dbraw/zinc/53/42/55/962534255.db2.gz FEDFWGGWYPMJEV-VXGBXAGGSA-N 1 3 322.434 0.138 20 30 DCEDHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)C1 ZINC001379281670 962534266 /nfs/dbraw/zinc/53/42/66/962534266.db2.gz FEDFWGGWYPMJEV-VXGBXAGGSA-N 1 3 322.434 0.138 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccc(F)c(C#N)c1 ZINC001392398083 991871738 /nfs/dbraw/zinc/87/17/38/991871738.db2.gz XYULODXYKRTIQJ-AWEZNQCLSA-N 1 3 322.384 0.216 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507072617 1015954506 /nfs/dbraw/zinc/95/45/06/1015954506.db2.gz VZKJOAZUMYBAGL-HUUCEWRRSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507072617 1015954513 /nfs/dbraw/zinc/95/45/13/1015954513.db2.gz VZKJOAZUMYBAGL-HUUCEWRRSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001502644087 1016012009 /nfs/dbraw/zinc/01/20/09/1016012009.db2.gz VJDLRAUBQIDWMI-HUUCEWRRSA-N 1 3 307.438 0.747 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499422770 1017924610 /nfs/dbraw/zinc/92/46/10/1017924610.db2.gz YEBWDZWBBCFEIQ-CVEARBPZSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC001499459353 1017940012 /nfs/dbraw/zinc/94/00/12/1017940012.db2.gz XKAGKUVAPKBPAX-HNNXBMFYSA-N 1 3 319.449 0.607 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001480111123 1018212968 /nfs/dbraw/zinc/21/29/68/1018212968.db2.gz BVBFNFRUNIIFML-KBPBESRZSA-N 1 3 322.453 0.352 20 30 DCEDHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCOC)CCCC2)CC1 ZINC001495210616 1018395536 /nfs/dbraw/zinc/39/55/36/1018395536.db2.gz ITTRIBKOSZWQGO-UHFFFAOYSA-N 1 3 321.465 0.997 20 30 DCEDHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1)N(C)C ZINC001480303978 1018412371 /nfs/dbraw/zinc/41/23/71/1018412371.db2.gz VKLBPXDUPCTJNJ-HZPDHXFCSA-N 1 3 309.454 0.805 20 30 DCEDHO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001500736627 1018618898 /nfs/dbraw/zinc/61/88/98/1018618898.db2.gz VWZYULLTRAHNSI-FUHWJXTLSA-N 1 3 321.465 0.826 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001500736627 1018618901 /nfs/dbraw/zinc/61/89/01/1018618901.db2.gz VWZYULLTRAHNSI-FUHWJXTLSA-N 1 3 321.465 0.826 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001480665096 1018754740 /nfs/dbraw/zinc/75/47/40/1018754740.db2.gz ITDODQCLKRDOGM-HZPDHXFCSA-N 1 3 307.438 0.416 20 30 DCEDHO COCC#CCN1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001493224506 1019223042 /nfs/dbraw/zinc/22/30/42/1019223042.db2.gz YQDYOHNBTXKDPP-MRXNPFEDSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CC[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001498769038 1019413063 /nfs/dbraw/zinc/41/30/63/1019413063.db2.gz GUDOQPLTZRYSTN-OAHLLOKOSA-N 1 3 307.438 0.605 20 30 DCEDHO COCCNC(=[NH2+])NCc1ccccc1CN1CCC(O)CC1 ZINC000267448694 238225063 /nfs/dbraw/zinc/22/50/63/238225063.db2.gz QVAQZYHWTGLGEN-UHFFFAOYSA-N 1 3 320.437 0.694 20 30 DCEDHO C[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000591361251 396910579 /nfs/dbraw/zinc/91/05/79/396910579.db2.gz OLBUIRVVFFDNSV-ZDUSSCGKSA-N 1 3 303.410 0.979 20 30 DCEDHO C=CCNC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492881 397192454 /nfs/dbraw/zinc/19/24/54/397192454.db2.gz GIXRWRMGGNLDJC-KGLIPLIRSA-N 1 3 308.426 0.710 20 30 DCEDHO C#CCNC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000491202243 397501364 /nfs/dbraw/zinc/50/13/64/397501364.db2.gz NAAFPIGMGQLLFH-JKSUJKDBSA-N 1 3 306.454 0.084 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000491634314 416608783 /nfs/dbraw/zinc/60/87/83/416608783.db2.gz RBWFRRZKOATKAG-UHFFFAOYSA-N 1 3 323.485 0.220 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000491634314 416608786 /nfs/dbraw/zinc/60/87/86/416608786.db2.gz RBWFRRZKOATKAG-UHFFFAOYSA-N 1 3 323.485 0.220 20 30 DCEDHO C#CCN(C)CCCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000491652939 416610149 /nfs/dbraw/zinc/61/01/49/416610149.db2.gz BCBBMASUAPIKPX-MRXNPFEDSA-N 1 3 324.469 0.742 20 30 DCEDHO C#CCN(C)CCCNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000491652939 416610154 /nfs/dbraw/zinc/61/01/54/416610154.db2.gz BCBBMASUAPIKPX-MRXNPFEDSA-N 1 3 324.469 0.742 20 30 DCEDHO C=CC[C@@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CCC[NH2+]1 ZINC000662820252 417917089 /nfs/dbraw/zinc/91/70/89/417917089.db2.gz RVNDWUSUNGYTEV-LZWOXQAQSA-N 1 3 303.410 0.372 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267475319 276184211 /nfs/dbraw/zinc/18/42/11/276184211.db2.gz ZFMCDZLVSIJKIM-LBPRGKRZSA-N 1 3 307.446 0.375 20 30 DCEDHO C[NH+]=C(NC[C@@H]1CCOC1)NCC1(N2CCCC2)CCOCC1 ZINC000262805539 526371384 /nfs/dbraw/zinc/37/13/84/526371384.db2.gz SQWUENRDJIWCOH-HNNXBMFYSA-N 1 3 324.469 0.833 20 30 DCEDHO C=CCN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001672018519 1175063678 /nfs/dbraw/zinc/06/36/78/1175063678.db2.gz GVEVVJGIGCXMHE-RDJZCZTQSA-N 1 3 309.454 0.847 20 30 DCEDHO C=CCN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001672018519 1175063683 /nfs/dbraw/zinc/06/36/83/1175063683.db2.gz GVEVVJGIGCXMHE-RDJZCZTQSA-N 1 3 309.454 0.847 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)COC)C2)CC1 ZINC000970922630 658084213 /nfs/dbraw/zinc/08/42/13/658084213.db2.gz ZUIBSEJTMCEVCX-CABCVRRESA-N 1 3 321.465 0.803 20 30 DCEDHO C#CCC[NH+]1CC([C@H](C)NC(=O)C2CCN(CC#C)CC2)C1 ZINC000970924886 658085464 /nfs/dbraw/zinc/08/54/64/658085464.db2.gz MRJBPQORKBHZSP-HNNXBMFYSA-N 1 3 301.434 0.791 20 30 DCEDHO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970170215 658688124 /nfs/dbraw/zinc/68/81/24/658688124.db2.gz QJAJVTIODZKTIE-GEMJLEDKSA-N 1 3 319.449 0.862 20 30 DCEDHO C#CCN1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857171 661852599 /nfs/dbraw/zinc/85/25/99/661852599.db2.gz VAQFDHYUGYOVEG-AWEZNQCLSA-N 1 3 303.410 0.130 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906649519 663626956 /nfs/dbraw/zinc/62/69/56/663626956.db2.gz FQLWZJSLSZTWMZ-UHFFFAOYSA-N 1 3 316.405 0.850 20 30 DCEDHO C#CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516352 666290486 /nfs/dbraw/zinc/29/04/86/666290486.db2.gz MAURMJGUZVDAAV-GOEBONIOSA-N 1 3 317.437 0.518 20 30 DCEDHO C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001034654046 667091409 /nfs/dbraw/zinc/09/14/09/667091409.db2.gz WOLLSELWLHKNEH-VGWMRTNUSA-N 1 3 305.422 0.500 20 30 DCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327968 668602131 /nfs/dbraw/zinc/60/21/31/668602131.db2.gz ZXZHDHWBCDSLNS-NEPJUHHUSA-N 1 3 301.818 0.731 20 30 DCEDHO CC[N@@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772985496 668790697 /nfs/dbraw/zinc/79/06/97/668790697.db2.gz SFNAWNZKCSFNJW-JJLJGCLUSA-N 1 3 306.410 0.833 20 30 DCEDHO CC[N@H+]1CC[C@H](NCCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772985496 668790699 /nfs/dbraw/zinc/79/06/99/668790699.db2.gz SFNAWNZKCSFNJW-JJLJGCLUSA-N 1 3 306.410 0.833 20 30 DCEDHO CN(C)CC#CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000931126115 669139439 /nfs/dbraw/zinc/13/94/39/669139439.db2.gz DAHRZJIOVCRKPJ-UHFFFAOYSA-N 1 3 318.425 0.836 20 30 DCEDHO COCCCNC(=O)C(C#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805851135 669394925 /nfs/dbraw/zinc/39/49/25/669394925.db2.gz DDEKPRDKKFWICE-AWEZNQCLSA-N 1 3 307.394 0.722 20 30 DCEDHO C=CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481154 687694585 /nfs/dbraw/zinc/69/45/85/687694585.db2.gz NLOYMNMPMWNZBJ-SJORKVTESA-N 1 3 317.433 0.957 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724587 687878624 /nfs/dbraw/zinc/87/86/24/687878624.db2.gz QMQMDYXJNNMNSC-DLBZAZTESA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724587 687878630 /nfs/dbraw/zinc/87/86/30/687878630.db2.gz QMQMDYXJNNMNSC-DLBZAZTESA-N 1 3 319.449 0.317 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CC4)C[C@H]32)CC1 ZINC000962780107 688978371 /nfs/dbraw/zinc/97/83/71/688978371.db2.gz SAZJLZVYJAAVJV-FVQHAEBGSA-N 1 3 301.434 0.788 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CC4)C[C@H]32)CC1 ZINC000962780107 688978375 /nfs/dbraw/zinc/97/83/75/688978375.db2.gz SAZJLZVYJAAVJV-FVQHAEBGSA-N 1 3 301.434 0.788 20 30 DCEDHO C#CCCN1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073862871 694793803 /nfs/dbraw/zinc/79/38/03/694793803.db2.gz ZFKPACLNHGTWQN-OAHLLOKOSA-N 1 3 305.422 0.313 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001571490183 1162780768 /nfs/dbraw/zinc/78/07/68/1162780768.db2.gz ANTULCNDMVIUDD-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CC)C2)CC1 ZINC001691128617 1157589515 /nfs/dbraw/zinc/58/95/15/1157589515.db2.gz OTFDLFSMPLSFTA-WOVMCDHWSA-N 1 3 301.434 0.839 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566768289 1159848482 /nfs/dbraw/zinc/84/84/82/1159848482.db2.gz HIYYWOHXETWBDL-IRXDYDNUSA-N 1 3 321.465 0.947 20 30 DCEDHO COCC#CCN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001566768289 1159848495 /nfs/dbraw/zinc/84/84/95/1159848495.db2.gz HIYYWOHXETWBDL-IRXDYDNUSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](CC)OC)CC1 ZINC001567082722 1160233126 /nfs/dbraw/zinc/23/31/26/1160233126.db2.gz VEZULEJGNJALFG-ZBFHGGJFSA-N 1 3 309.454 0.851 20 30 DCEDHO COCC#CC[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001568193342 1160595738 /nfs/dbraw/zinc/59/57/38/1160595738.db2.gz AOBWAZDSEMIEAK-HNNXBMFYSA-N 1 3 311.470 0.956 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001569839009 1161282583 /nfs/dbraw/zinc/28/25/83/1161282583.db2.gz NAUASBBHQVRVMS-HOTGVXAUSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001569854413 1161285908 /nfs/dbraw/zinc/28/59/08/1161285908.db2.gz BJWZONGJUHXKPS-HOTGVXAUSA-N 1 3 309.454 0.661 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001569856571 1161286632 /nfs/dbraw/zinc/28/66/32/1161286632.db2.gz VITCPHQHOIAINV-CABCVRRESA-N 1 3 324.469 0.313 20 30 DCEDHO COCC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570274656 1161531735 /nfs/dbraw/zinc/53/17/35/1161531735.db2.gz IOOGLFDCHMTIBF-SFHVURJKSA-N 1 3 321.465 0.902 20 30 DCEDHO C#CCN[C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570290567 1161546211 /nfs/dbraw/zinc/54/62/11/1161546211.db2.gz AIEBKTRJSWLBFA-DOTOQJQBSA-N 1 3 309.454 0.683 20 30 DCEDHO C[NH+](C)CCOc1cc(NC(=O)[C@@H](N)CCCC#N)ccn1 ZINC001578418854 1165008903 /nfs/dbraw/zinc/00/89/03/1165008903.db2.gz HGEYJBBLZBBEHV-ZDUSSCGKSA-N 1 3 305.382 0.982 20 30 DCEDHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001656138034 1173845153 /nfs/dbraw/zinc/84/51/53/1173845153.db2.gz QRERSSIHNHGMLZ-BBWFWOEESA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001661895402 1174168689 /nfs/dbraw/zinc/16/86/89/1174168689.db2.gz DZMWDXAOUMQZRN-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001662686069 1174232113 /nfs/dbraw/zinc/23/21/13/1174232113.db2.gz VQFNFQRULLHVFJ-LSDHHAIUSA-N 1 3 322.453 0.069 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]2CCCN2C)C1=O ZINC001668381849 1174789491 /nfs/dbraw/zinc/78/94/91/1174789491.db2.gz MBITYOJYFZDGJG-CABCVRRESA-N 1 3 322.453 0.306 20 30 DCEDHO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001673671876 1175222498 /nfs/dbraw/zinc/22/24/98/1175222498.db2.gz QGPPYRCTICKVHM-FUHWJXTLSA-N 1 3 321.465 0.826 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001674392823 1175273295 /nfs/dbraw/zinc/27/32/95/1175273295.db2.gz BNJPWYAUXRHIFN-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCOCCN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001675360409 1175351509 /nfs/dbraw/zinc/35/15/09/1175351509.db2.gz YKYPAPWHMDEHIJ-CABCVRRESA-N 1 3 309.454 0.967 20 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/nfs/dbraw/zinc/57/52/23/1178575223.db2.gz VSYBFWCEVQISPI-INIZCTEOSA-N 1 3 321.465 0.827 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700843128 1178775327 /nfs/dbraw/zinc/77/53/27/1178775327.db2.gz SWEVRRARRVRFIQ-UKRRQHHQSA-N 1 3 322.453 0.209 20 30 DCEDHO CC[N@@H+](CC#CCOC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001713025288 1180634268 /nfs/dbraw/zinc/63/42/68/1180634268.db2.gz ZDQMTVOFEZXDNY-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO CC[N@H+](CC#CCOC)CCCNC(=O)CN1CC[C@H](C)C1 ZINC001713025288 1180634271 /nfs/dbraw/zinc/63/42/71/1180634271.db2.gz ZDQMTVOFEZXDNY-INIZCTEOSA-N 1 3 309.454 0.806 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713654546 1180999089 /nfs/dbraw/zinc/99/90/89/1180999089.db2.gz FGFIIGVHSZJDEF-HOTGVXAUSA-N 1 3 309.454 0.805 20 30 DCEDHO C=C(C)CN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714304996 1181314909 /nfs/dbraw/zinc/31/49/09/1181314909.db2.gz JWYHVHAJMTVACU-HUUCEWRRSA-N 1 3 324.469 0.457 20 30 DCEDHO 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C#CCCN1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588673 770097846 /nfs/dbraw/zinc/09/78/46/770097846.db2.gz QUFAGRDQECZOFA-CVEARBPZSA-N 1 3 307.438 0.559 20 30 DCEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154385397 770165579 /nfs/dbraw/zinc/16/55/79/770165579.db2.gz IAMWEGNHZABGNJ-JBCIKUTRSA-N 1 3 319.449 0.700 20 30 DCEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154385397 770165582 /nfs/dbraw/zinc/16/55/82/770165582.db2.gz IAMWEGNHZABGNJ-JBCIKUTRSA-N 1 3 319.449 0.700 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)CC[N@@H+]1C ZINC001182692290 771534938 /nfs/dbraw/zinc/53/49/38/771534938.db2.gz HBSFJXWXLBTPKD-OWCLPIDISA-N 1 3 307.438 0.557 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC#CCOC)C2)CC[N@H+]1C ZINC001182692290 771534945 /nfs/dbraw/zinc/53/49/45/771534945.db2.gz HBSFJXWXLBTPKD-OWCLPIDISA-N 1 3 307.438 0.557 20 30 DCEDHO C=CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265383 771895316 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C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218555239 774246117 /nfs/dbraw/zinc/24/61/17/774246117.db2.gz YXLHLIVFCLLVGU-YUMQZZPRSA-N 1 3 321.406 0.056 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200721135 774397964 /nfs/dbraw/zinc/39/79/64/774397964.db2.gz HVTGQUOIZNOTGT-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721135 774397971 /nfs/dbraw/zinc/39/79/71/774397971.db2.gz