smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001211278147 734245606 /nfs/dbraw/zinc/24/56/06/734245606.db2.gz PYGPVMXUNLQYCO-CVEARBPZSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566832 735860938 /nfs/dbraw/zinc/86/09/38/735860938.db2.gz QOCACUOCQWVDKI-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566832 735860945 /nfs/dbraw/zinc/86/09/45/735860945.db2.gz QOCACUOCQWVDKI-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566832 735860951 /nfs/dbraw/zinc/86/09/51/735860951.db2.gz QOCACUOCQWVDKI-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566832 735860960 /nfs/dbraw/zinc/86/09/60/735860960.db2.gz QOCACUOCQWVDKI-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001023761928 737326177 /nfs/dbraw/zinc/32/61/77/737326177.db2.gz MVLBARDEDFUJEW-GJZGRUSLSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000973330407 739102784 /nfs/dbraw/zinc/10/27/84/739102784.db2.gz JRYCBOJDXXVCHQ-HHARLNAUSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000973330407 739102785 /nfs/dbraw/zinc/10/27/85/739102785.db2.gz JRYCBOJDXXVCHQ-HHARLNAUSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973330407 739102787 /nfs/dbraw/zinc/10/27/87/739102787.db2.gz JRYCBOJDXXVCHQ-HHARLNAUSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000973330407 739102790 /nfs/dbraw/zinc/10/27/90/739102790.db2.gz JRYCBOJDXXVCHQ-HHARLNAUSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC(=C)C)C[C@@H]32)CC1 ZINC001083283570 739741879 /nfs/dbraw/zinc/74/18/79/739741879.db2.gz IRUAGUXLKUHDNG-ZWKOTPCHSA-N 2 1 331.460 0.819 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC#C)CC3)[C@H]2C1 ZINC001083283641 739743192 /nfs/dbraw/zinc/74/31/92/739743192.db2.gz MANOARMNSWWXRI-ZWKOTPCHSA-N 2 1 329.444 0.267 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1 ZINC001105262255 741589865 /nfs/dbraw/zinc/58/98/65/741589865.db2.gz QYWUDWBCBUECTR-INIZCTEOSA-N 2 1 348.426 0.208 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1 ZINC001105262255 741589868 /nfs/dbraw/zinc/58/98/68/741589868.db2.gz QYWUDWBCBUECTR-INIZCTEOSA-N 2 1 348.426 0.208 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750236 741762076 /nfs/dbraw/zinc/76/20/76/741762076.db2.gz YQYUKRQSZCSUSY-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750236 741762080 /nfs/dbraw/zinc/76/20/80/741762080.db2.gz YQYUKRQSZCSUSY-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC001026892833 742036274 /nfs/dbraw/zinc/03/62/74/742036274.db2.gz CSDDGWFLYHIUET-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC001026892833 742036277 /nfs/dbraw/zinc/03/62/77/742036277.db2.gz CSDDGWFLYHIUET-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccnc2C)C1 ZINC001026892958 742037129 /nfs/dbraw/zinc/03/71/29/742037129.db2.gz FHDKNBPYYLQSOE-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccnc2C)C1 ZINC001026892958 742037134 /nfs/dbraw/zinc/03/71/34/742037134.db2.gz FHDKNBPYYLQSOE-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001026893947 742039860 /nfs/dbraw/zinc/03/98/60/742039860.db2.gz ROCMRSRNGUQDOW-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001026894130 742040208 /nfs/dbraw/zinc/04/02/08/742040208.db2.gz WMBOLIOCIJCACZ-CABCVRRESA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001026894130 742040212 /nfs/dbraw/zinc/04/02/12/742040212.db2.gz WMBOLIOCIJCACZ-CABCVRRESA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001026894292 742040672 /nfs/dbraw/zinc/04/06/72/742040672.db2.gz ZRXSSKNKQSVIEP-HOTGVXAUSA-N 2 1 327.432 0.512 