HVTGQUOIZNOTGT-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCCO1 ZINC001201402313 774501765 /nfs/dbraw/zinc/50/17/65/774501765.db2.gz CHFAIFYBUGYSJP-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO CC#CC[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001201702127 774541984 /nfs/dbraw/zinc/54/19/84/774541984.db2.gz WIPFSHODAXNWFR-BFHRDPOASA-N 1 3 317.433 0.454 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2O)CC1 ZINC001221066239 774988966 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COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317005083 944734500 /nfs/dbraw/zinc/73/45/00/944734500.db2.gz DWYBNIUYGUBVLF-CVEARBPZSA-N 1 3 319.449 0.559 20 30 DCEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317005083 944734514 /nfs/dbraw/zinc/73/45/14/944734514.db2.gz DWYBNIUYGUBVLF-CVEARBPZSA-N 1 3 319.449 0.559 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001319085791 945493309 /nfs/dbraw/zinc/49/33/09/945493309.db2.gz SITHHVVEYLHFDF-RRFJBIMHSA-N 1 3 322.453 0.045 20 30 DCEDHO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320272866 945798869 /nfs/dbraw/zinc/79/88/69/945798869.db2.gz JTBKSSDTHKUXKJ-CZUORRHYSA-N 1 3 315.433 0.842 20 30 DCEDHO C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001325230834 947716762 /nfs/dbraw/zinc/71/67/62/947716762.db2.gz ANZAZPBVTOTCET-HUUCEWRRSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCC[C@@H](C)N1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001325230834 947716770 /nfs/dbraw/zinc/71/67/70/947716770.db2.gz ANZAZPBVTOTCET-HUUCEWRRSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179553995 947870268 /nfs/dbraw/zinc/87/02/68/947870268.db2.gz JOHHGKAPTHHWJZ-QPSCCSFWSA-N 1 3 324.469 0.596 20 30 DCEDHO C=C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273880841 948651384 /nfs/dbraw/zinc/65/13/84/948651384.db2.gz GPLJYHNWRRBCLR-WBVHZDCISA-N 1 3 309.454 0.800 20 30 DCEDHO C=C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273880841 948651388 /nfs/dbraw/zinc/65/13/88/948651388.db2.gz GPLJYHNWRRBCLR-WBVHZDCISA-N 1 3 309.454 0.800 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001264986178 949145592 /nfs/dbraw/zinc/14/55/92/949145592.db2.gz BFYHHADFTBOGMX-MRXNPFEDSA-N 1 3 309.454 0.947 20 30 DCEDHO COCC#CCN(C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001264986178 949145607 /nfs/dbraw/zinc/14/56/07/949145607.db2.gz BFYHHADFTBOGMX-MRXNPFEDSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001489353411 949750165 /nfs/dbraw/zinc/75/01/65/949750165.db2.gz WEYLCTXTJSJMFZ-INIZCTEOSA-N 1 3 307.438 0.389 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001489353411 949750179 /nfs/dbraw/zinc/75/01/79/949750179.db2.gz WEYLCTXTJSJMFZ-INIZCTEOSA-N 1 3 307.438 0.389 20 30 DCEDHO C#CCNC(=O)[C@@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001332855513 951825249 /nfs/dbraw/zinc/82/52/49/951825249.db2.gz DCPGUAKYNQGXCU-KGLIPLIRSA-N 1 3 324.469 0.197 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342564068 953296092 /nfs/dbraw/zinc/29/60/92/953296092.db2.gz FBBWXHWMOXLMPT-WBMJQRKESA-N 1 3 303.410 0.667 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001281808623 953372081 /nfs/dbraw/zinc/37/20/81/953372081.db2.gz MIOJNRCHWVDHAX-JKSUJKDBSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCCN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001281808623 953372092 /nfs/dbraw/zinc/37/20/92/953372092.db2.gz MIOJNRCHWVDHAX-JKSUJKDBSA-N 1 3 321.465 0.683 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507072618 1015953796 /nfs/dbraw/zinc/95/37/96/1015953796.db2.gz VZKJOAZUMYBAGL-LSDHHAIUSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507072618 1015953801 /nfs/dbraw/zinc/95/38/01/1015953801.db2.gz VZKJOAZUMYBAGL-LSDHHAIUSA-N 1 3 322.453 0.045 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001508113631 1016660997 /nfs/dbraw/zinc/66/09/97/1016660997.db2.gz AMVMTNRNGJHVMR-UHFFFAOYSA-N 1 3 322.453 0.352 20 30 DCEDHO C=CCOCCN1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506652176 1017441391 /nfs/dbraw/zinc/44/13/91/1017441391.db2.gz XPERQADGPOURBN-CQSZACIVSA-N 1 3 309.454 0.967 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001499275607 1017800141 /nfs/dbraw/zinc/80/01/41/1017800141.db2.gz ZHVMBGDIAJVDJY-MRXNPFEDSA-N 1 3 321.465 0.995 20 30 DCEDHO COCC#CCNC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001499275607 1017800156 /nfs/dbraw/zinc/80/01/56/1017800156.db2.gz ZHVMBGDIAJVDJY-MRXNPFEDSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+][C@@H](C)COC)C2CC2)CC1 ZINC001480066943 1018178011 /nfs/dbraw/zinc/17/80/11/1018178011.db2.gz SZWGXVPBYXUMEC-YOEHRIQHSA-N 1 3 321.465 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+][C@H](C)COC)C2CC2)CC1 ZINC001480066941 1018178184 /nfs/dbraw/zinc/17/81/84/1018178184.db2.gz SZWGXVPBYXUMEC-RHSMWYFYSA-N 1 3 321.465 0.851 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480111571 1018215424 /nfs/dbraw/zinc/21/54/24/1018215424.db2.gz BTQYMFRNMUFMQK-ILXRZTDVSA-N 1 3 324.469 0.454 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001480665098 1018756451 /nfs/dbraw/zinc/75/64/51/1018756451.db2.gz ITDODQCLKRDOGM-JKSUJKDBSA-N 1 3 307.438 0.416 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070474 1018857179 /nfs/dbraw/zinc/85/71/79/1018857179.db2.gz GJXUPOAOPQBWHR-QWHCGFSZSA-N 1 3 319.409 0.081 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)OC)CC1 ZINC001498457926 1019139885 /nfs/dbraw/zinc/13/98/85/1019139885.db2.gz VFMVVSGZUZORCE-CABCVRRESA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)OC)CC1 ZINC001498457926 1019139889 /nfs/dbraw/zinc/13/98/89/1019139889.db2.gz VFMVVSGZUZORCE-CABCVRRESA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001496238789 1019185981 /nfs/dbraw/zinc/18/59/81/1019185981.db2.gz MXCIWHUMRJYBFG-HIFRSBDPSA-N 1 3 322.453 0.032 20 30 DCEDHO COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501647650 1019352245 /nfs/dbraw/zinc/35/22/45/1019352245.db2.gz MZMGVGRFBWCXOY-MRXNPFEDSA-N 1 3 307.438 0.560 20 30 DCEDHO COCC#CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001660753108 1174044808 /nfs/dbraw/zinc/04/48/08/1174044808.db2.gz MIBPQKKRJGRZSH-OAHLLOKOSA-N 1 3 307.438 0.559 20 30 DCEDHO COCC#CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001660753108 1174044816 /nfs/dbraw/zinc/04/48/16/1174044816.db2.gz MIBPQKKRJGRZSH-OAHLLOKOSA-N 1 3 307.438 0.559 20 30 DCEDHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598595281 397255177 /nfs/dbraw/zinc/25/51/77/397255177.db2.gz HTKXKZSIZCNXDU-HNNXBMFYSA-N 1 3 324.469 0.677 20 30 DCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(C#N)c1 ZINC000603135575 397574365 /nfs/dbraw/zinc/57/43/65/397574365.db2.gz RFWAMPVVTIIPBQ-UHFFFAOYSA-N 1 3 304.398 0.910 20 30 DCEDHO COCCNC(=[NH2+])NCc1ccccc1CN1CC[C@H](O)C1 ZINC000180446933 416197183 /nfs/dbraw/zinc/19/71/83/416197183.db2.gz IHRDITBXTKUISC-HNNXBMFYSA-N 1 3 306.410 0.304 20 30 DCEDHO C=CCCn1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000644625948 417634528 /nfs/dbraw/zinc/63/45/28/417634528.db2.gz RWYCZTXBSVXXMZ-UHFFFAOYSA-N 1 3 308.430 0.420 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000303892888 279303440 /nfs/dbraw/zinc/30/34/40/279303440.db2.gz ROWICPCYLMLIOP-GFCCVEGCSA-N 1 3 305.430 0.503 20 30 DCEDHO C=CCN1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000569481697 332101099 /nfs/dbraw/zinc/10/10/99/332101099.db2.gz NXTVYDFJAWOVBX-CQSZACIVSA-N 1 3 318.425 0.410 20 30 DCEDHO C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001026530095 659382340 /nfs/dbraw/zinc/38/23/40/659382340.db2.gz DKWNNIVBZYGRCN-KUNBBXKYSA-N 1 3 317.433 0.500 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001009629004 659439418 /nfs/dbraw/zinc/43/94/18/659439418.db2.gz QZGCKQXDKIEXRE-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001009629004 659439422 /nfs/dbraw/zinc/43/94/22/659439422.db2.gz QZGCKQXDKIEXRE-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999759089 665683802 /nfs/dbraw/zinc/68/38/02/665683802.db2.gz AFXWHUFGNZMQAX-GYMHETDLSA-N 1 3 305.422 0.616 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001028333515 661461236 /nfs/dbraw/zinc/46/12/36/661461236.db2.gz MQQCKMSUGSHCKR-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001028333515 661461237 /nfs/dbraw/zinc/46/12/37/661461237.db2.gz MQQCKMSUGSHCKR-INIZCTEOSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001028333349 661462766 /nfs/dbraw/zinc/46/27/66/661462766.db2.gz IDMHBQLEYZVASH-HOCLYGCPSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001028333349 661462768 /nfs/dbraw/zinc/46/27/68/661462768.db2.gz IDMHBQLEYZVASH-HOCLYGCPSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727829 665346432 /nfs/dbraw/zinc/34/64/32/665346432.db2.gz VSPNOIJOJSKXMD-KRWDZBQOSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCCN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727829 665346436 /nfs/dbraw/zinc/34/64/36/665346436.db2.gz VSPNOIJOJSKXMD-KRWDZBQOSA-N 1 3 319.449 0.701 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)C[C@H]2C)CC1 ZINC000945185365 666578371 /nfs/dbraw/zinc/57/83/71/666578371.db2.gz ZXAYZSDQFWSAOG-WBVHZDCISA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@H]2C)CC1 ZINC000945185365 666578373 /nfs/dbraw/zinc/57/83/73/666578373.db2.gz ZXAYZSDQFWSAOG-WBVHZDCISA-N 1 3 321.465 0.805 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187054400 667456383 /nfs/dbraw/zinc/45/63/83/667456383.db2.gz FEIHSFASYUJUDU-ZDUSSCGKSA-N 1 3 318.487 0.590 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000837439708 671862065 /nfs/dbraw/zinc/86/20/65/671862065.db2.gz HSJAPWBCPDESSR-UHFFFAOYSA-N 1 3 323.485 0.267 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000837439708 671862068 /nfs/dbraw/zinc/86/20/68/671862068.db2.gz HSJAPWBCPDESSR-UHFFFAOYSA-N 1 3 323.485 0.267 20 30 DCEDHO C[NH+]=C(NCCN1CCOCC1)NCCN1CCCCCC1 ZINC000303907953 685207972 /nfs/dbraw/zinc/20/79/72/685207972.db2.gz XGTQBLYZCKMDOE-UHFFFAOYSA-N 1 3 311.474 0.360 20 30 DCEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001074757330 694920957 /nfs/dbraw/zinc/92/09/57/694920957.db2.gz XYKDYCVUYMUSRR-JOYVLCIYSA-N 1 3 305.422 0.615 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001571461863 1162769189 /nfs/dbraw/zinc/76/91/89/1162769189.db2.gz UGIOYPPYTJWIKK-UONOGXRCSA-N 1 3 310.442 0.209 20 30 DCEDHO C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001571492130 1162781994 /nfs/dbraw/zinc/78/19/94/1162781994.db2.gz ZZSRCHRHAJZIRM-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001571492130 1162782000 /nfs/dbraw/zinc/78/20/00/1162782000.db2.gz ZZSRCHRHAJZIRM-CABCVRRESA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565855 1162812597 /nfs/dbraw/zinc/81/25/97/1162812597.db2.gz HGQZKWMFVDQJPD-JKSUJKDBSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C 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AGBCHPGTZKTQDG-INMHGKMJSA-N 1 3 321.465 0.851 20 30 DCEDHO COCC#CC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001566717700 1160136228 /nfs/dbraw/zinc/13/62/28/1160136228.db2.gz UOQZNOWAOPPGTI-INIZCTEOSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001570153018 1161454098 /nfs/dbraw/zinc/45/40/98/1161454098.db2.gz CFZUPPHRIDEGEU-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCN(CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001656779495 1173882981 /nfs/dbraw/zinc/88/29/81/1173882981.db2.gz BDZXUGGYRGBJDJ-INIZCTEOSA-N 1 3 309.454 0.800 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001663014275 1174257830 /nfs/dbraw/zinc/25/78/30/1174257830.db2.gz QFTNUGCZAYNXSY-JKSUJKDBSA-N 1 3 321.465 0.853 20 30 DCEDHO C=CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620903 1174333549 /nfs/dbraw/zinc/33/35/49/1174333549.db2.gz RRKXWULCTCLQDJ-LSDHHAIUSA-N 1 3 322.453 0.163 20 30 DCEDHO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001667701583 1174703533 /nfs/dbraw/zinc/70/35/33/1174703533.db2.gz NJIPOLSHTBCODR-SJORKVTESA-N 1 3 321.465 0.899 20 30 DCEDHO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]21 ZINC001667701583 1174703539 /nfs/dbraw/zinc/70/35/39/1174703539.db2.gz NJIPOLSHTBCODR-SJORKVTESA-N 1 3 321.465 0.899 20 30 DCEDHO COCC#CCN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699013807 1177772565 /nfs/dbraw/zinc/77/25/65/1177772565.db2.gz AMWQWMAZRAIJJO-HOTGVXAUSA-N 1 3 307.438 0.511 20 30 DCEDHO C=CC[NH2+]CCN(CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001700038428 1178452865 /nfs/dbraw/zinc/45/28/65/1178452865.db2.gz HWRZAFZMCWDBGM-MRXNPFEDSA-N 1 3 315.433 0.795 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CO)[NH2+]CCC(C)C)CC1 ZINC001700809000 1178759761 /nfs/dbraw/zinc/75/97/61/1178759761.db2.gz WVEJVZNYSYPJKD-INIZCTEOSA-N 1 3 309.454 0.444 20 30 DCEDHO COCC#CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001713771634 1181055493 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DCEDHO COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001715188576 1181710888 /nfs/dbraw/zinc/71/08/88/1181710888.db2.gz HBCWTCFKCYOLGC-ULQDDVLXSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001715427512 1181810873 /nfs/dbraw/zinc/81/08/73/1181810873.db2.gz YBQMSQIEZBGFOV-GXTWGEPZSA-N 1 3 319.409 0.081 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](O)C[NH2+]CC2CCCC2)CC1 ZINC001715615727 1181901509 /nfs/dbraw/zinc/90/15/09/1181901509.db2.gz MQUIGJAVIHHQTM-KRWDZBQOSA-N 1 3 321.465 0.589 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001716771439 1182519793 /nfs/dbraw/zinc/51/97/93/1182519793.db2.gz VBSIIDMZWFLSGC-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001717642158 1182935209 /nfs/dbraw/zinc/93/52/09/1182935209.db2.gz LTFZQWVTNZPDOB-SHTZXODSSA-N 1 3 307.438 0.605 20 30 DCEDHO COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001724221621 1184402489 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0.947 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001274375549 951593898 /nfs/dbraw/zinc/59/38/98/951593898.db2.gz UKNONDVRMZFVTA-UHFFFAOYSA-N 1 3 