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001026894292 742040676 /nfs/dbraw/zinc/04/06/76/742040676.db2.gz ZRXSSKNKQSVIEP-HOTGVXAUSA-N 2 1 327.432 0.512 20 30 ECEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261951070 743090361 /nfs/dbraw/zinc/09/03/61/743090361.db2.gz HJVAZEYBEAZMEI-IUODEOHRSA-N 3 1 333.484 0.634 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261621704 751833261 /nfs/dbraw/zinc/83/32/61/751833261.db2.gz BZFXSVVVDLKLMJ-QZTJIDSGSA-N 2 1 348.539 0.512 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC000999846725 744939251 /nfs/dbraw/zinc/93/92/51/744939251.db2.gz FWIBNLPEIWSSOZ-OAHLLOKOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ncccn3)C2)CC1 ZINC000999870625 744972603 /nfs/dbraw/zinc/97/26/03/744972603.db2.gz OADVPUPHDNAYQB-UHFFFAOYSA-N 2 1 341.459 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nc(C)no3)C2)CC1 ZINC000999871018 744973600 /nfs/dbraw/zinc/97/36/00/744973600.db2.gz RXJHZOCQAFXJRZ-UHFFFAOYSA-N 2 1 345.447 0.802 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960086 745101675 /nfs/dbraw/zinc/10/16/75/745101675.db2.gz BMGLPOZSFDANOD-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960086 745101678 /nfs/dbraw/zinc/10/16/78/745101678.db2.gz BMGLPOZSFDANOD-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960086 745101680 /nfs/dbraw/zinc/10/16/80/745101680.db2.gz BMGLPOZSFDANOD-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342573 747579382 /nfs/dbraw/zinc/57/93/82/747579382.db2.gz LLNXCTJVACPQBU-DOTOQJQBSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342573 747579389 /nfs/dbraw/zinc/57/93/89/747579389.db2.gz LLNXCTJVACPQBU-DOTOQJQBSA-N 2 1 344.463 0.954 20 30 ECEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000303908244 748177545 /nfs/dbraw/zinc/17/75/45/748177545.db2.gz XJILRHSWMVZYTM-JKSUJKDBSA-N 2 1 325.501 0.733 20 30 ECEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303908244 748177548 /nfs/dbraw/zinc/17/75/48/748177548.db2.gz XJILRHSWMVZYTM-JKSUJKDBSA-N 3 1 325.501 0.733 20 30 ECEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000303908244 748177553 /nfs/dbraw/zinc/17/75/53/748177553.db2.gz XJILRHSWMVZYTM-JKSUJKDBSA-N 3 1 325.501 0.733 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973867 749096633 /nfs/dbraw/zinc/09/66/33/749096633.db2.gz GQXZFOXEMWEJLA-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)[C@H](CC)C(N)=O)CC2)CC1 ZINC000985804494 749141317 /nfs/dbraw/zinc/14/13/17/749141317.db2.gz QJEXPYLQWSRWDZ-QGZVFWFLSA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)[C@@H](CC)C(N)=O)CC2)CC1 ZINC000985804492 749141389 /nfs/dbraw/zinc/14/13/89/749141389.db2.gz QJEXPYLQWSRWDZ-KRWDZBQOSA-N 2 1 348.491 0.518 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914103 749586511 /nfs/dbraw/zinc/58/65/11/749586511.db2.gz QWPALEQHKCSBNJ-CVEARBPZSA-N 2 1 345.447 0.450 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC(C(=O)OC)CC1 ZINC000262745208 749615733 /nfs/dbraw/zinc/61/57/33/749615733.db2.gz ABMZZTQMDWIPRB-MRXNPFEDSA-N 2 1 342.509 0.884 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184246 750340905 /nfs/dbraw/zinc/34/09/05/750340905.db2.gz LKESHSAYTWFOGK-DLBZAZTESA-N 2 1 348.491 0.790 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)COC3CC[NH+](C)CC3)C2)nn1 ZINC001105352110 750466259 /nfs/dbraw/zinc/46/62/59/750466259.db2.gz PTTNIOPKDPTEDH-UHFFFAOYSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccnn2C)CC1 ZINC001028333834 752412631 /nfs/dbraw/zinc/41/26/31/752412631.db2.gz RPQZXRGKAJGDQW-QGZVFWFLSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccnn2C)CC1 ZINC001028333834 752412635 /nfs/dbraw/zinc/41/26/35/752412635.db2.gz RPQZXRGKAJGDQW-QGZVFWFLSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)CC1 ZINC001028334034 752412832 /nfs/dbraw/zinc/41/28/32/752412832.db2.gz VCLMCWLYPKNFBQ-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H]2CCCNC2=O)CC1 ZINC001028333813 752413183 /nfs/dbraw/zinc/41/31/83/752413183.db2.gz RHQRJYKTFDJKOD-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001028334053 752413686 /nfs/dbraw/zinc/41/36/86/752413686.db2.gz VLDWYHGZRGAYMF-HOTGVXAUSA-N 2 1 334.464 0.176 20 30 ECEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001167916195 752475607 /nfs/dbraw/zinc/47/56/07/752475607.db2.gz KNDMLNILIAKDSI-IBGZPJMESA-N 2 1 333.476 0.998 20 30 ECEDMP C[NH+]=C(NCC1(O)CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261709424 752654447 /nfs/dbraw/zinc/65/44/47/752654447.db2.gz JWNSYDAPLRJTFL-MRXNPFEDSA-N 2 1 338.496 0.911 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000261712164 752698100 /nfs/dbraw/zinc/69/81/00/752698100.db2.gz VKTJSTUTRYVFQD-OAGGEKHMSA-N 2 1 338.496 0.943 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001098646618 752966478 /nfs/dbraw/zinc/96/64/78/752966478.db2.gz QNMWQIGIKGYKMP-KRWDZBQOSA-N 2 1 349.475 0.424 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372621 753671981 /nfs/dbraw/zinc/67/19/81/753671981.db2.gz PWWOZQZDURFJHS-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098683263 753694691 /nfs/dbraw/zinc/69/46/91/753694691.db2.gz VTWOPANHHVWMEE-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683263 753694698 /nfs/dbraw/zinc/69/46/98/753694698.db2.gz VTWOPANHHVWMEE-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406499 753709899 /nfs/dbraw/zinc/70/98/99/753709899.db2.gz ORFIHEWPQSIZSW-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406499 753709901 /nfs/dbraw/zinc/70/99/01/753709901.db2.gz ORFIHEWPQSIZSW-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)CC1 ZINC000989734839 754366506 /nfs/dbraw/zinc/36/65/06/754366506.db2.gz GYECKDVCRNNEAL-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)CC1 ZINC000989734839 754366514 /nfs/dbraw/zinc/36/65/14/754366514.db2.gz GYECKDVCRNNEAL-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C[C@H]2C)CC1 ZINC000989829226 754498799 /nfs/dbraw/zinc/49/87/99/754498799.db2.gz PJRWYPADXQFGHY-ZBFHGGJFSA-N 2 1 344.463 0.239 20 30 ECEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261856661 754603346 /nfs/dbraw/zinc/60/33/46/754603346.db2.gz XXUGPQIKLKQFOT-GDBMZVCRSA-N 2 1 342.509 0.084 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345315 754763290 /nfs/dbraw/zinc/76/32/90/754763290.db2.gz PDZSVBPUNFCFQB-HNNXBMFYSA-N 2 1 338.496 0.893 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001011314854 757491762 /nfs/dbraw/zinc/49/17/62/757491762.db2.gz OFOBEEZQIIIXGT-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001011314854 757491766 /nfs/dbraw/zinc/49/17/66/757491766.db2.gz OFOBEEZQIIIXGT-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001011314854 757491771 /nfs/dbraw/zinc/49/17/71/757491771.db2.gz OFOBEEZQIIIXGT-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001011314854 757491774 /nfs/dbraw/zinc/49/17/74/757491774.db2.gz OFOBEEZQIIIXGT-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001076917667 757590342 /nfs/dbraw/zinc/59/03/42/757590342.db2.gz QIQNPFBHDHDJDJ-DOTOQJQBSA-N 2 1 348.491 0.294 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014071 757941108 /nfs/dbraw/zinc/94/11/08/757941108.db2.gz