319.409 0.225 20 30 DCEDHO C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001275180664 951989662 /nfs/dbraw/zinc/98/96/62/951989662.db2.gz YXPPHGKCNOKGDC-KBPBESRZSA-N 1 3 322.453 0.352 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001282193429 953520562 /nfs/dbraw/zinc/52/05/62/953520562.db2.gz QQPXTMTYAYTRTD-KGLIPLIRSA-N 1 3 324.469 0.197 20 30 DCEDHO N#CCCCC[C@@H]([NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001350405249 955086104 /nfs/dbraw/zinc/08/61/04/955086104.db2.gz MQKKTLBKWPRFHE-HUUCEWRRSA-N 1 3 308.426 0.767 20 30 DCEDHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC001401558666 1000495102 /nfs/dbraw/zinc/49/51/02/1000495102.db2.gz QOBSOAPPBPDFFT-AWEZNQCLSA-N 1 3 322.384 0.216 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001499954902 1018149548 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C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000491709816 416618603 /nfs/dbraw/zinc/61/86/03/416618603.db2.gz XINAWWKCQVLFPM-CVEARBPZSA-N 1 3 306.454 0.973 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000562800412 416870305 /nfs/dbraw/zinc/87/03/05/416870305.db2.gz QEWWTMWHWXKGBU-HNNXBMFYSA-N 1 3 309.458 0.311 20 30 DCEDHO CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262291685 277320589 /nfs/dbraw/zinc/32/05/89/277320589.db2.gz LLJZFVSIYPRUGH-HNNXBMFYSA-N 1 3 323.485 0.989 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000491475140 333104397 /nfs/dbraw/zinc/10/43/97/333104397.db2.gz UBGIKXLZBGTXOU-MRXNPFEDSA-N 1 3 307.438 0.295 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000491475140 333104399 /nfs/dbraw/zinc/10/43/99/333104399.db2.gz UBGIKXLZBGTXOU-MRXNPFEDSA-N 1 3 307.438 0.295 20 30 DCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000274346761 334060283 /nfs/dbraw/zinc/06/02/83/334060283.db2.gz 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ZINC001023762540 658217737 /nfs/dbraw/zinc/21/77/37/658217737.db2.gz ZEQIXEXDICAQTF-MRXNPFEDSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC001023762539 658218138 /nfs/dbraw/zinc/21/81/38/658218138.db2.gz ZEQIXEXDICAQTF-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCOC)C2)CC1 ZINC001023762539 658218145 /nfs/dbraw/zinc/21/81/45/658218145.db2.gz ZEQIXEXDICAQTF-INIZCTEOSA-N 1 3 321.465 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001023762330 658218278 /nfs/dbraw/zinc/21/82/78/658218278.db2.gz WQTMMXHDCZMGHN-MRXNPFEDSA-N 1 3 321.465 0.542 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001023762330 658218283 /nfs/dbraw/zinc/21/82/83/658218283.db2.gz WQTMMXHDCZMGHN-MRXNPFEDSA-N 1 3 321.465 0.542 20 30 DCEDHO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999759100 665683701 /nfs/dbraw/zinc/68/37/01/665683701.db2.gz AFXWHUFGNZMQAX-KRIMKBQASA-N 1 3 305.422 0.616 20 30 DCEDHO C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262437996 662385239 /nfs/dbraw/zinc/38/52/39/662385239.db2.gz GXHIKAJLYUYQKD-HNNXBMFYSA-N 1 3 321.469 0.648 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712432 665920487 /nfs/dbraw/zinc/92/04/87/665920487.db2.gz BBBWUACCYUNPDM-HZPDHXFCSA-N 1 3 305.422 0.784 20 30 DCEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000712432 665920490 /nfs/dbraw/zinc/92/04/90/665920490.db2.gz BBBWUACCYUNPDM-HZPDHXFCSA-N 1 3 305.422 0.784 20 30 DCEDHO CC1(C)C[NH2+]CC[C@H](NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358504 663410668 /nfs/dbraw/zinc/41/06/68/663410668.db2.gz CSIOIGUDSQABJV-VCHHOEMESA-N 1 3 306.410 0.881 20 30 DCEDHO CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033357295 666691026 /nfs/dbraw/zinc/69/10/26/666691026.db2.gz DKJYOADPHWLJNZ-CVEARBPZSA-N 1 3 307.438 0.652 20 30 DCEDHO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033357295 666691028 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C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000836284900 671822360 /nfs/dbraw/zinc/82/23/60/671822360.db2.gz WMBHCYUOXQBYOG-CABCVRRESA-N 1 3 308.426 0.104 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000836284900 671822364 /nfs/dbraw/zinc/82/23/64/671822364.db2.gz WMBHCYUOXQBYOG-CABCVRRESA-N 1 3 308.426 0.104 20 30 DCEDHO C=C(C)CN1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958170939 687402973 /nfs/dbraw/zinc/40/29/73/687402973.db2.gz CLVSJNPGJBVYQL-HZPDHXFCSA-N 1 3 321.465 0.847 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001009624975 691076808 /nfs/dbraw/zinc/07/68/08/691076808.db2.gz CBBZCRMFLGBGBU-GOEBONIOSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)O)C2)CC1 ZINC001009624975 691076812 /nfs/dbraw/zinc/07/68/12/691076812.db2.gz CBBZCRMFLGBGBU-GOEBONIOSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCO)C2)CC1 ZINC001571197446 1162679275 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C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001098471424 763040255 /nfs/dbraw/zinc/04/02/55/763040255.db2.gz DOAYRKBWMIXLAB-QGZVFWFLSA-N 1 3 323.481 0.881 20 30 DCEDHO C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001098471424 763040257 /nfs/dbraw/zinc/04/02/57/763040257.db2.gz DOAYRKBWMIXLAB-QGZVFWFLSA-N 1 3 323.481 0.881 20 30 DCEDHO COCC#CCNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622770 763404959 /nfs/dbraw/zinc/40/49/59/763404959.db2.gz ZWVVPCUGTKRJMP-UHFFFAOYSA-N 1 3 309.454 0.995 20 30 DCEDHO COCC#CCNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622770 763404968 /nfs/dbraw/zinc/40/49/68/763404968.db2.gz ZWVVPCUGTKRJMP-UHFFFAOYSA-N 1 3 309.454 0.995 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101037163 763930737 /nfs/dbraw/zinc/93/07/37/763930737.db2.gz BLXXLYPHPFZMNR-UHFFFAOYSA-N 1 3 310.442 0.113 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134773648 765666656 /nfs/dbraw/zinc/66/66/56/765666656.db2.gz 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/nfs/dbraw/zinc/37/17/38/769371738.db2.gz JOYJOZDASVAAQB-UHFFFAOYSA-N 1 3 324.469 0.625 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCCN2CC)C1=O ZINC001152457405 769563553 /nfs/dbraw/zinc/56/35/53/769563553.db2.gz DEYGLUAZOXOZSA-CABCVRRESA-N 1 3 322.453 0.354 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152457944 769565644 /nfs/dbraw/zinc/56/56/44/769565644.db2.gz JFDHQQFNQXWYGM-KGLIPLIRSA-N 1 3 310.442 0.257 20 30 DCEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001176926865 770227283 /nfs/dbraw/zinc/22/72/83/770227283.db2.gz YEDFZRJEVPSCQF-WBVHZDCISA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176992632 770282674 /nfs/dbraw/zinc/28/26/74/770282674.db2.gz WABXFFQGCXSPBU-HUUCEWRRSA-N 1 3 322.453 0.095 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576435 771670080 /nfs/dbraw/zinc/67/00/80/771670080.db2.gz MQGJIYQCJZLUTD-MRXNPFEDSA-N 1 3 319.449 0.703 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184800265 771828762 /nfs/dbraw/zinc/82/87/62/771828762.db2.gz SHAXBMXAVXLGJZ-CQSZACIVSA-N 1 3 322.453 0.354 20 30 DCEDHO CC#CCN1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162457909 772376566 /nfs/dbraw/zinc/37/65/66/772376566.db2.gz BBNKAWBIHRRRTO-UHFFFAOYSA-N 1 3 309.454 0.806 20 30 DCEDHO C[NH2+]C1CN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001163704585 772560250 /nfs/dbraw/zinc/56/02/50/772560250.db2.gz APXURGWMWLSTOA-NSHDSACASA-N 1 3 303.366 0.833 20 30 DCEDHO COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791724 772924655 /nfs/dbraw/zinc/92/46/55/772924655.db2.gz KIESFRJZRKPNIP-HZPDHXFCSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001205719279 773013125 /nfs/dbraw/zinc/01/31/25/773013125.db2.gz HJPYUZWXNCIEKN-PQUAAJSLSA-N 1 3 319.449 0.864 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454324 773467290 /nfs/dbraw/zinc/46/72/90/773467290.db2.gz VAEOMCLKFBKRLS-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208454324 773467292 /nfs/dbraw/zinc/46/72/92/773467292.db2.gz VAEOMCLKFBKRLS-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209641303 773628140 /nfs/dbraw/zinc/62/81/40/773628140.db2.gz IJJSNXNYKGYSFR-CVEARBPZSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001152324299 773722439 /nfs/dbraw/zinc/72/24/39/773722439.db2.gz OVYBNBBARVZBBO-JKSUJKDBSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001152330272 773730282 /nfs/dbraw/zinc/73/02/82/773730282.db2.gz KTCMNUIAHBKSCZ-INIZCTEOSA-N 1 3 321.465 0.854 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001152330729 773730659 /nfs/dbraw/zinc/73/06/59/773730659.db2.gz UGXGJGOSTHTUQT-AEFFLSMTSA-N 1 3 319.449 0.464 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773450 773736569 /nfs/dbraw/zinc/73/65/69/773736569.db2.gz JOHSTFCICADMBI-OAHLLOKOSA-N 1 3 324.469 0.601 20 30 DCEDHO C=CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773450 773736574 /nfs/dbraw/zinc/73/65/74/773736574.db2.gz JOHSTFCICADMBI-OAHLLOKOSA-N 1 3 324.469 0.601 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847534 774018844 /nfs/dbraw/zinc/01/88/44/774018844.db2.gz INZVHCZDUUYXLK-ZIAGYGMSSA-N 1 3 322.453 0.209 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC001218641978 774271429 /nfs/dbraw/zinc/27/14/29/774271429.db2.gz ZOQWJAFNXSWMAW-OAHLLOKOSA-N 1 3 310.361 0.928 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643578 774570165 /nfs/dbraw/zinc/57/01/65/774570165.db2.gz ZABIXKOARLXNTO-XHSDSOJGSA-N 1 3 307.438 0.456 20 30 DCEDHO N#Cc1cccc(C[C@H](N)C(=O)NC[C@@]2(F)CCC[NH2+]C2)c1 ZINC001219768902 774601997 /nfs/dbraw/zinc/60/19/97/774601997.db2.gz QLLLXZSNBPOONN-GOEBONIOSA-N 1 3 304.369 0.636 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830459 774623082 /nfs/dbraw/zinc/62/30/82/774623082.db2.gz XGXJJBYKGVJLOW-XHSDSOJGSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830459 774623086 /nfs/dbraw/zinc/62/30/86/774623086.db2.gz XGXJJBYKGVJLOW-XHSDSOJGSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830216 774623343 /nfs/dbraw/zinc/62/33/43/774623343.db2.gz RPKKJIIVYMUBGM-OAGGEKHMSA-N 1 3 309.454 0.988 20 30 DCEDHO C=C(C)CCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830216 774623346 /nfs/dbraw/zinc/62/33/46/774623346.db2.gz RPKKJIIVYMUBGM-OAGGEKHMSA-N 1 3 309.454 0.988 20 30 DCEDHO N=C(NC(=O)[C@H](N)CCC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001220634419 774872445 /nfs/dbraw/zinc/87/24/45/774872445.db2.gz NYQORGMCKZLMFP-CQSZACIVSA-N 1 3 300.362 0.844 20 30 DCEDHO N#Cc1ccc([C@H](N)CC(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220937360 774957590 /nfs/dbraw/zinc/95/75/90/774957590.db2.gz PVGDLRUCWBDAKN-LSDHHAIUSA-N 1 3 302.378 0.443 20 30 DCEDHO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832888 776204591 /nfs/dbraw/zinc/20/45/91/776204591.db2.gz ZTSPZDVXSULAOD-AIANPOQGSA-N 1 3 307.438 0.720 20 30 DCEDHO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832888 776204599 /nfs/dbraw/zinc/20/45/99/776204599.db2.gz ZTSPZDVXSULAOD-AIANPOQGSA-N 1 3 307.438 0.720 20 30 DCEDHO C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854269 945209553 /nfs/dbraw/zinc/20/95/53/945209553.db2.gz OOKRXZFHNXCYKW-LSDHHAIUSA-N 1 3 324.469 0.409 20 30 DCEDHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001267154811 939361860 /nfs/dbraw/zinc/36/18/60/939361860.db2.gz LEIDXBYQMRMMRQ-CVEARBPZSA-N 1 3 309.454 0.995 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267372322 939438691 /nfs/dbraw/zinc/43/86/91/939438691.db2.gz LSCYWAVAYKYUEK-LSDHHAIUSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267372322 939438693 /nfs/dbraw/zinc/43/86/93/939438693.db2.gz LSCYWAVAYKYUEK-LSDHHAIUSA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCNCCN(CCO)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001279753414 939632119 /nfs/dbraw/zinc/63/21/19/939632119.db2.gz LOQDGIFMRYXLED-UHFFFAOYSA-N 1 3 309.454 0.683 20 30 DCEDHO C#CCNCCN(CCO)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001279753414 939632121 /nfs/dbraw/zinc/63/21/21/939632121.db2.gz LOQDGIFMRYXLED-UHFFFAOYSA-N 1 3 309.454 0.683 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481319777 939746216 /nfs/dbraw/zinc/74/62/16/939746216.db2.gz NKTRXCRUARSBBQ-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001481319777 939746219 /nfs/dbraw/zinc/74/62/19/939746219.db2.gz NKTRXCRUARSBBQ-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO COCC#CCNC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268583106 940266639 /nfs/dbraw/zinc/26/66/39/940266639.db2.gz STKYHOGMJXNGBI-SWJNODNISA-N 1 3 307.438 0.629 20 30 DCEDHO COCC#CCNC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268583106 940266640 /nfs/dbraw/zinc/26/66/40/940266640.db2.gz STKYHOGMJXNGBI-SWJNODNISA-N 1 3 307.438 0.629 20 30 DCEDHO C#CCN1C(=O)C[C@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001273143262 945316019 /nfs/dbraw/zinc/31/60/19/945316019.db2.gz DQJWUHYQAIFVMP-YJBOKZPZSA-N 1 3 317.433 0.803 20 30 DCEDHO C#CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001273143262 945316023 /nfs/dbraw/zinc/31/60/23/945316023.db2.gz DQJWUHYQAIFVMP-YJBOKZPZSA-N 1 3 317.433 0.803 20 30 DCEDHO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001273143258 945316457 /nfs/dbraw/zinc/31/64/57/945316457.db2.gz DQJWUHYQAIFVMP-MAUKXSAKSA-N 1 3 317.433 0.803 20 30 DCEDHO C#CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCCN(C)C3)C2)C1=O ZINC001273143258 945316464 /nfs/dbraw/zinc/31/64/64/945316464.db2.gz DQJWUHYQAIFVMP-MAUKXSAKSA-N 1 3 317.433 0.803 20 30 DCEDHO C=CCNC(=O)CNC[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339026 941005343 /nfs/dbraw/zinc/00/53/43/941005343.db2.gz MIFOKURLQWPVMZ-AWEZNQCLSA-N 1 3 324.469 0.457 20 30 DCEDHO C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001484849857 943595616 /nfs/dbraw/zinc/59/56/16/943595616.db2.gz ZTGZTWSULDZAQR-WBVHZDCISA-N 1 3 309.454 0.847 20 30 DCEDHO CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001485604314 944027630 /nfs/dbraw/zinc/02/76/30/944027630.db2.gz VESMAKAJKGWEJF-LVQVYYBASA-N 1 3 309.429 0.984 20 30 DCEDHO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001485604314 944027639 /nfs/dbraw/zinc/02/76/39/944027639.db2.gz VESMAKAJKGWEJF-LVQVYYBASA-N 