AXKFRTVCYPZYTM-HZPDHXFCSA-N 2 1 335.452 0.186 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229103 757990595 /nfs/dbraw/zinc/99/05/95/757990595.db2.gz CEMBGPTVUFJVLQ-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229103 757990596 /nfs/dbraw/zinc/99/05/96/757990596.db2.gz CEMBGPTVUFJVLQ-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780107 758633202 /nfs/dbraw/zinc/63/32/02/758633202.db2.gz VYBATELOAPOMHJ-SJORKVTESA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780107 758633203 /nfs/dbraw/zinc/63/32/03/758633203.db2.gz VYBATELOAPOMHJ-SJORKVTESA-N 2 1 346.406 0.766 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098673033 760104418 /nfs/dbraw/zinc/10/44/18/760104418.db2.gz LUELXTFJWFPQFU-FVQBIDKESA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098673033 760104424 /nfs/dbraw/zinc/10/44/24/760104424.db2.gz LUELXTFJWFPQFU-FVQBIDKESA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050543167 760462489 /nfs/dbraw/zinc/46/24/89/760462489.db2.gz VRPHGXNGSDOWTK-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)CC1 ZINC001048589981 760766608 /nfs/dbraw/zinc/76/66/08/760766608.db2.gz GKPUTONUIODCQL-ACHSLPGTSA-N 2 1 346.475 0.176 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014464647 762720782 /nfs/dbraw/zinc/72/07/82/762720782.db2.gz UZKQDHBLNIBNAT-KURKYZTESA-N 2 1 333.476 0.947 20 30 ECEDMP N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052029054 763624694 /nfs/dbraw/zinc/62/46/94/763624694.db2.gz WVZWADHFIUBQIZ-IRXDYDNUSA-N 2 1 331.464 0.070 20 30 ECEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052700 763717007 /nfs/dbraw/zinc/71/70/07/763717007.db2.gz VGOYBAJHLRKMKG-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407770 764250977 /nfs/dbraw/zinc/25/09/77/764250977.db2.gz OYDVTTKBTGBVGC-ULQDDVLXSA-N 2 1 337.464 0.319 20 30 ECEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407770 764250984 /nfs/dbraw/zinc/25/09/84/764250984.db2.gz OYDVTTKBTGBVGC-ULQDDVLXSA-N 2 1 337.464 0.319 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407770 764250991 /nfs/dbraw/zinc/25/09/91/764250991.db2.gz OYDVTTKBTGBVGC-ULQDDVLXSA-N 2 1 337.464 0.319 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407770 764250999 /nfs/dbraw/zinc/25/09/99/764250999.db2.gz OYDVTTKBTGBVGC-ULQDDVLXSA-N 2 1 337.464 0.319 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473743 764445021 /nfs/dbraw/zinc/44/50/21/764445021.db2.gz WRTQHSSHEOEKGK-OALUTQOASA-N 2 1 343.471 0.931 20 30 ECEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473743 764445026 /nfs/dbraw/zinc/44/50/26/764445026.db2.gz WRTQHSSHEOEKGK-OALUTQOASA-N 2 1 343.471 0.931 20 30 ECEDMP C#CCNCc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766840 764572074 /nfs/dbraw/zinc/57/20/74/764572074.db2.gz HGZVBEPZUUCJBC-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937684 764800414 /nfs/dbraw/zinc/80/04/14/764800414.db2.gz WPDVFZHWYMHMDM-XGVWBKLPSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937684 764800422 /nfs/dbraw/zinc/80/04/22/764800422.db2.gz WPDVFZHWYMHMDM-XGVWBKLPSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937684 764800429 /nfs/dbraw/zinc/80/04/29/764800429.db2.gz WPDVFZHWYMHMDM-XGVWBKLPSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@@H]2C)CC1 ZINC001089059915 764916865 /nfs/dbraw/zinc/91/68/65/764916865.db2.gz IOWOPTHWPUCYHW-QAPCUYQASA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001052954562 765410850 /nfs/dbraw/zinc/41/08/50/765410850.db2.gz