1 3 309.429 0.984 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001278809829 946429862 /nfs/dbraw/zinc/42/98/62/946429862.db2.gz HOXJETIKHXSZKN-AEFFLSMTSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001278809829 946429867 /nfs/dbraw/zinc/42/98/67/946429867.db2.gz HOXJETIKHXSZKN-AEFFLSMTSA-N 1 3 321.465 0.827 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001273465709 947905038 /nfs/dbraw/zinc/90/50/38/947905038.db2.gz LTVHZAWIEFBKJV-IRXDYDNUSA-N 1 3 321.465 0.949 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001273465709 947905046 /nfs/dbraw/zinc/90/50/46/947905046.db2.gz LTVHZAWIEFBKJV-IRXDYDNUSA-N 1 3 321.465 0.949 20 30 DCEDHO C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001273909821 948674412 /nfs/dbraw/zinc/67/44/12/948674412.db2.gz BIDLJWHDGSVUMG-WBVHZDCISA-N 1 3 309.454 0.847 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001488804664 949199425 /nfs/dbraw/zinc/19/94/25/949199425.db2.gz MLQPYAHHGYRDMS-VQHPVUNQSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CCN1CCN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265245049 949490771 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0.455 20 30 DCEDHO CCC1([NH2+]CC#CCOC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484816978 943587216 /nfs/dbraw/zinc/58/72/16/943587216.db2.gz VGYXRMFYZYOAKL-UHFFFAOYSA-N 1 3 318.421 0.963 20 30 DCEDHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001491022905 943715008 /nfs/dbraw/zinc/71/50/08/943715008.db2.gz ISWMSHFXOBMJLC-ZNMIVQPWSA-N 1 3 313.417 0.553 20 30 DCEDHO C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001486476925 944912619 /nfs/dbraw/zinc/91/26/19/944912619.db2.gz TUKYJGNCDWKVKA-WLYUNCDWSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001317415311 944959427 /nfs/dbraw/zinc/95/94/27/944959427.db2.gz JNSISJACTFNAHX-HIFRSBDPSA-N 1 3 322.453 0.080 20 30 DCEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001318525529 945394651 /nfs/dbraw/zinc/39/46/51/945394651.db2.gz XQXSUMWCCHAQRZ-LSDHHAIUSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001318525529 945394658 /nfs/dbraw/zinc/39/46/58/945394658.db2.gz XQXSUMWCCHAQRZ-LSDHHAIUSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001319285610 945540657 /nfs/dbraw/zinc/54/06/57/945540657.db2.gz NHKBOPRYRKEVSD-HZPDHXFCSA-N 1 3 321.465 0.710 20 30 DCEDHO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320272865 945798825 /nfs/dbraw/zinc/79/88/25/945798825.db2.gz JTBKSSDTHKUXKJ-CJNGLKHVSA-N 1 3 315.433 0.842 20 30 DCEDHO C#CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001251896995 945812221 /nfs/dbraw/zinc/81/22/21/945812221.db2.gz RPESUKWCDIZDED-SFHVURJKSA-N 1 3 317.433 0.894 20 30 DCEDHO CCN(CC[NH2+]CC#CCOC)C(=O)CN1CCC(C)CC1 ZINC001320876575 946051604 /nfs/dbraw/zinc/05/16/04/946051604.db2.gz OIVRWMDCNXUPRC-UHFFFAOYSA-N 1 3 309.454 0.806 20 30 DCEDHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]C[C@H](C)OC)CC1 ZINC001321418184 946324045 /nfs/dbraw/zinc/32/40/45/946324045.db2.gz XTGZBMQLJXBUFI-NFAHFFEMSA-N 1 3 307.438 0.629 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+][C@H](C)COC)CC2)CC1 ZINC001323616078 947145840 /nfs/dbraw/zinc/14/58/40/947145840.db2.gz HBSNQVYNRWBDHR-CQSZACIVSA-N 1 3 307.438 0.605 20 30 DCEDHO C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001324439057 947426106 /nfs/dbraw/zinc/42/61/06/947426106.db2.gz FMKFDNJZXWALRV-INIZCTEOSA-N 1 3 321.465 0.901 20 30 DCEDHO C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCOCC)CC1 ZINC001324439057 947426115 /nfs/dbraw/zinc/42/61/15/947426115.db2.gz FMKFDNJZXWALRV-INIZCTEOSA-N 1 3 321.465 0.901 20 30 DCEDHO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001325100389 947652504 /nfs/dbraw/zinc/65/25/04/947652504.db2.gz ADPZROYSDADPMD-DOTOQJQBSA-N 1 3 309.454 0.990 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2CCC)C1 ZINC001325100389 947652514 /nfs/dbraw/zinc/65/25/14/947652514.db2.gz ADPZROYSDADPMD-DOTOQJQBSA-N 1 3 309.454 0.990 20 30 DCEDHO C#CCNC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001327048673 948379442 /nfs/dbraw/zinc/37/94/42/948379442.db2.gz MRPLUCJEFFEFSC-INIZCTEOSA-N 1 3 307.438 0.557 20 30 DCEDHO CC#CC[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCOCC1 ZINC001327638346 948580999 /nfs/dbraw/zinc/58/09/99/948580999.db2.gz HQKKNLURJMHNSI-UHFFFAOYSA-N 1 3 307.438 0.749 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001488770617 949165471 /nfs/dbraw/zinc/16/54/71/949165471.db2.gz BXAFBMMHTVTUFJ-KFWWJZLASA-N 1 3 322.453 0.115 20 30 DCEDHO COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001488880127 949345792 /nfs/dbraw/zinc/34/57/92/949345792.db2.gz MLQPYAHHGYRDMS-QBPKDAKJSA-N 1 3 321.465 0.993 20 30 DCEDHO C#CCN1CCC(C(=O)NCCN2CC[NH+](CCC)CC2)CC1 ZINC001265266719 949519492 /nfs/dbraw/zinc/51/94/92/949519492.db2.gz YNGMSTNHWDSRCD-UHFFFAOYSA-N 1 3 320.481 0.475 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001265681507 949869999 /nfs/dbraw/zinc/86/99/99/949869999.db2.gz BILWFNBRZGGGIP-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO N#CCCCC[C@H](N)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001330640275 950565571 /nfs/dbraw/zinc/56/55/71/950565571.db2.gz DPHDRJFAWVKLTI-DCAQKATOSA-N 1 3 306.332 0.993 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331156325 950971380 /nfs/dbraw/zinc/97/13/80/950971380.db2.gz VSHPQPRMRPJCKV-OCCSQVGLSA-N 1 3 308.426 0.139 20 30 DCEDHO COCC#CCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770699 951078983 /nfs/dbraw/zinc/07/89/83/951078983.db2.gz VWCHWMIOVZZGCD-INIZCTEOSA-N 1 3 319.449 0.703 20 30 DCEDHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001332437877 951644495 /nfs/dbraw/zinc/64/44/95/951644495.db2.gz OAPKISXGUYQPOV-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC#CCOC)C(C)(C)C1 ZINC001332437877 951644499 /nfs/dbraw/zinc/64/44/99/951644499.db2.gz OAPKISXGUYQPOV-OAHLLOKOSA-N 1 3 309.454 0.805 20 30 DCEDHO C=CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502769 952205855 /nfs/dbraw/zinc/20/58/55/952205855.db2.gz NYGVCAZTJVNIJU-KGLIPLIRSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CC[C@]1(C(=O)N=c2nc(C3CC[NH2+]CC3)[nH]n2C)CCCN1 ZINC001341807431 953251008 /nfs/dbraw/zinc/25/10/08/953251008.db2.gz GKJJWIAOEXIJTA-MRXNPFEDSA-N 1 3 318.425 0.341 20 30 DCEDHO COC(=O)C1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001345753883 953715116 /nfs/dbraw/zinc/71/51/16/953715116.db2.gz OCIFGMJLFDMVGQ-AWEZNQCLSA-N 1 3 324.425 0.399 20 30 DCEDHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001367625544 958209349 /nfs/dbraw/zinc/20/93/49/958209349.db2.gz SWSCPQHMUSEWBA-HZPDHXFCSA-N 1 3 318.421 0.465 20 30 DCEDHO C=CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001507117809 1015999027 /nfs/dbraw/zinc/99/90/27/1015999027.db2.gz JAYJACSSQUGPFG-KBPBESRZSA-N 1 3 310.442 0.162 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001507155036 1016039104 /nfs/dbraw/zinc/03/91/04/1016039104.db2.gz PXLAEUDCDMZNCY-ZIAGYGMSSA-N 1 3 310.442 0.209 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001505412152 1016218865 /nfs/dbraw/zinc/21/88/65/1016218865.db2.gz RNWKBUHLSOUJPY-INIZCTEOSA-N 1 3 309.454 0.947 20 30 DCEDHO COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321067 1016250912 /nfs/dbraw/zinc/25/09/12/1016250912.db2.gz PEDDZNCHVPOROB-HUUCEWRRSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001507452206 1016336101 /nfs/dbraw/zinc/33/61/01/1016336101.db2.gz ITMLFNRHODMGKS-LSDHHAIUSA-N 1 3 307.438 0.415 20 30 DCEDHO COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001507452206 1016336110 /nfs/dbraw/zinc/33/61/10/1016336110.db2.gz ITMLFNRHODMGKS-LSDHHAIUSA-N 1 3 307.438 0.415 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001499926857 1018139137 /nfs/dbraw/zinc/13/91/37/1018139137.db2.gz UIVIUVFTMGNXQL-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001499926857 1018139142 /nfs/dbraw/zinc/13/91/42/1018139142.db2.gz UIVIUVFTMGNXQL-CABCVRRESA-N 1 3 322.453 0.211 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001480067228 1018178406 /nfs/dbraw/zinc/17/84/06/1018178406.db2.gz YHNINIIHATWYSX-WMLDXEAASA-N 1 3 321.465 0.851 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001480368452 1018469473 /nfs/dbraw/zinc/46/94/73/1018469473.db2.gz XEJRDEMKVLMCHE-OAHLLOKOSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001480770171 1018887823 /nfs/dbraw/zinc/88/78/23/1018887823.db2.gz PIAFHNRUINDWDO-KGLIPLIRSA-N 1 3 322.453 0.093 20 30 DCEDHO C#CCCN1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001501359476 1019090990 /nfs/dbraw/zinc/09/09/90/1019090990.db2.gz DHKKBCHXLTWBEA-KRWDZBQOSA-N 1 3 309.454 0.685 20 30 DCEDHO C#CCCN1CCC[C@](CO)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001501359476 1019091005 /nfs/dbraw/zinc/09/10/05/1019091005.db2.gz DHKKBCHXLTWBEA-KRWDZBQOSA-N 1 3 309.454 0.685 20 30 DCEDHO COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501647649 1019354627 /nfs/dbraw/zinc/35/46/27/1019354627.db2.gz MZMGVGRFBWCXOY-INIZCTEOSA-N 1 3 307.438 0.560 20 30 DCEDHO C=CCCN1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001494108484 1019987645 /nfs/dbraw/zinc/98/76/45/1019987645.db2.gz PUEOBMNZOQVDID-INIZCTEOSA-N 1 3 308.470 0.590 20 30 DCEDHO C=CCCN1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001494108484 1019987649 /nfs/dbraw/zinc/98/76/49/1019987649.db2.gz PUEOBMNZOQVDID-INIZCTEOSA-N 1 3 308.470 0.590 20 30 DCEDHO C[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000591361250 396909084 /nfs/dbraw/zinc/90/90/84/396909084.db2.gz OLBUIRVVFFDNSV-CYBMUJFWSA-N 1 3 303.410 0.979 20 30 DCEDHO CC[NH+]1CCC(NC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000331238753 416294144 /nfs/dbraw/zinc/29/41/44/416294144.db2.gz IKEIOAARXFEPMC-UHFFFAOYSA-N 1 3 308.430 1.255 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419725354 416406493 /nfs/dbraw/zinc/40/64/93/416406493.db2.gz IIXPQOONTOCPEI-ZFWWWQNUSA-N 1 3 322.453 0.387 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419727857 416406744 /nfs/dbraw/zinc/40/67/44/416406744.db2.gz LZBKXEZGRGCVIC-OAHLLOKOSA-N 1 3 322.453 0.483 20 30 DCEDHO C#CCNC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000491167149 416589177 /nfs/dbraw/zinc/58/91/77/416589177.db2.gz WNGOJNRBRXQKOC-UHFFFAOYSA-N 1 3 320.481 0.475 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659707292 418154497 /nfs/dbraw/zinc/15/44/97/418154497.db2.gz UJOHNQVFEYVXRE-UHFFFAOYSA-N 1 3 320.437 0.093 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000570028657 332704180 /nfs/dbraw/zinc/70/41/80/332704180.db2.gz FDMQSPLNMXNABO-OAHLLOKOSA-N 1 3 310.442 0.705 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1F ZINC000269476102 529100627 /nfs/dbraw/zinc/10/06/27/529100627.db2.gz NDBOQZVIGHZFHY-LBPRGKRZSA-N 1 3 309.389 0.988 20 30 DCEDHO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559144 660561919 /nfs/dbraw/zinc/56/19/19/660561919.db2.gz PJIJURNTEPKLBD-UEIJKTBSSA-N 1 3 317.433 0.330 20 30 DCEDHO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559144 660561920 /nfs/dbraw/zinc/56/19/20/660561920.db2.gz PJIJURNTEPKLBD-UEIJKTBSSA-N 1 3 317.433 0.330 20 30 DCEDHO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CCN(CC#C)CC2)C1 ZINC000981540533 661169430 /nfs/dbraw/zinc/16/94/30/661169430.db2.gz DPOATFFRYSSVPZ-DLBZAZTESA-N 1 3 301.434 0.982 20 30 DCEDHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698228 661764652 /nfs/dbraw/zinc/76/46/52/661764652.db2.gz DLHAUUHKUYBMRE-UERKLNTKSA-N 1 3 319.449 0.864 20 30 DCEDHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698228 661764653 /nfs/dbraw/zinc/76/46/53/661764653.db2.gz DLHAUUHKUYBMRE-UERKLNTKSA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003004 661930185 /nfs/dbraw/zinc/93/01/85/661930185.db2.gz GMFXIHMFXIFZLO-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003004 661930192 /nfs/dbraw/zinc/93/01/92/661930192.db2.gz GMFXIHMFXIFZLO-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304690412 662465994 /nfs/dbraw/zinc/46/59/94/662465994.db2.gz HCCZSUGQFYRXGI-AWEZNQCLSA-N 1 3 309.458 0.681 20 30 DCEDHO C=C(CC[NH+](C)C)C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909311479 663794236 /nfs/dbraw/zinc/79/42/36/663794236.db2.gz DJKNCXPRPZFFPA-UHFFFAOYSA-N 1 3 310.442 0.213 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911236419 664008951 /nfs/dbraw/zinc/00/89/51/664008951.db2.gz QTACHEFJWZTUMB-GUYCJALGSA-N 1 3 320.437 0.093 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000911235296 664012647 /nfs/dbraw/zinc/01/26/47/664012647.db2.gz BHLUOYPYDSKSCS-ZIAGYGMSSA-N 1 3 322.453 0.196 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000945184228 666580455 /nfs/dbraw/zinc/58/04/55/666580455.db2.gz 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ZINC001283617890 954486028 /nfs/dbraw/zinc/48/60/28/954486028.db2.gz MYFUBPUSVBWGAF-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516738 956099605 /nfs/dbraw/zinc/09/96/05/956099605.db2.gz XIVKKZSADSRYHI-ZIAGYGMSSA-N 1 3 324.469 0.646 20 30 DCEDHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383181 964865198 /nfs/dbraw/zinc/86/51/98/964865198.db2.gz MOJNEXHNYHNZLU-HOTGVXAUSA-N 1 3 316.405 0.077 20 30 DCEDHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(C#N)cc2)C1 ZINC001369383181 964865205 /nfs/dbraw/zinc/86/52/05/964865205.db2.gz MOJNEXHNYHNZLU-HOTGVXAUSA-N 1 3 316.405 0.077 20 30 DCEDHO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001507507902 1016433492 /nfs/dbraw/zinc/43/34/92/1016433492.db2.gz WFKRIEQXEIVFAS-JKSUJKDBSA-N 1 3 309.454 0.682 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001506907366 1017656929 /nfs/dbraw/zinc/65/69/29/1017656929.db2.gz RGSYEDBTYDLWCD-BRWVUGGUSA-N 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C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)CN(C)C ZINC000291872864 415836430 /nfs/dbraw/zinc/83/64/30/415836430.db2.gz HNHPJRDRSJNYCJ-CYBMUJFWSA-N 1 3 305.430 0.111 20 30 DCEDHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC(O)C1 ZINC000329447702 416170369 /nfs/dbraw/zinc/17/03/69/416170369.db2.gz BVILZUKIIYTCLL-UHFFFAOYSA-N 1 3 324.469 0.914 20 30 DCEDHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000329652816 416183745 /nfs/dbraw/zinc/18/37/45/416183745.db2.gz DNQISVIYZIQRCC-RRFJBIMHSA-N 1 3 310.442 0.838 20 30 DCEDHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000329652816 416183748 /nfs/dbraw/zinc/18/37/48/416183748.db2.gz DNQISVIYZIQRCC-RRFJBIMHSA-N 1 3 310.442 0.838 20 30 DCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000491694031 416615510 /nfs/dbraw/zinc/61/55/10/416615510.db2.gz FAXGZKONHNZXMH-UHFFFAOYSA-N 1 3 316.405 0.416 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000569093054 417213760 /nfs/dbraw/zinc/21/37/60/417213760.db2.gz 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DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001716771440 1182519485 /nfs/dbraw/zinc/51/94/85/1182519485.db2.gz VBSIIDMZWFLSGC-HUUCEWRRSA-N 1 3 322.453 0.354 20 30 DCEDHO COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001716874576 1182555508 /nfs/dbraw/zinc/55/55/08/1182555508.db2.gz MGJXRXMGSPDRPV-FUHWJXTLSA-N 1 3 321.465 0.806 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001716975336 1182608058 /nfs/dbraw/zinc/60/80/58/1182608058.db2.gz LQYJDAIABVSJCY-HUUCEWRRSA-N 1 3 324.469 0.455 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001717279170 1182764143 /nfs/dbraw/zinc/76/41/43/1182764143.db2.gz INZVHCZDUUYXLK-KGLIPLIRSA-N 1 3 322.453 0.209 20 30 DCEDHO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001717588264 1182912195 /nfs/dbraw/zinc/91/21/95/1182912195.db2.gz WTGFVQCKHYKBFC-HZPDHXFCSA-N 1 3 321.465 0.805 20 30 DCEDHO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001717588264 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0.465 20 30 DCEDHO CC#CCN[C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484841367 943590568 /nfs/dbraw/zinc/59/05/68/943590568.db2.gz HUSPACNNZLLEIR-AEFFLSMTSA-N 1 3 321.465 0.827 20 30 DCEDHO CC#CCN[C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484841367 943590574 /nfs/dbraw/zinc/59/05/74/943590574.db2.gz HUSPACNNZLLEIR-AEFFLSMTSA-N 1 3 321.465 0.827 20 30 DCEDHO COCC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130402 944584648 /nfs/dbraw/zinc/58/46/48/944584648.db2.gz RFMHKCHSFGYQPN-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001318529388 945394086 /nfs/dbraw/zinc/39/40/86/945394086.db2.gz KZAWOHZRUOAUFU-HZPDHXFCSA-N 1 3 309.454 0.995 20 30 DCEDHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C#N)C3)C[C@@H]1CNCCC2 ZINC001246601746 945441784 /nfs/dbraw/zinc/44/17/84/945441784.db2.gz GPTUUBUXOCDZRL-JKQORVJESA-N 1 3 320.437 0.495 20 30 DCEDHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCN[C@H](C#N)C3)C[C@@H]1CNCCC2 ZINC001246601746 945441791 /nfs/dbraw/zinc/44/17/91/945441791.db2.gz GPTUUBUXOCDZRL-JKQORVJESA-N 1 3 320.437 0.495 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)CC1 ZINC001273201038 945777789 /nfs/dbraw/zinc/77/77/89/945777789.db2.gz INPZPTKAYWAVML-AWEZNQCLSA-N 1 3 307.438 0.341 20 30 DCEDHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H](C)OC)CC1 ZINC001321418183 946322271 /nfs/dbraw/zinc/32/22/71/946322271.db2.gz XTGZBMQLJXBUFI-LLYBFZRZSA-N 1 3 307.438 0.629 20 30 DCEDHO C=CCNC(=O)NC(=O)[C@@H](C)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261492724 947319849 /nfs/dbraw/zinc/31/98/49/947319849.db2.gz ROBPFVTXZOUHSD-CYBMUJFWSA-N 1 3 308.426 0.852 20 30 DCEDHO C#CCN1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001273456643 947738677 /nfs/dbraw/zinc/73/86/77/947738677.db2.gz KWZKMANNLZZEMY-OAHLLOKOSA-N 1 3 307.438 0.701 20 30 DCEDHO C=C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273880838 948651818 /nfs/dbraw/zinc/65/18/18/948651818.db2.gz GPLJYHNWRRBCLR-DOTOQJQBSA-N 1 3 309.454 0.800 20 30 DCEDHO C=C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273880838 948651821 /nfs/dbraw/zinc/65/18/21/948651821.db2.gz GPLJYHNWRRBCLR-DOTOQJQBSA-N 1 3 309.454 0.800 20 30 DCEDHO C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001328155720 948725003 /nfs/dbraw/zinc/72/50/03/948725003.db2.gz LQQGFRVISSBNPU-HNNXBMFYSA-N 1 3 309.454 0.990 20 30 DCEDHO COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001264657051 949056783 /nfs/dbraw/zinc/05/67/83/949056783.db2.gz KUFGSHUCOGCYAW-IKGGRYGDSA-N 1 3 319.449 0.368 20 30 DCEDHO COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264657051 949056802 /nfs/dbraw/zinc/05/68/02/949056802.db2.gz KUFGSHUCOGCYAW-IKGGRYGDSA-N 1 3 319.449 0.368 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360025 950310522 /nfs/dbraw/zinc/31/05/22/950310522.db2.gz MPULRLQTZUMTNW-LUKYLMHMSA-N 1 3 319.449 0.272 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360025 950310542 /nfs/dbraw/zinc/31/05/42/950310542.db2.gz MPULRLQTZUMTNW-LUKYLMHMSA-N 1 3 319.449 0.272 20 30 DCEDHO C=C[C@@](C)(O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001274615851 951741135 /nfs/dbraw/zinc/74/11/35/951741135.db2.gz WZHRGNOZAFXHCM-SJORKVTESA-N 1 3 309.454 0.942 20 30 DCEDHO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001274615851 951741140 /nfs/dbraw/zinc/74/11/40/951741140.db2.gz WZHRGNOZAFXHCM-SJORKVTESA-N 1 3 309.454 0.942 20 30 DCEDHO C#CCNC(=O)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335899804 952616968 /nfs/dbraw/zinc/61/69/68/952616968.db2.gz ZOPVGVHCHZGTCA-GOSISDBHSA-N 1 3 315.417 0.353 20 30 DCEDHO C#CCNC(=O)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335899804 952616972 /nfs/dbraw/zinc/61/69/72/952616972.db2.gz ZOPVGVHCHZGTCA-GOSISDBHSA-N 1 3 315.417 0.353 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001283111412 954020686 /nfs/dbraw/zinc/02/06/86/954020686.db2.gz ROHKSGQYFPTUIM-QAETUUGQSA-N 1 3 321.465 0.993 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001502720941 1016040066 /nfs/dbraw/zinc/04/00/66/1016040066.db2.gz KMISCQDHHDWVSS-HIFRSBDPSA-N 1 3 322.453 0.209 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001507428607 1016322587 /nfs/dbraw/zinc/32/25/87/1016322587.db2.gz SIPAFRSMXWRVJN-RDJZCZTQSA-N 1 3 321.465 0.589 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCOCC)CC1 ZINC001505762165 1016531524 /nfs/dbraw/zinc/53/15/24/1016531524.db2.gz YKHAIADMPAFFFR-LSDHHAIUSA-N 1 3 309.454 0.851 20 30 DCEDHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC#CCN(C)C ZINC001471629783 1016611599 /nfs/dbraw/zinc/61/15/99/1016611599.db2.gz JRUJTODLEQDEQR-HNNXBMFYSA-N 1 3 315.421 0.867 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001480142694 1018248861 /nfs/dbraw/zinc/24/88/61/1018248861.db2.gz TWNFKOGMYYOPOA-MGPQQGTHSA-N 1 3 322.453 0.398 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001495474047 1018525714 /nfs/dbraw/zinc/52/57/14/1018525714.db2.gz FCDDANIAUOSWAX-RBSFLKMASA-N 1 3 322.453 0.093 20 30 DCEDHO CN1CC[C@@](O)(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262280462 529800220 /nfs/dbraw/zinc/80/02/20/529800220.db2.gz IYQOXUXUMXJKEP-MRXNPFEDSA-N 1 3 320.393 0.641 20 30 DCEDHO CN(C)C(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000178567293 237232149 /nfs/dbraw/zinc/23/21/49/237232149.db2.gz WSZRPOKEVZSDEN-OAHLLOKOSA-N 1 3 317.437 0.760 20 30 DCEDHO CC(C)C[C@H](NC(=O)C(C)C#N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000597692547 397065893 /nfs/dbraw/zinc/06/58/93/397065893.db2.gz PUYCAQFMYKXEQX-MCIONIFRSA-N 1 3 308.426 0.839 20 30 DCEDHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000329523995 416175445 /nfs/dbraw/zinc/17/54/45/416175445.db2.gz QFVQYNWVEXSUAU-KGLIPLIRSA-N 1 3 310.442 0.574 20 30 DCEDHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000329523995 416175448 /nfs/dbraw/zinc/17/54/48/416175448.db2.gz QFVQYNWVEXSUAU-KGLIPLIRSA-N 1 3 310.442 0.574 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000491709817 416618617 /nfs/dbraw/zinc/61/86/17/416618617.db2.gz XINAWWKCQVLFPM-HOTGVXAUSA-N 1 3 306.454 0.973 20 30 DCEDHO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CCN(C)CC1 ZINC000565714343 417011769 /nfs/dbraw/zinc/01/17/69/417011769.db2.gz IWLPCMMJRXICJY-LSDHHAIUSA-N 1 3 309.458 0.396 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576874654 417645159 /nfs/dbraw/zinc/64/51/59/417645159.db2.gz ACRIYHDXNHQAFI-CHWSQXEVSA-N 1 3 310.442 0.385 20 30 DCEDHO C=CCN1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652147180 417851779 /nfs/dbraw/zinc/85/17/79/417851779.db2.gz LDWOFBPMOQZHAH-UKRRQHHQSA-N 1 3 310.442 0.642 20 30 DCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418358061 262275497 /nfs/dbraw/zinc/27/54/97/262275497.db2.gz DKBGLLYLABMKNB-INIZCTEOSA-N 1 3 315.421 0.993 20 30 DCEDHO CN(C)CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303694180 340342874 /nfs/dbraw/zinc/34/28/74/340342874.db2.gz CQRDMASZNPKBHC-UHFFFAOYSA-N 1 3 313.446 0.806 20 30 DCEDHO C[C@H]1C[NH+]=C(NCc2ccc(CN3CCN(C)CC3)cc2)N1 ZINC000262642851 533989570 /nfs/dbraw/zinc/98/95/70/533989570.db2.gz IDXNNDPXZWHSSL-AWEZNQCLSA-N 1 3 301.438 0.871 20 30 DCEDHO C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262478554 526347749 /nfs/dbraw/zinc/34/77/49/526347749.db2.gz QTSJRRWGEGXTMW-AWEZNQCLSA-N 1 3 307.442 0.401 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001023761917 658216980 /nfs/dbraw/zinc/21/69/80/658216980.db2.gz MHSVXKCQMHGUDR-HNNXBMFYSA-N 1 3 307.438 0.152 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC001023761917 658216986 /nfs/dbraw/zinc/21/69/86/658216986.db2.gz MHSVXKCQMHGUDR-HNNXBMFYSA-N 1 3 307.438 0.152 20 30 DCEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799061 659565334 /nfs/dbraw/zinc/56/53/34/659565334.db2.gz REMFUFQRYVSGAC-LJIZCISZSA-N 1 3 305.422 0.472 20 30 DCEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799061 659565337 /nfs/dbraw/zinc/56/53/37/659565337.db2.gz REMFUFQRYVSGAC-LJIZCISZSA-N 1 3 305.422 0.472 20 30 DCEDHO C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000900562436 663255153 /nfs/dbraw/zinc/25/51/53/663255153.db2.gz XKTVLKWRLFXMFC-UHFFFAOYSA-N 1 3 322.453 0.261 20 30 DCEDHO CC1(C)C[NH2+]CC[C@@H](NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358507 663410692 /nfs/dbraw/zinc/41/06/92/663410692.db2.gz CSIOIGUDSQABJV-XROPSADXSA-N 1 3 306.410 0.881 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911236029 664008931 /nfs/dbraw/zinc/00/89/31/664008931.db2.gz LHQIUSJCPIYNQS-OAHLLOKOSA-N 1 3 322.453 0.401 20 30 DCEDHO C=CC[NH+]1CCC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001647177 666082242 /nfs/dbraw/zinc/08/22/42/666082242.db2.gz TZWAXXVZBQOUTI-PQUAAJSLSA-N 1 3 319.449 0.864 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001032207470 666452430 /nfs/dbraw/zinc/45/24/30/666452430.db2.gz RYZGMEYSRGUMJW-AWEZNQCLSA-N 1 3 307.438 0.415 20 30 DCEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996068442 666736624 /nfs/dbraw/zinc/73/66/24/666736624.db2.gz GVVGVDIKHSXJCE-DGSCNEQVSA-N 1 3 319.449 0.862 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001033687500 666795841 /nfs/dbraw/zinc/79/58/41/666795841.db2.gz HTEWAYAKQOOAHN-ZBFHGGJFSA-N 1 3 307.438 0.245 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001033687500 666795843 /nfs/dbraw/zinc/79/58/43/666795843.db2.gz HTEWAYAKQOOAHN-ZBFHGGJFSA-N 1 3 307.438 0.245 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC001034045185 666906448 /nfs/dbraw/zinc/90/64/48/666906448.db2.gz HPOLCYCZUAITJX-KRWDZBQOSA-N 1 3 321.465 0.901 20 30 DCEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001034045185 666906449 /nfs/dbraw/zinc/90/64/49/666906449.db2.gz HPOLCYCZUAITJX-KRWDZBQOSA-N 1 3 321.465 0.901 20 30 DCEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000884208349 667499314 /nfs/dbraw/zinc/49/93/14/667499314.db2.gz XQENAHQXACRPJK-QJNCVLDKSA-N 1 3 318.421 0.105 20 30 DCEDHO C=CCC[C@H](O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377847 667520425 /nfs/dbraw/zinc/52/04/25/667520425.db2.gz PZJHCGXXLGYGEW-XHSDSOJGSA-N 1 3 322.453 0.534 20 30 DCEDHO N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CC[NH2+]C13CCCC3)C2 ZINC000884376737 667534188 /nfs/dbraw/zinc/53/41/88/667534188.db2.gz PLEWCFBHJLUZTF-WJEHIRDRSA-N 1 3 302.422 0.917 20 30 DCEDHO C#CCNC(=O)c1ccc(NCC[N@@H+](C)CCCN(C)C)nc1 ZINC000853798478 671267748 /nfs/dbraw/zinc/26/77/48/671267748.db2.gz HMDPDPQXAQHRGS-UHFFFAOYSA-N 1 3 317.437 0.740 20 30 DCEDHO C#CCNC(=O)c1ccc(NCC[N@H+](C)CCCN(C)C)nc1 ZINC000853798478 671267749 /nfs/dbraw/zinc/26/77/49/671267749.db2.gz HMDPDPQXAQHRGS-UHFFFAOYSA-N 1 3 317.437 0.740 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723224 687875664 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COCC#CCN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691154523 1157600735 /nfs/dbraw/zinc/60/07/35/1157600735.db2.gz QNLFTKSVUJVJEU-ULQDDVLXSA-N 1 3 321.465 0.805 20 30 DCEDHO COCC#CCN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691154523 1157600742 /nfs/dbraw/zinc/60/07/42/1157600742.db2.gz QNLFTKSVUJVJEU-ULQDDVLXSA-N 1 3 321.465 0.805 20 30 DCEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1OCC ZINC001691323424 1157642751 /nfs/dbraw/zinc/64/27/51/1157642751.db2.gz KOPUBHQTSLRUEI-BZUAXINKSA-N 1 3 309.454 0.803 20 30 DCEDHO C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001691424303 1157671237 /nfs/dbraw/zinc/67/12/37/1157671237.db2.gz IBDDVNYJEHRHPP-LBPRGKRZSA-N 1 3 319.409 0.416 20 30 DCEDHO C=CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001691424303 1157671240 /nfs/dbraw/zinc/67/12/40/1157671240.db2.gz IBDDVNYJEHRHPP-LBPRGKRZSA-N 1 3 319.409 0.416 20 30 DCEDHO COCC#CC[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001569251719 1160994122 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CC#CCN[C@@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484855077 943601479 /nfs/dbraw/zinc/60/14/79/943601479.db2.gz HANQDLMONBXQFK-KRWDZBQOSA-N 1 3 309.454 0.685 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485154346 943721526 /nfs/dbraw/zinc/72/15/26/943721526.db2.gz DESBLBMPRUGEJQ-CHWSQXEVSA-N 