OXDISGJRXMETKL-ZBFHGGJFSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001077507658 765971875 /nfs/dbraw/zinc/97/18/75/765971875.db2.gz SBELHFICZCGSPE-HOTGVXAUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001077507658 765971879 /nfs/dbraw/zinc/97/18/79/765971879.db2.gz SBELHFICZCGSPE-HOTGVXAUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034708 766716601 /nfs/dbraw/zinc/71/66/01/766716601.db2.gz XZRGOYAUBUZYSE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034708 766716606 /nfs/dbraw/zinc/71/66/06/766716606.db2.gz XZRGOYAUBUZYSE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034708 766716612 /nfs/dbraw/zinc/71/66/12/766716612.db2.gz XZRGOYAUBUZYSE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035028 766717266 /nfs/dbraw/zinc/71/72/66/766717266.db2.gz BJKRUGZIVHCCFY-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035028 766717274 /nfs/dbraw/zinc/71/72/74/766717274.db2.gz BJKRUGZIVHCCFY-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035028 766717284 /nfs/dbraw/zinc/71/72/84/766717284.db2.gz BJKRUGZIVHCCFY-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000994756133 766723619 /nfs/dbraw/zinc/72/36/19/766723619.db2.gz UIJSREAGWCZTQY-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000994756133 766723628 /nfs/dbraw/zinc/72/36/28/766723628.db2.gz UIJSREAGWCZTQY-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000994756133 766723639 /nfs/dbraw/zinc/72/36/39/766723639.db2.gz UIJSREAGWCZTQY-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000994756133 766723646 /nfs/dbraw/zinc/72/36/46/766723646.db2.gz UIJSREAGWCZTQY-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741504 766829224 /nfs/dbraw/zinc/82/92/24/766829224.db2.gz YEPURBYMIDPPOF-ZEVUXNIQSA-N 2 1 343.471 0.844 20 30 ECEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741501 766829259 /nfs/dbraw/zinc/82/92/59/766829259.db2.gz YEPURBYMIDPPOF-ASPXRTSYSA-N 2 1 343.471 0.844 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075918 766900463 /nfs/dbraw/zinc/90/04/63/766900463.db2.gz IHNNSQLLQFUYIZ-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075918 766900469 /nfs/dbraw/zinc/90/04/69/766900469.db2.gz IHNNSQLLQFUYIZ-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075918 766900475 /nfs/dbraw/zinc/90/04/75/766900475.db2.gz IHNNSQLLQFUYIZ-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055602155 769233995 /nfs/dbraw/zinc/23/39/95/769233995.db2.gz RIJMQELSNKTSLS-HUUCEWRRSA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055631792 769303928 /nfs/dbraw/zinc/30/39/28/769303928.db2.gz KQNXJSCYOOOCDU-HUUCEWRRSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020250695 772350616 /nfs/dbraw/zinc/35/06/16/772350616.db2.gz LMLXUCGERRIVDV-VQHPVUNQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020250695 772350623 /nfs/dbraw/zinc/35/06/23/772350623.db2.gz LMLXUCGERRIVDV-VQHPVUNQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cn(C)nn2)CC1 ZINC001045321017 775407657 /nfs/dbraw/zinc/40/76/57/775407657.db2.gz CBPMKVJCTMXORZ-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nncn2C)CC1 ZINC001045321601 775410768 /nfs/dbraw/zinc/41/07/68/775410768.db2.gz XWUXZFBXXQLRRK-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001079804877 776905768 /nfs/dbraw/zinc/90/57/68/776905768.db2.gz QNJYCEPYFJVHCN-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001079804877 776905777 /nfs/dbraw/zinc/90/57/77/776905777.db2.gz QNJYCEPYFJVHCN-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076348 790522746 /nfs/dbraw/zinc/52/27/46/790522746.db2.gz MOIRAIIMKBACAK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076348 790522753 /nfs/dbraw/zinc/52/27/53/790522753.db2.gz MOIRAIIMKBACAK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076348 790522758 /nfs/dbraw/zinc/52/27/58/790522758.db2.gz MOIRAIIMKBACAK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158885 790783479 /nfs/dbraw/zinc/78/34/79/790783479.db2.gz WHXLBAXNUKUXSG-MCIONIFRSA-N 2 1 338.843 0.466 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158885 790783487 /nfs/dbraw/zinc/78/34/87/790783487.db2.gz WHXLBAXNUKUXSG-MCIONIFRSA-N 2 1 338.843 0.466 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259890 780931846 /nfs/dbraw/zinc/93/18/46/780931846.db2.gz UAFKEQITGMXBLR-OKZBNKHCSA-N 2 1 345.487 0.901 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206172 783655617 /nfs/dbraw/zinc/65/56/17/783655617.db2.gz KBRPFLDKWZQOCR-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001070422736 784035510 /nfs/dbraw/zinc/03/55/10/784035510.db2.gz HKTZPXXWCACVIF-HNNXBMFYSA-N 2 1 329.448 0.790 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475294 784155678 /nfs/dbraw/zinc/15/56/78/784155678.db2.gz MHXKZGBNLNUOTP-UAGQMJEPSA-N 2 1 331.464 0.974 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070505998 784203446 /nfs/dbraw/zinc/20/34/46/784203446.db2.gz SMYKFZBNRNXKLJ-UAGQMJEPSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964732 784249259 /nfs/dbraw/zinc/24/92/59/784249259.db2.gz WSCCZCAGTKETTF-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964732 784249265 /nfs/dbraw/zinc/24/92/65/784249265.db2.gz WSCCZCAGTKETTF-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964732 784249271 /nfs/dbraw/zinc/24/92/71/784249271.db2.gz WSCCZCAGTKETTF-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964732 784249273 /nfs/dbraw/zinc/24/92/73/784249273.db2.gz WSCCZCAGTKETTF-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071015670 784421950 /nfs/dbraw/zinc/42/19/50/784421950.db2.gz OSEQAIBBKFYGIW-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071015670 784421955 /nfs/dbraw/zinc/42/19/55/784421955.db2.gz OSEQAIBBKFYGIW-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001071015670 784421958 /nfs/dbraw/zinc/42/19/58/784421958.db2.gz OSEQAIBBKFYGIW-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001071015670 784421963 /nfs/dbraw/zinc/42/19/63/784421963.db2.gz OSEQAIBBKFYGIW-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070717876 784591804 /nfs/dbraw/zinc/59/18/04/784591804.db2.gz ACWRFBGSXPSPAZ-ARFHVFGLSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071225679 784782151 /nfs/dbraw/zinc/78/21/51/784782151.db2.gz NUDIITXRIWCNRS-APWZRJJASA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603928 786755677 /nfs/dbraw/zinc/75/56/77/786755677.db2.gz SBLZFPMYXDMWPZ-MRXNPFEDSA-N 2 1 347.463 0.289 20 30 ECEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710376 787021038 /nfs/dbraw/zinc/02/10/38/787021038.db2.gz YSRARLIDGWKDKD-GARNVTTQSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710376 787021045 /nfs/dbraw/zinc/02/10/45/787021045.db2.gz YSRARLIDGWKDKD-GARNVTTQSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710376 787021050 /nfs/dbraw/zinc/02/10/50/787021050.db2.gz YSRARLIDGWKDKD-GARNVTTQSA-N 2 1 335.448 0.243 20 30 ECEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741961 787098604 /nfs/dbraw/zinc/09/86/04/787098604.db2.gz ZLJSZOYMNKOCBY-IAGOWNOFSA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741961 787098614 /nfs/dbraw/zinc/09/86/14/787098614.db2.gz