1 3 310.442 0.256 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001491073613 943738810 /nfs/dbraw/zinc/73/88/10/943738810.db2.gz NDMPSMPHDHNWLM-GUTXKFCHSA-N 1 3 310.442 0.112 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CC(C)C2)CC1 ZINC001486065955 944527360 /nfs/dbraw/zinc/52/73/60/944527360.db2.gz LLECFORDIHVYHR-DQPZFDDXSA-N 1 3 321.465 0.444 20 30 DCEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317005084 944733483 /nfs/dbraw/zinc/73/34/83/944733483.db2.gz DWYBNIUYGUBVLF-HOTGVXAUSA-N 1 3 319.449 0.559 20 30 DCEDHO COCC#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317005084 944733490 /nfs/dbraw/zinc/73/34/90/944733490.db2.gz DWYBNIUYGUBVLF-HOTGVXAUSA-N 1 3 319.449 0.559 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001317114176 944803741 /nfs/dbraw/zinc/80/37/41/944803741.db2.gz TWNFKOGMYYOPOA-MCIONIFRSA-N 1 3 322.453 0.398 20 30 DCEDHO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001317416295 944963909 /nfs/dbraw/zinc/96/39/09/944963909.db2.gz TWBQWVHXCDWLPF-LSDHHAIUSA-N 1 3 322.453 0.095 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001319085790 945493626 /nfs/dbraw/zinc/49/36/26/945493626.db2.gz SITHHVVEYLHFDF-RBSFLKMASA-N 1 3 322.453 0.045 20 30 DCEDHO COCC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001273185923 945721355 /nfs/dbraw/zinc/72/13/55/945721355.db2.gz DZAKRKFKIIDLRT-OAHLLOKOSA-N 1 3 309.454 0.851 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)CC1 ZINC001273201043 945778349 /nfs/dbraw/zinc/77/83/49/945778349.db2.gz INPZPTKAYWAVML-CQSZACIVSA-N 1 3 307.438 0.341 20 30 DCEDHO CCN(CCNCC#CCOC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320737773 945999210 /nfs/dbraw/zinc/99/92/10/945999210.db2.gz NTFCWSLVHMRFRR-MRXNPFEDSA-N 1 3 307.438 0.416 20 30 DCEDHO C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321609161 946396589 /nfs/dbraw/zinc/39/65/89/946396589.db2.gz LQUXUYMCZLRIRM-ZIAGYGMSSA-N 1 3 324.469 0.646 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001273298025 946446054 /nfs/dbraw/zinc/44/60/54/946446054.db2.gz HDJVPRADKTXJFO-KGLIPLIRSA-N 1 3 310.442 0.209 20 30 DCEDHO C=CCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001322004665 946546875 /nfs/dbraw/zinc/54/68/75/946546875.db2.gz VTLSVCQQTCYGAQ-KBPBESRZSA-N 1 3 324.469 0.503 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027952 946751124 /nfs/dbraw/zinc/75/11/24/946751124.db2.gz KMMGHLLRRLTCMU-UONOGXRCSA-N 1 3 324.469 0.361 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001279027952 946751129 /nfs/dbraw/zinc/75/11/29/946751129.db2.gz KMMGHLLRRLTCMU-UONOGXRCSA-N 1 3 324.469 0.361 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2([NH2+][C@@H](C)COC)CC2)CC1 ZINC001323616076 947145911 /nfs/dbraw/zinc/14/59/11/947145911.db2.gz HBSNQVYNRWBDHR-AWEZNQCLSA-N 1 3 307.438 0.605 20 30 DCEDHO C#CCNC(=O)[C@H](C)[N@H+](CC)CCCNC(=O)[C@@H]1CCCN1C ZINC001265104487 949300809 /nfs/dbraw/zinc/30/08/09/949300809.db2.gz UOSNDIYLABHOOZ-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCCNC(=O)[C@@H]1CCCN1C ZINC001265104487 949300834 /nfs/dbraw/zinc/30/08/34/949300834.db2.gz UOSNDIYLABHOOZ-GJZGRUSLSA-N 1 3 322.453 0.047 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360030 950309667 /nfs/dbraw/zinc/30/96/67/950309667.db2.gz MPULRLQTZUMTNW-VQHPVUNQSA-N 1 3 319.449 0.272 20 30 DCEDHO COCC#CCN1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360030 950309688 /nfs/dbraw/zinc/30/96/88/950309688.db2.gz MPULRLQTZUMTNW-VQHPVUNQSA-N 1 3 319.449 0.272 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001331133192 950944289 /nfs/dbraw/zinc/94/42/89/950944289.db2.gz PDTYAZQTBPMTAI-HOTGVXAUSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCN(C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001331133192 950944304 /nfs/dbraw/zinc/94/43/04/950944304.db2.gz PDTYAZQTBPMTAI-HOTGVXAUSA-N 1 3 307.438 0.701 20 30 DCEDHO CC#CCN(C)CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001331174186 950988414 /nfs/dbraw/zinc/98/84/14/950988414.db2.gz RPCYNIKKODRYPH-HZPDHXFCSA-N 1 3 309.454 0.947 20 30 DCEDHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC)N(C)C ZINC001275009248 951926415 /nfs/dbraw/zinc/92/64/15/951926415.db2.gz DYILOMIGQOJYSX-JKSUJKDBSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001275460076 952163544 /nfs/dbraw/zinc/16/35/44/952163544.db2.gz ZBTBAPGCHGDIIJ-RDJZCZTQSA-N 1 3 321.465 0.995 20 30 DCEDHO CN(C)CC#CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001335382715 952528999 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COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001284178864 954905473 /nfs/dbraw/zinc/90/54/73/954905473.db2.gz JJHDRQKWFYNFHL-JKSUJKDBSA-N 1 3 321.465 0.995 20 30 DCEDHO C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001316750219 960365455 /nfs/dbraw/zinc/36/54/55/960365455.db2.gz ZYDLJCZOEGMXEO-IAGOWNOFSA-N 1 3 323.481 0.881 20 30 DCEDHO C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001316750219 960365463 /nfs/dbraw/zinc/36/54/63/960365463.db2.gz ZYDLJCZOEGMXEO-IAGOWNOFSA-N 1 3 323.481 0.881 20 30 DCEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]CC#CC)[C@@H]2C)CC1 ZINC001507300301 1016230810 /nfs/dbraw/zinc/23/08/10/1016230810.db2.gz ZMSOEDPBGWUZEJ-DOTOQJQBSA-N 1 3 301.434 0.934 20 30 DCEDHO CN(C[C@H](O)CNCc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001423477859 1011175868 /nfs/dbraw/zinc/17/58/68/1011175868.db2.gz VTNIOFFVERZYBZ-GFCCVEGCSA-N 1 3 324.450 0.480 20 30 DCEDHO COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001480020466 1018133314 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0.701 20 30 DCEDHO COCC#CCNCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493726193 1019663494 /nfs/dbraw/zinc/66/34/94/1019663494.db2.gz QZHPPXRREVOAEZ-HZPDHXFCSA-N 1 3 307.438 0.701 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072981 1019685962 /nfs/dbraw/zinc/68/59/62/1019685962.db2.gz XSTMHILHHVQFBP-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCNC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001502072981 1019685968 /nfs/dbraw/zinc/68/59/68/1019685968.db2.gz XSTMHILHHVQFBP-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO CC(C)C[C@H](NC(=O)C(C)C#N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000597692546 397065017 /nfs/dbraw/zinc/06/50/17/397065017.db2.gz PUYCAQFMYKXEQX-IHRRRGAJSA-N 1 3 308.426 0.839 20 30 DCEDHO CN1CCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000330870555 416245183 /nfs/dbraw/zinc/24/51/83/416245183.db2.gz QQCWFISPWGXWMU-HNNXBMFYSA-N 1 3 312.458 0.773 20 30 DCEDHO CN1CCC[C@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000330870555 416245185 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1188644749 /nfs/dbraw/zinc/64/47/49/1188644749.db2.gz YHAVMRCXNKHDIB-ZNMIVQPWSA-N 1 3 324.469 0.455 20 30 DCEDHO C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001753709426 1188644752 /nfs/dbraw/zinc/64/47/52/1188644752.db2.gz YHAVMRCXNKHDIB-ZNMIVQPWSA-N 1 3 324.469 0.455 20 30 DCEDHO C#CCN1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC#CC)C2)CC1 ZINC001755017454 1188997515 /nfs/dbraw/zinc/99/75/15/1188997515.db2.gz LRYYIQBKZULSEE-KRWDZBQOSA-N 1 3 317.433 0.172 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553122 751441759 /nfs/dbraw/zinc/44/17/59/751441759.db2.gz BUCXWJJIQULMFA-ARFHVFGLSA-N 1 3 309.454 0.846 20 30 DCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553122 751441763 /nfs/dbraw/zinc/44/17/63/751441763.db2.gz BUCXWJJIQULMFA-ARFHVFGLSA-N 1 3 309.454 0.846 20 30 DCEDHO COCC#CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232939 747031671 /nfs/dbraw/zinc/03/16/71/747031671.db2.gz VCNOSVDDCXHFAS-MRXNPFEDSA-N 1 3 321.465 0.854 20 30 DCEDHO C=CCCCNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320651 748130651 /nfs/dbraw/zinc/13/06/51/748130651.db2.gz DYAUNLMRDNSVDP-UHFFFAOYSA-N 1 3 320.441 0.669 20 30 DCEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001088757219 749978867 /nfs/dbraw/zinc/97/88/67/749978867.db2.gz NYHLZLRYRMKKJL-XTCFQUFBSA-N 1 3 317.433 0.452 20 30 DCEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001088757219 749978871 /nfs/dbraw/zinc/97/88/71/749978871.db2.gz NYHLZLRYRMKKJL-XTCFQUFBSA-N 1 3 317.433 0.452 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)[C@@H]2C)CC1 ZINC001089059333 750781506 /nfs/dbraw/zinc/78/15/06/750781506.db2.gz IOGBOZAGTGLXID-INMHGKMJSA-N 1 3 321.465 0.946 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)OC)[C@@H]2C)CC1 ZINC001089059333 750781507 /nfs/dbraw/zinc/78/15/07/750781507.db2.gz IOGBOZAGTGLXID-INMHGKMJSA-N 1 3 321.465 0.946 20 30 DCEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455414 751154157 /nfs/dbraw/zinc/15/41/57/751154157.db2.gz SFBNGPZEQCBNTK-HCBPCCMXSA-N 1 3 319.449 0.720 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779623 751275122 /nfs/dbraw/zinc/27/51/22/751275122.db2.gz TYIWOZMGJFDEFY-HUUCEWRRSA-N 1 3 324.469 0.315 20 30 DCEDHO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046062531 753456196 /nfs/dbraw/zinc/45/61/96/753456196.db2.gz UFYJFJBZUKLENV-DLBZAZTESA-N 1 3 322.497 0.977 20 30 DCEDHO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046062531 753456200 /nfs/dbraw/zinc/45/62/00/753456200.db2.gz UFYJFJBZUKLENV-DLBZAZTESA-N 1 3 322.497 0.977 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046063686 753457398 /nfs/dbraw/zinc/45/73/98/753457398.db2.gz UUHZBEVDCKEIIE-SJORKVTESA-N 1 3 320.481 0.568 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046063686 753457400 /nfs/dbraw/zinc/45/74/00/753457400.db2.gz UUHZBEVDCKEIIE-SJORKVTESA-N 1 3 320.481 0.568 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001046850518 753980700 /nfs/dbraw/zinc/98/07/00/753980700.db2.gz VLNMXLUASQARKF-RHSMWYFYSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001046850518 753980703 /nfs/dbraw/zinc/98/07/03/753980703.db2.gz VLNMXLUASQARKF-RHSMWYFYSA-N 1 3 307.438 0.293 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)O)CC1 ZINC001096608282 755459180 /nfs/dbraw/zinc/45/91/80/755459180.db2.gz UMHWMOCFXOYSEW-SIXLDLHFSA-N 1 3 319.449 0.434 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)O)CC1 ZINC001096608282 755459181 /nfs/dbraw/zinc/45/91/81/755459181.db2.gz UMHWMOCFXOYSEW-SIXLDLHFSA-N 1 3 319.449 0.434 20 30 DCEDHO C=C(C)CN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392454 757355873 /nfs/dbraw/zinc/35/58/73/757355873.db2.gz SORKAECRWLZTBF-LSDHHAIUSA-N 1 3 307.438 0.742 20 30 DCEDHO C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349740 757797521 /nfs/dbraw/zinc/79/75/21/757797521.db2.gz YRXOGAZJNQIFCW-IXDOHACOSA-N 1 3 301.434 0.884 20 30 DCEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099874181 763091481 /nfs/dbraw/zinc/09/14/81/763091481.db2.gz HFAGOQRYVDDPMW-GJZGRUSLSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099874181 763091488 /nfs/dbraw/zinc/09/14/88/763091488.db2.gz HFAGOQRYVDDPMW-GJZGRUSLSA-N 1 3 309.454 0.988 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130054682 763102445 /nfs/dbraw/zinc/10/24/45/763102445.db2.gz JXZVIRHPCYOKFI-KGLIPLIRSA-N 1 3 306.414 0.147 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](O)C1 ZINC001100013311 763216389 /nfs/dbraw/zinc/21/63/89/763216389.db2.gz LGDDIQPATHVBCW-HUUCEWRRSA-N 1 3 309.454 0.539 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](O)C1 ZINC001100013311 763216396 /nfs/dbraw/zinc/21/63/96/763216396.db2.gz LGDDIQPATHVBCW-HUUCEWRRSA-N 1 3 309.454 0.539 20 30 DCEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719341 763458308 /nfs/dbraw/zinc/45/83/08/763458308.db2.gz KLDYCXSAUXXSFO-GOEBONIOSA-N 1 3 319.453 0.832 20 30 DCEDHO C#CCCN1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681682 763935601 /nfs/dbraw/zinc/93/56/01/763935601.db2.gz GIVZIMFDKLBZDZ-NVXWUHKLSA-N 1 3 307.438 0.653 20 30 DCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690662 765095359 /nfs/dbraw/zinc/09/53/59/765095359.db2.gz SHSKRBCAPCFNDK-UONOGXRCSA-N 1 3 312.458 0.503 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830801 766649111 /nfs/dbraw/zinc/64/91/11/766649111.db2.gz OWHQSIZRQLAZSQ-HOTGVXAUSA-N 1 3 307.438 0.291 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830801 766649120 /nfs/dbraw/zinc/64/91/20/766649120.db2.gz OWHQSIZRQLAZSQ-HOTGVXAUSA-N 1 3 307.438 0.291 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)N(C)CC)C1=O ZINC001161227346 768702315 /nfs/dbraw/zinc/70/23/15/768702315.db2.gz ZUVIYKOIRRXLPC-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCCN1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150588676 770096956 /nfs/dbraw/zinc/09/69/56/770096956.db2.gz QUFAGRDQECZOFA-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCCN1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588676 770096968 /nfs/dbraw/zinc/09/69/68/770096968.db2.gz QUFAGRDQECZOFA-JKSUJKDBSA-N 1 3 307.438 0.559 20 30 DCEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001154381755 770163209 /nfs/dbraw/zinc/16/32/09/770163209.db2.gz STNJJDDXMMWNFN-JBCIKUTRSA-N 1 3 319.449 0.700 20 30 DCEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001154381755 770163212 /nfs/dbraw/zinc/16/32/12/770163212.db2.gz STNJJDDXMMWNFN-JBCIKUTRSA-N 1 3 319.449 0.700 20 30 DCEDHO N#CCCN(Cc1cccnc1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157730711 771660099 /nfs/dbraw/zinc/66/00/99/771660099.db2.gz QXUBKABKYCUROC-OAHLLOKOSA-N 1 3 301.394 0.651 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183738586 771695774 /nfs/dbraw/zinc/69/57/74/771695774.db2.gz LYCYPHBOEZYTSU-ZIAGYGMSSA-N 1 3 324.469 0.598 20 30 DCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183738586 771695777 /nfs/dbraw/zinc/69/57/77/771695777.db2.gz LYCYPHBOEZYTSU-ZIAGYGMSSA-N 1 3 324.469 0.598 20 30 DCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183765236 771698823 /nfs/dbraw/zinc/69/88/23/771698823.db2.gz QXDRNQHFPDEJGT-UONOGXRCSA-N 1 3 322.453 0.045 20 30 DCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183765236 771698826 /nfs/dbraw/zinc/69/88/26/771698826.db2.gz QXDRNQHFPDEJGT-UONOGXRCSA-N 1 3 322.453 0.045 20 30 DCEDHO N#Cc1c[nH]c2ncnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c12 ZINC001158258226 771747773 /nfs/dbraw/zinc/74/77/73/771747773.db2.gz UEMXEDRKLUPAPD-LBPRGKRZSA-N 1 3 311.393 0.831 20 30 DCEDHO N#Cc1c[nH]c2ncnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c12 ZINC001158258226 771747774 /nfs/dbraw/zinc/74/77/74/771747774.db2.gz UEMXEDRKLUPAPD-LBPRGKRZSA-N 1 3 311.393 0.831 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185157725 771878120 /nfs/dbraw/zinc/87/81/20/771878120.db2.gz ICNAGZKNMPWYNL-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185157725 771878125 /nfs/dbraw/zinc/87/81/25/771878125.db2.gz ICNAGZKNMPWYNL-HRCADAONSA-N 1 3 307.438 0.557 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185206384 771878807 /nfs/dbraw/zinc/87/88/07/771878807.db2.gz SJQNILBPWYJYOO-HUUCEWRRSA-N 1 3 318.421 0.676 20 30 DCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001159381773 771903592 /nfs/dbraw/zinc/90/35/92/771903592.db2.gz FXAMGDFGAGJPNS-CYBMUJFWSA-N 1 3 321.425 0.074 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C1=O ZINC001160427267 772035801 /nfs/dbraw/zinc/03/58/01/772035801.db2.gz NXRYNUPQGOEOGU-CABCVRRESA-N 1 3 324.469 0.455 20 30 DCEDHO COCC#CCN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186730799 772080824 /nfs/dbraw/zinc/08/08/24/772080824.db2.gz DQUBLWJWSLJMSU-QGZVFWFLSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024453 772997107 /nfs/dbraw/zinc/99/71/07/772997107.db2.gz ZABIXKOARLXNTO-ARFHVFGLSA-N 1 3 307.438 0.456 20 30 DCEDHO C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206952417 773146347 /nfs/dbraw/zinc/14/63/47/773146347.db2.gz ODHHWIPTIFEKLT-UHFFFAOYSA-N 1 3 324.469 0.457 20 30 DCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001195593839 773440447 /nfs/dbraw/zinc/44/04/47/773440447.db2.gz BPSYYKBDPLOHMT-CAOSSQGBSA-N 1 3 309.454 0.844 20 30 DCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001195593839 773440449 /nfs/dbraw/zinc/44/04/49/773440449.db2.gz BPSYYKBDPLOHMT-CAOSSQGBSA-N 1 3 309.454 0.844 20 30 DCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217473 773686522 /nfs/dbraw/zinc/68/65/22/773686522.db2.gz IXICCNHNZMYIQG-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217713 773686563 /nfs/dbraw/zinc/68/65/63/773686563.db2.gz LSJBYJLFWDPVQG-HUUCEWRRSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214949986 774028725 /nfs/dbraw/zinc/02/87/25/774028725.db2.gz IFHMNBJSDAABTP-MGPQQGTHSA-N 1 3 310.442 0.065 20 30 DCEDHO C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215461223 774074669 /nfs/dbraw/zinc/07/46/69/774074669.db2.gz XBQBKTVWEDWSBL-QLFBSQMISA-N 1 3 322.453 0.162 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215544220 774081966 /nfs/dbraw/zinc/08/19/66/774081966.db2.gz LAYKPQPXNISXPO-RRFJBIMHSA-N 1 3 322.453 0.067 20 30 DCEDHO N#Cc1c(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)sc2c1CCNC2 ZINC001218552672 774245915 /nfs/dbraw/zinc/24/59/15/774245915.db2.gz JGGYKAUONCKHRR-BJOHPYRUSA-N 1 3 317.418 0.155 20 30 DCEDHO COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218604730 774261177 /nfs/dbraw/zinc/26/11/77/774261177.db2.gz GVZJHSKOUDPWEB-VIFPVBQESA-N 1 3 320.374 0.154 20 30 DCEDHO COC(=O)c1scc(C#N)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218604729 774261203 /nfs/dbraw/zinc/26/12/03/774261203.db2.gz GVZJHSKOUDPWEB-SECBINFHSA-N 1 3 320.374 0.154 20 30 DCEDHO C=C[C@@H]1C[C@]1(N)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218694958 774281301 /nfs/dbraw/zinc/28/13/01/774281301.db2.gz HJKNVQZRJBKHOK-BDJLRTHQSA-N 1 3 301.394 0.652 20 30 DCEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201403607 774501902 /nfs/dbraw/zinc/50/19/02/774501902.db2.gz NCZJIDUVDJUANQ-JKSUJKDBSA-N 1 3 307.438 0.701 20 30 DCEDHO N#Cc1ccccc1OCCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220685132 774888658 /nfs/dbraw/zinc/88/86/58/774888658.db2.gz PEAYBGKEXSSTAM-ZDUSSCGKSA-N 1 3 322.434 0.463 20 30 DCEDHO N#Cc1ccccc1OCCCNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220685368 774890247 /nfs/dbraw/zinc/89/02/47/774890247.db2.gz VCLOOQTYNCUDDF-AWEZNQCLSA-N 1 3 304.394 0.900 20 30 DCEDHO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229859873 776232169 /nfs/dbraw/zinc/23/21/69/776232169.db2.gz GPGUYRRBWTXDQB-HUUCEWRRSA-N 1 3 324.469 0.647 20 30 DCEDHO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001481495597 939903053 /nfs/dbraw/zinc/90/30/53/939903053.db2.gz MQYKCEHDBSTVKR-HZPDHXFCSA-N 1 3 307.438 0.511 20 30 DCEDHO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001481495597 939903055 /nfs/dbraw/zinc/90/30/55/939903055.db2.gz MQYKCEHDBSTVKR-HZPDHXFCSA-N 1 3 307.438 0.511 20 30 DCEDHO C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001268269754 940013045 /nfs/dbraw/zinc/01/30/45/940013045.db2.gz VQJJSASEMHXEBA-HUUCEWRRSA-N 1 3 322.453 0.163 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](O)C[NH2+]CC[C@@H](C)F)CC1 ZINC001268335813 940067082 /nfs/dbraw/zinc/06/70/82/940067082.db2.gz XHRPHJWZFBLVFE-UKRRQHHQSA-N 1 3 313.417 0.146 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001270745359 940980341 /nfs/dbraw/zinc/98/03/41/940980341.db2.gz ZKOYYNFADSGVMX-PBHICJAKSA-N 1 3 324.469 0.457 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](CC)OC)CC1 ZINC001483198045 941932390 /nfs/dbraw/zinc/93/23/90/941932390.db2.gz KTIXGLUYBDFSQM-ZBFHGGJFSA-N 1 3 309.454 0.851 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001484614237 943472930 /nfs/dbraw/zinc/47/29/30/943472930.db2.gz LMPLBIQDFLUNNM-CABCVRRESA-N 1 3 322.453 0.354 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484841373 943590957 /nfs/dbraw/zinc/59/09/57/943590957.db2.gz HUSPACNNZLLEIR-SJLPKXTDSA-N 1 3 321.465 0.827 20 30 DCEDHO CC#CCN[C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484841373 943590959 /nfs/dbraw/zinc/59/09/59/943590959.db2.gz HUSPACNNZLLEIR-SJLPKXTDSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001317415310 944959891 /nfs/dbraw/zinc/95/98/91/944959891.db2.gz JNSISJACTFNAHX-DZGCQCFKSA-N 1 3 322.453 0.080 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001277873584 945018363 /nfs/dbraw/zinc/01/83/63/945018363.db2.gz HOZSFIIXLBRVGB-HOTGVXAUSA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@H]2CCOC2)CC1 ZINC001318608791 945411711 /nfs/dbraw/zinc/41/17/11/945411711.db2.gz YUUZXSGZDNFOFO-NVXWUHKLSA-N 1 3 321.465 0.853 20 30 DCEDHO C=CCOCc1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNC2 ZINC001246701745 945464872 /nfs/dbraw/zinc/46/48/72/945464872.db2.gz MJMGMLZDSUWACF-GFCCVEGCSA-N 1 3 303.410 0.455 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001320090635 945738697 /nfs/dbraw/zinc/73/86/97/945738697.db2.gz NPBMHYSPFRUFGY-MRXNPFEDSA-N 1 3 323.481 0.883 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)CCC[C@@H](C)O)CC1 ZINC001320090635 945738707 /nfs/dbraw/zinc/73/87/07/945738707.db2.gz NPBMHYSPFRUFGY-MRXNPFEDSA-N 1 3 323.481 0.883 20 30 DCEDHO C=C[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253576639 946132560 /nfs/dbraw/zinc/13/25/60/946132560.db2.gz NGLMQDYJSWHWSK-HNNXBMFYSA-N 1 3 305.422 0.357 20 30 DCEDHO C=C[C@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253576639 946132566 /nfs/dbraw/zinc/13/25/66/946132566.db2.gz NGLMQDYJSWHWSK-HNNXBMFYSA-N 1 3 305.422 0.357 20 30 DCEDHO C#CCC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001278776978 946359879 /nfs/dbraw/zinc/35/98/79/946359879.db2.gz QWDQZQJDAHXQMK-SFHVURJKSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001278776978 946359889 /nfs/dbraw/zinc/35/98/89/946359889.db2.gz QWDQZQJDAHXQMK-SFHVURJKSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001278809832 946428568 /nfs/dbraw/zinc/42/85/68/946428568.db2.gz HOXJETIKHXSZKN-SJLPKXTDSA-N 1 3 321.465 0.827 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001278809832 946428573 /nfs/dbraw/zinc/42/85/73/946428573.db2.gz HOXJETIKHXSZKN-SJLPKXTDSA-N 1 3 321.465 0.827 20 30 DCEDHO C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001278823570 946448484 /nfs/dbraw/zinc/44/84/84/946448484.db2.gz ZJVZGHDYRTZKNP-MRXNPFEDSA-N 1 3 306.410 0.780 20 30 DCEDHO C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001278823570 946448491 /nfs/dbraw/zinc/44/84/91/946448491.db2.gz ZJVZGHDYRTZKNP-MRXNPFEDSA-N 1 3 306.410 0.780 20 30 DCEDHO C=CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001179482436 947851490 /nfs/dbraw/zinc/85/14/90/947851490.db2.gz SSYIPEJTXWTGKQ-KKUMJFAQSA-N 1 3 322.453 0.304 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534744 947854426 /nfs/dbraw/zinc/85/44/26/947854426.db2.gz ULWJJCWWLYIWPI-PMPSAXMXSA-N 1 3 307.438 0.700 20 30 DCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001328604813 948984168 /nfs/dbraw/zinc/98/41/68/948984168.db2.gz LMPLBIQDFLUNNM-GJZGRUSLSA-N 1 3 322.453 0.354 20 30 DCEDHO COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001265663884 949861778 /nfs/dbraw/zinc/86/17/78/949861778.db2.gz MVEQVGJZSYCOMP-CVEARBPZSA-N 1 3 307.438 0.701 20 30 DCEDHO N#CCCC[C@H](N)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001330608626 950545942 /nfs/dbraw/zinc/54/59/42/950545942.db2.gz SEOJKUQJKMEDOX-GJZGRUSLSA-N 1 3 308.426 0.625 20 30 DCEDHO N#CCCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001330640272 950565684 /nfs/dbraw/zinc/56/56/84/950565684.db2.gz DPHDRJFAWVKLTI-AXFHLTTASA-N 1 3 306.332 0.993 20 30 DCEDHO C[NH+](C)CC1(O)CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001365324899 950960089 /nfs/dbraw/zinc/96/00/89/950960089.db2.gz YWAWSNPJGOBNTL-MRXNPFEDSA-N 1 3 303.406 0.980 20 30 DCEDHO CC#CCN(C)CCOCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001331174185 950989474 /nfs/dbraw/zinc/98/94/74/950989474.db2.gz RPCYNIKKODRYPH-HOTGVXAUSA-N 1 3 309.454 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729799 952411314 /nfs/dbraw/zinc/41/13/14/952411314.db2.gz PHYZFTDJMNIHEJ-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729799 952411316 /nfs/dbraw/zinc/41/13/16/952411316.db2.gz PHYZFTDJMNIHEJ-CVEARBPZSA-N 1 3 321.465 0.805 20 30 DCEDHO C#CCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001282834325 953689479 /nfs/dbraw/zinc/68/94/79/953689479.db2.gz UZKIUPDPYPEOLZ-MRXNPFEDSA-N 1 3 321.465 0.947 20 30 DCEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001353548503 956100449 /nfs/dbraw/zinc/10/04/49/956100449.db2.gz JVUZKBGVLYUNAU-HNNXBMFYSA-N 1 3 324.469 0.729 20 30 DCEDHO COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001507401099 1016305219 /nfs/dbraw/zinc/30/52/19/1016305219.db2.gz SIEVYOYOZVIOBW-CVEARBPZSA-N 1 3 321.465 0.995 20 30 DCEDHO C=CCOCCN1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506652171 1017439570 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C#CCN1CCC(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)CC1 ZINC000491692058 397503085 /nfs/dbraw/zinc/50/30/85/397503085.db2.gz HRFZTBJLUJCSOJ-DLBZAZTESA-N 1 3 319.449 0.653 20 30 DCEDHO CC(C#N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000346139374 416187718 /nfs/dbraw/zinc/18/77/18/416187718.db2.gz RMSLVSMXHAQICU-AWEZNQCLSA-N 1 3 320.437 0.987 20 30 DCEDHO C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)C1=CCN(C)CC1 ZINC000330084807 416196390 /nfs/dbraw/zinc/19/63/90/416196390.db2.gz REOFMYMUOQJTTR-AWEZNQCLSA-N 1 3 324.469 0.939 20 30 DCEDHO C[C@H](NC(=O)N1CCC([N@@H+](C)CCO)CC1)C1=CCN(C)CC1 ZINC000330084807 416196394 /nfs/dbraw/zinc/19/63/94/416196394.db2.gz REOFMYMUOQJTTR-AWEZNQCLSA-N 1 3 324.469 0.939 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419736919 416407850 /nfs/dbraw/zinc/40/78/50/416407850.db2.gz XQEYCQCTYRKVLW-HIFRSBDPSA-N 1 3 322.453 0.481 20 30 DCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659706220 418155155 /nfs/dbraw/zinc/15/51/55/418155155.db2.gz HJKFMAXLMQZURQ-UHFFFAOYSA-N 1 3 320.437 0.011 20 30 DCEDHO COc1ccc(NC(=[NH2+])NC[C@]2(O)CCN(C)C2)cc1OC ZINC000262315144 533991357 /nfs/dbraw/zinc/99/13/57/533991357.db2.gz QOSXDGMNLUTLHA-OAHLLOKOSA-N 1 3 308.382 0.497 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000359262877 526416998 /nfs/dbraw/zinc/41/69/98/526416998.db2.gz HFVLEZDMALIOHX-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000359262877 526417008 /nfs/dbraw/zinc/41/70/08/526417008.db2.gz HFVLEZDMALIOHX-CQSZACIVSA-N 1 3 324.469 0.600 20 30 DCEDHO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968806 658103813 /nfs/dbraw/zinc/10/38/13/658103813.db2.gz HUVOYGXPKUBHHH-GWUWNPHMSA-N 1 3 305.422 0.568 20 30 DCEDHO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968806 658103815 /nfs/dbraw/zinc/10/38/15/658103815.db2.gz HUVOYGXPKUBHHH-GWUWNPHMSA-N 1 3 305.422 0.568 20 30 DCEDHO 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CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001281618486 951563998 /nfs/dbraw/zinc/56/39/98/951563998.db2.gz MSHFMVVZDDVREB-HNNXBMFYSA-N 1 3 309.454 0.539 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC#CCOC)CC1 ZINC001275039321 951940660 /nfs/dbraw/zinc/94/06/60/951940660.db2.gz RLJGTMVFKVUHIA-OAHLLOKOSA-N 1 3 305.422 0.076 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502771 952205128 /nfs/dbraw/zinc/20/51/28/952205128.db2.gz NYGVCAZTJVNIJU-UONOGXRCSA-N 1 3 324.469 0.503 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001336894219 952781310 /nfs/dbraw/zinc/78/13/10/952781310.db2.gz MNJXLHFQKPOAND-RYUDHWBXSA-N 1 3 320.359 0.863 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001340921120 953203289 /nfs/dbraw/zinc/20/32/89/953203289.db2.gz QHELROCNPMKINA-VLXAULBPSA-N 1 3 309.410 0.409 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541942 953237127 /nfs/dbraw/zinc/23/71/27/953237127.db2.gz ZYINODXZIUFWNY-DGAVXFQQSA-N 1 3 322.409 0.064 20 30 DCEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001353548504 956098289 /nfs/dbraw/zinc/09/82/89/956098289.db2.gz JVUZKBGVLYUNAU-OAHLLOKOSA-N 1 3 324.469 0.729 20 30 DCEDHO