ZLJSZOYMNKOCBY-IAGOWNOFSA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741961 787098627 /nfs/dbraw/zinc/09/86/27/787098627.db2.gz ZLJSZOYMNKOCBY-IAGOWNOFSA-N 2 1 337.464 0.326 20 30 ECEDMP C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965806 790252648 /nfs/dbraw/zinc/25/26/48/790252648.db2.gz HPYCLULBBYTKLY-IKGGRYGDSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267565496 837781803 /nfs/dbraw/zinc/78/18/03/837781803.db2.gz NYQQJOITFFRELM-CVEARBPZSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267565496 837781812 /nfs/dbraw/zinc/78/18/12/837781812.db2.gz NYQQJOITFFRELM-CVEARBPZSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267565496 837781818 /nfs/dbraw/zinc/78/18/18/837781818.db2.gz NYQQJOITFFRELM-CVEARBPZSA-N 2 1 336.480 0.459 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266565476 835994884 /nfs/dbraw/zinc/99/48/84/835994884.db2.gz ZMQUQKUHYWAIQT-MRXNPFEDSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266565476 835994892 /nfs/dbraw/zinc/99/48/92/835994892.db2.gz ZMQUQKUHYWAIQT-MRXNPFEDSA-N 2 1 348.491 0.581 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266752519 836245722 /nfs/dbraw/zinc/24/57/22/836245722.db2.gz SXNMTPOTPWYQJH-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266752519 836245732 /nfs/dbraw/zinc/24/57/32/836245732.db2.gz SXNMTPOTPWYQJH-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266752519 836245741 /nfs/dbraw/zinc/24/57/41/836245741.db2.gz SXNMTPOTPWYQJH-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266980680 836556044 /nfs/dbraw/zinc/55/60/44/836556044.db2.gz BIIXUVUOIOSJQG-CYBMUJFWSA-N 2 1 342.403 0.277 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cnc(C)cn1 ZINC001267200078 836971963 /nfs/dbraw/zinc/97/19/63/836971963.db2.gz CXOMNJYEVSLZGH-RDJZCZTQSA-N 2 1 329.448 0.992 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cnc(C)cn1 ZINC001267200078 836971971 /nfs/dbraw/zinc/97/19/71/836971971.db2.gz CXOMNJYEVSLZGH-RDJZCZTQSA-N 2 1 329.448 0.992 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267245826 837060726 /nfs/dbraw/zinc/06/07/26/837060726.db2.gz UTBRXOZDGFQDOX-MRXNPFEDSA-N 2 1 348.491 0.840 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CC)CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267245826 837060730 /nfs/dbraw/zinc/06/07/30/837060730.db2.gz UTBRXOZDGFQDOX-MRXNPFEDSA-N 2 1 348.491 0.840 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266570 837103065 /nfs/dbraw/zinc/10/30/65/837103065.db2.gz GTHMARJXTAGZCA-JKSUJKDBSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266570 837103070 /nfs/dbraw/zinc/10/30/70/837103070.db2.gz GTHMARJXTAGZCA-JKSUJKDBSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274238 837116567 /nfs/dbraw/zinc/11/65/67/837116567.db2.gz MELYDFYXHSRBBI-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N(C)CC)C1 ZINC001267585632 837861666 /nfs/dbraw/zinc/86/16/66/837861666.db2.gz YVMJAUGBODLBTQ-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N(C)CC)C1 ZINC001267585632 837861680 /nfs/dbraw/zinc/86/16/80/837861680.db2.gz YVMJAUGBODLBTQ-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(=O)N(C)CC)C1 ZINC001267585632 837861697 /nfs/dbraw/zinc/86/16/97/837861697.db2.gz YVMJAUGBODLBTQ-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(=O)N(C)CC)C1 ZINC001267585632 837861718 /nfs/dbraw/zinc/86/17/18/837861718.db2.gz YVMJAUGBODLBTQ-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267700390 838297172 /nfs/dbraw/zinc/29/71/72/838297172.db2.gz BOHHIQPUJWSRRS-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267734861 