C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001502567592 1015974811 /nfs/dbraw/zinc/97/48/11/1015974811.db2.gz HPHPZCKJPGTANH-DOTOQJQBSA-N 1 3 309.454 0.988 20 30 DCEDHO C#CCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503003909 1016144307 /nfs/dbraw/zinc/14/43/07/1016144307.db2.gz UFBXVABOARCHOU-GJZGRUSLSA-N 1 3 307.438 0.700 20 30 DCEDHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001406235421 1003508536 /nfs/dbraw/zinc/50/85/36/1003508536.db2.gz CZOUQPPGOOCSTD-SMDDNHRTSA-N 1 3 324.450 0.527 20 30 DCEDHO C=CCNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829487 1017839218 /nfs/dbraw/zinc/83/92/18/1017839218.db2.gz NLICFTNHEFQJGU-GJZGRUSLSA-N 1 3 324.469 0.600 20 30 DCEDHO C#CCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920657 1018135345 /nfs/dbraw/zinc/13/53/45/1018135345.db2.gz IQDVVFKKSHTMLQ-LSDHHAIUSA-N 1 3 322.453 0.047 20 30 DCEDHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001480173401 1018283220 /nfs/dbraw/zinc/28/32/20/1018283220.db2.gz HXQISOZUUJVHQP-BZUAXINKSA-N 1 3 307.438 0.747 20 30 DCEDHO C#CC[NH2+]C1CCN(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001501261580 1018993482 /nfs/dbraw/zinc/99/34/82/1018993482.db2.gz DDISSEUGEJJVLY-UHFFFAOYSA-N 1 3 306.454 0.274 20 30 DCEDHO C#CC[NH2+]C[C@H]1CCCCN1C(=O)C1CCN(CC#C)CC1 ZINC001501898475 1019544868 /nfs/dbraw/zinc/54/48/68/1019544868.db2.gz JMPGKZGQIIMOGG-QGZVFWFLSA-N 1 3 301.434 0.936 20 30 DCEDHO CN1CC[C@](O)(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262280460 529809224 /nfs/dbraw/zinc/80/92/24/529809224.db2.gz IYQOXUXUMXJKEP-INIZCTEOSA-N 1 3 320.393 0.641 20 30 DCEDHO Cn1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000359768084 416357983 /nfs/dbraw/zinc/35/79/83/416357983.db2.gz QDYGQOYSPWSLSH-CQSZACIVSA-N 1 3 303.410 0.574 20 30 DCEDHO C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418614647 416387925 /nfs/dbraw/zinc/38/79/25/416387925.db2.gz JJJQYYJNCAYDOQ-ZDUSSCGKSA-N 1 3 303.410 0.979 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419725352 416406373 /nfs/dbraw/zinc/40/63/73/416406373.db2.gz IIXPQOONTOCPEI-UKRRQHHQSA-N 1 3 322.453 0.387 20 30 DCEDHO C=CC[C@]1(C(=O)NC[C@H](C)N2CCN(CC)CC2)CCC[NH2+]1 ZINC000662756463 417891836 /nfs/dbraw/zinc/89/18/36/417891836.db2.gz HXOAJXOPWGXFPD-DOTOQJQBSA-N 1 3 308.470 0.827 20 30 DCEDHO C=CC[C@]1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000662756238 417893099 /nfs/dbraw/zinc/89/30/99/417893099.db2.gz ILGVYDXRQHVGNJ-FUHWJXTLSA-N 1 3 320.481 0.923 20 30 DCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418358062 262275385 /nfs/dbraw/zinc/27/53/85/262275385.db2.gz DKBGLLYLABMKNB-MRXNPFEDSA-N 1 3 315.421 0.993 20 30 DCEDHO C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261769849 526368142 /nfs/dbraw/zinc/36/81/42/526368142.db2.gz NWWNTBJMRNYLDC-IUODEOHRSA-N 1 3 304.442 0.839 20 30 DCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264308406 529100576 /nfs/dbraw/zinc/10/05/76/529100576.db2.gz UMRGRRUJMLMYBG-HOTGVXAUSA-N 1 3 304.438 0.979 20 30 DCEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248241 660506232 /nfs/dbraw/zinc/50/62/32/660506232.db2.gz KGMQPFIDJBEZHZ-LUKYLMHMSA-N 1 3 303.450 0.892 20 30 DCEDHO C#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248241 660506234 /nfs/dbraw/zinc/50/62/34/660506234.db2.gz KGMQPFIDJBEZHZ-LUKYLMHMSA-N 1 3 303.450 0.892 20 30 DCEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784723 661216180 /nfs/dbraw/zinc/21/61/80/661216180.db2.gz PTAOWHVWRYWTHW-HZPDHXFCSA-N 1 3 319.449 0.960 20 30 DCEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784723 661216181 /nfs/dbraw/zinc/21/61/81/661216181.db2.gz PTAOWHVWRYWTHW-HZPDHXFCSA-N 1 3 319.449 0.960 20 30 DCEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891920804 657917475 /nfs/dbraw/zinc/91/74/75/657917475.db2.gz DKRICCJJKKGHAZ-HNNXBMFYSA-N 1 3 322.453 0.399 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@H](C)O)C2)CC1 ZINC000970923555 658085180 /nfs/dbraw/zinc/08/51/80/658085180.db2.gz GDBTVEIFEQTDLZ-UONOGXRCSA-N 1 3 307.438 0.149 20 30 DCEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)C1=O ZINC000969985446 658325604 /nfs/dbraw/zinc/32/56/04/658325604.db2.gz IOZBJFZEAPLCOO-ILXRZTDVSA-N 1 3 322.453 0.304 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H](C)OC)CC1 ZINC001028333564 661461632 /nfs/dbraw/zinc/46/16/32/661461632.db2.gz OMXBCXIVLVUDJJ-NVXWUHKLSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001028333564 661461635 /nfs/dbraw/zinc/46/16/35/661461635.db2.gz OMXBCXIVLVUDJJ-NVXWUHKLSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@H](C)OC)CC1 ZINC001028333562 661461830 /nfs/dbraw/zinc/46/18/30/661461830.db2.gz OMXBCXIVLVUDJJ-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](C)OC)CC1 ZINC001028333562 661461831 /nfs/dbraw/zinc/46/18/31/661461831.db2.gz OMXBCXIVLVUDJJ-DOTOQJQBSA-N 1 3 321.465 0.947 20 30 DCEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000900696469 663269607 /nfs/dbraw/zinc/26/96/07/663269607.db2.gz SVFYQJTXTOYQJB-HNNXBMFYSA-N 1 3 310.486 0.884 20 30 DCEDHO C#CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516354 666290470 /nfs/dbraw/zinc/29/04/70/666290470.db2.gz MAURMJGUZVDAAV-ZBFHGGJFSA-N 1 3 317.437 0.518 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001033684367 666795161 /nfs/dbraw/zinc/79/51/61/666795161.db2.gz NVSYLMRHZVLNJV-DOTOQJQBSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001033684367 666795163 /nfs/dbraw/zinc/79/51/63/666795163.db2.gz NVSYLMRHZVLNJV-DOTOQJQBSA-N 1 3 321.465 0.899 20 30 DCEDHO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(CC#C)CC2)C1 ZINC001033686626 666795434 /nfs/dbraw/zinc/79/54/34/666795434.db2.gz REERVAIRZBCHKS-QGZVFWFLSA-N 1 3 301.434 0.888 20 30 DCEDHO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(CC#C)CC2)C1 ZINC001033686626 666795435 /nfs/dbraw/zinc/79/54/35/666795435.db2.gz REERVAIRZBCHKS-QGZVFWFLSA-N 1 3 301.434 0.888 20 30 DCEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCN(C2CC2)C1 ZINC000884213128 667500299 /nfs/dbraw/zinc/50/02/99/667500299.db2.gz UNRLMODPJKNJPC-INCLHDFMSA-N 1 3 302.422 0.821 20 30 DCEDHO CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCN(C2CC2)C1 ZINC000884213130 667500454 /nfs/dbraw/zinc/50/04/54/667500454.db2.gz UNRLMODPJKNJPC-QZWLQQCHSA-N 1 3 302.422 0.821 20 30 DCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884642474 667581156 /nfs/dbraw/zinc/58/11/56/667581156.db2.gz KFGGIKAHIPQACB-CABCVRRESA-N 1 3 320.437 0.106 20 30 DCEDHO C#CCN(C(=O)C1CCN(CC#C)CC1)C1CC[NH+](C)CC1 ZINC000886583115 667779540 /nfs/dbraw/zinc/77/95/40/667779540.db2.gz BMMOWSMFMGNTOF-UHFFFAOYSA-N 1 3 301.434 0.888 20 30 DCEDHO C#CCN1CCC(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747216927 667897128 /nfs/dbraw/zinc/89/71/28/667897128.db2.gz FLNAAWDSVCRZKK-UHFFFAOYSA-N 1 3 303.410 0.728 20 30 DCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876776288 668509130 /nfs/dbraw/zinc/50/91/30/668509130.db2.gz HDTKRRIMDCRGOC-CYBMUJFWSA-N 1 3 302.850 0.599 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000854093227 670524004 /nfs/dbraw/zinc/52/40/04/670524004.db2.gz ZKYUCMUIUAZDNT-INIZCTEOSA-N 1 3 322.453 0.182 20 30 DCEDHO C#CCN(C)CCCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000854093227 670524008 /nfs/dbraw/zinc/52/40/08/670524008.db2.gz ZKYUCMUIUAZDNT-INIZCTEOSA-N 1 3 322.453 0.182 20 30 DCEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000836284912 671822275 /nfs/dbraw/zinc/82/22/75/671822275.db2.gz WMBHCYUOXQBYOG-HUUCEWRRSA-N 1 3 308.426 0.104 20 30 DCEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000836284912 671822276 /nfs/dbraw/zinc/82/22/76/671822276.db2.gz WMBHCYUOXQBYOG-HUUCEWRRSA-N 1 3 308.426 0.104 20 30 DCEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000160725886 685139261 /nfs/dbraw/zinc/13/92/61/685139261.db2.gz XBFWTLHOYYDAOX-UHFFFAOYSA-N 1 3 307.438 0.152 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@H+](CCC)C[C@H]2O)CC1 ZINC000958724134 687877158 /nfs/dbraw/zinc/87/71/58/687877158.db2.gz LWUNNILNZWTRIG-JKSUJKDBSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H]2C[N@@H+](CCC)C[C@H]2O)CC1 ZINC000958724134 687877167 /nfs/dbraw/zinc/87/71/67/687877167.db2.gz LWUNNILNZWTRIG-JKSUJKDBSA-N 1 3 307.438 0.151 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1 ZINC001016337159 692656099 /nfs/dbraw/zinc/65/60/99/692656099.db2.gz POFPYVHBFBVBIB-IAGOWNOFSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001016337159 692656102 /nfs/dbraw/zinc/65/61/02/692656102.db2.gz POFPYVHBFBVBIB-IAGOWNOFSA-N 1 3 321.465 0.947 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC#C)CC3)CC1 ZINC001016986421 692821160 /nfs/dbraw/zinc/82/11/60/692821160.db2.gz QRDXGYSZGRXRDS-QGZVFWFLSA-N 1 3 313.445 0.936 20 30 DCEDHO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)C1=O ZINC001019394479 693461199 /nfs/dbraw/zinc/46/11/99/693461199.db2.gz IOZBJFZEAPLCOO-ZNMIVQPWSA-N 1 3 322.453 0.304 20 30 DCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007561 695123842 /nfs/dbraw/zinc/12/38/42/695123842.db2.gz RQQDLOKCLYNMST-BZUAXINKSA-N 1 3 307.438 0.456 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001772517042 1157408535 /nfs/dbraw/zinc/40/85/35/1157408535.db2.gz JXZHYMSTFFNVNJ-HOTGVXAUSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001772517063 1157408549 /nfs/dbraw/zinc/40/85/49/1157408549.db2.gz WWODESSYGLVUDK-HNNXBMFYSA-N 1 3 321.465 0.853 20 30 DCEDHO C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C2CCN(CC#C)CC2)C1 ZINC001691184402 1157608981 /nfs/dbraw/zinc/60/89/81/1157608981.db2.gz KPXCDJIDMNBCBQ-JCNLHEQBSA-N 1 3 301.434 0.839 20 30 DCEDHO C#CC[NH2+]C[C@](C)(NC(=O)C1CCN(CC#C)CC1)C1CC1 ZINC001753526889 1158037365 /nfs/dbraw/zinc/03/73/65/1158037365.db2.gz FBOTYWCJIDOPIV-SFHVURJKSA-N 1 3 301.434 0.839 20 30 DCEDHO C=CCN(CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691535455 1158317258 /nfs/dbraw/zinc/31/72/58/1158317258.db2.gz FNEQBXWPZBMQCA-OAHLLOKOSA-N 1 3 307.438 0.554 20 30 DCEDHO COCC#CC[N@@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567709246 1160460924 /nfs/dbraw/zinc/46/09/24/1160460924.db2.gz KBAAKOJIXDILIB-SJORKVTESA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CC[N@H+]1CC[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001567709246 1160460928 /nfs/dbraw/zinc/46/09/28/1160460928.db2.gz KBAAKOJIXDILIB-SJORKVTESA-N 1 3 321.465 0.806 20 30 DCEDHO COCC#CCNC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001569036601 1160923950 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/nfs/dbraw/zinc/59/44/58/1181594458.db2.gz YYPGVSKHXGYDLE-DLBZAZTESA-N 1 3 321.465 0.901 20 30 DCEDHO C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001715417643 1181807483 /nfs/dbraw/zinc/80/74/83/1181807483.db2.gz NGYXQLCZOWCPBJ-UKRRQHHQSA-N 1 3 306.410 0.981 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715961630 1182120934 /nfs/dbraw/zinc/12/09/34/1182120934.db2.gz PWHRWDHGOQAEAH-CABCVRRESA-N 1 3 324.469 0.457 20 30 DCEDHO C=C(C)CN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715961630 1182120938 /nfs/dbraw/zinc/12/09/38/1182120938.db2.gz PWHRWDHGOQAEAH-CABCVRRESA-N 1 3 324.469 0.457 20 30 DCEDHO C#CC[NH2+]CCN(CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717060352 1182657818 /nfs/dbraw/zinc/65/78/18/1182657818.db2.gz SJITXUUJTVMPSG-MRXNPFEDSA-N 1 3 313.417 0.243 20 30 DCEDHO C=C(C)CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001717323040 1182780761 /nfs/dbraw/zinc/78/07/61/1182780761.db2.gz MEUROZUNHLGEBJ-UHFFFAOYSA-N 1 3 306.410 0.862 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)OC)CC1 ZINC001717500061 1182866239 /nfs/dbraw/zinc/86/62/39/1182866239.db2.gz OPXXEQVJZVWJSF-CABCVRRESA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)OC)CC1 ZINC001717500061 1182866241 /nfs/dbraw/zinc/86/62/41/1182866241.db2.gz OPXXEQVJZVWJSF-CABCVRRESA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001717801523 1183007461 /nfs/dbraw/zinc/00/74/61/1183007461.db2.gz GNHHRZKPROACPX-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001717801523 1183007469 /nfs/dbraw/zinc/00/74/69/1183007469.db2.gz GNHHRZKPROACPX-HUUCEWRRSA-N 1 3 322.453 0.047 20 30 DCEDHO CN(C[C@H](O)CNCC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001717926231 1183066203 /nfs/dbraw/zinc/06/62/03/1183066203.db2.gz RIWWSHQMVDFECM-QGZVFWFLSA-N 1 3 317.433 0.399 20 30 DCEDHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCOCC)CC1 ZINC001722915164 1184232478 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C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)CC1 ZINC001732753846 1185949939 /nfs/dbraw/zinc/94/99/39/1185949939.db2.gz IIKVZRBDRJKIOO-INIZCTEOSA-N 1 3 319.449 0.466 20 30 DCEDHO C=CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001752462972 1188424376 /nfs/dbraw/zinc/42/43/76/1188424376.db2.gz JCUNGKLUGFOEDO-YUELXQCFSA-N 1 3 322.453 0.113 20 30 DCEDHO C=CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001752462972 1188424379 /nfs/dbraw/zinc/42/43/79/1188424379.db2.gz JCUNGKLUGFOEDO-YUELXQCFSA-N 1 3 322.453 0.113 20 30 DCEDHO COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001752983847 1188471270 /nfs/dbraw/zinc/47/12/70/1188471270.db2.gz PWGHLGCOVJAHPJ-HOTGVXAUSA-N 1 3 309.454 0.993 20 30 DCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001753601513 1188622236 /nfs/dbraw/zinc/62/22/36/1188622236.db2.gz PQGWHJWODVSYSU-ZNMIVQPWSA-N 1 3 324.469 0.598 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC#CCOC)CC[N@@H+]1C ZINC001755587312 1189153326 /nfs/dbraw/zinc/15/33/26/1189153326.db2.gz AKBBXFYGQIBUBF-OWCLPIDISA-N 1 3 309.454 0.803 20 30 DCEDHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC#CCOC)CC[N@H+]1C ZINC001755587312 1189153330 /nfs/dbraw/zinc/15/33/30/1189153330.db2.gz AKBBXFYGQIBUBF-OWCLPIDISA-N 1 3 309.454 0.803 20 30 DCEDHO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001755839910 1189232837 /nfs/dbraw/zinc/23/28/37/1189232837.db2.gz NVZARJIYVOEFQH-AWEZNQCLSA-N 1 3 324.469 0.197 20 30 DCEDHO