838428832 /nfs/dbraw/zinc/42/88/32/838428832.db2.gz CFQCYAWJRGCCRR-CVEARBPZSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267734861 838428835 /nfs/dbraw/zinc/42/88/35/838428835.db2.gz CFQCYAWJRGCCRR-CVEARBPZSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)nnn1CC ZINC001267989605 838934504 /nfs/dbraw/zinc/93/45/04/838934504.db2.gz MXPHVSMEOCFQOJ-HOCLYGCPSA-N 2 1 346.479 0.546 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)nnn1CC ZINC001267989605 838934510 /nfs/dbraw/zinc/93/45/10/838934510.db2.gz MXPHVSMEOCFQOJ-HOCLYGCPSA-N 2 1 346.479 0.546 20 30 ECEDMP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025770 839024621 /nfs/dbraw/zinc/02/46/21/839024621.db2.gz KOOATGZVPHRPHJ-SJORKVTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025770 839024633 /nfs/dbraw/zinc/02/46/33/839024633.db2.gz KOOATGZVPHRPHJ-SJORKVTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)C1=O ZINC001268033287 839080852 /nfs/dbraw/zinc/08/08/52/839080852.db2.gz LDDZNENXQYMKLW-HOTGVXAUSA-N 2 1 348.491 0.886 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+](C)CCOCc2ccccc2)CC1 ZINC000154693550 436783994 /nfs/dbraw/zinc/78/39/94/436783994.db2.gz LDSZZCOCHWLMTP-UHFFFAOYSA-N 2 1 329.444 0.912 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1 ZINC000274808766 436876239 /nfs/dbraw/zinc/87/62/39/436876239.db2.gz UYYWERXOLQZOLM-MRXNPFEDSA-N 2 1 346.479 0.807 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261962928 436898684 /nfs/dbraw/zinc/89/86/84/436898684.db2.gz KRHJDDQLSAGRPS-UHFFFAOYSA-N 2 1 327.454 0.276 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000264249794 437018244 /nfs/dbraw/zinc/01/82/44/437018244.db2.gz GTSMVQFXOMFXRI-QGZVFWFLSA-N 2 1 343.475 0.960 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000304748158 437160736 /nfs/dbraw/zinc/16/07/36/437160736.db2.gz GXIUQPSTSPYZNY-ZDUSSCGKSA-N 2 1 325.457 0.853 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000343734743 437640369 /nfs/dbraw/zinc/64/03/69/437640369.db2.gz DUZWSAVRYJCNAW-UHFFFAOYSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478163 437657209 /nfs/dbraw/zinc/65/72/09/437657209.db2.gz AENGIXGRRBTQCH-CVEARBPZSA-N 2 1 334.464 0.496 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340831184 437748966 /nfs/dbraw/zinc/74/89/66/437748966.db2.gz SYUKZGNKBPDORA-IAGOWNOFSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(c2ccccn2)CC1 ZINC000363678959 437805137 /nfs/dbraw/zinc/80/51/37/437805137.db2.gz SKPFJOYYLZVBTB-UHFFFAOYSA-N 2 1 331.420 0.994 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367170012 438177315 /nfs/dbraw/zinc/17/73/15/438177315.db2.gz DWJQRQOQWSRMMU-IRXDYDNUSA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367170012 438177320 /nfs/dbraw/zinc/17/73/20/438177320.db2.gz DWJQRQOQWSRMMU-IRXDYDNUSA-N 2 1 335.496 0.706 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000378448453 438390644 /nfs/dbraw/zinc/39/06/44/438390644.db2.gz CVMXCWQVGPEUAL-TWMKSMIVSA-N 2 1 334.464 0.980 20 30 ECEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451598704 438700249 /nfs/dbraw/zinc/70/02/49/438700249.db2.gz LZFPWHZHJIDDOR-XHSDSOJGSA-N 2 1 325.453 0.393 20 30 ECEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000518172000 438988769 /nfs/dbraw/zinc/98/87/69/438988769.db2.gz LPGPGOIECNMUQW-RBUKOAKNSA-N 2 1 346.475 0.549 20 30 ECEDMP C#CCNC(=O)CC[N@H+](C)[C@H]1CCC[NH+](CCC(=O)NCC#C)CC1 ZINC000491425577 439380177 /nfs/dbraw/zinc/38/01/77/439380177.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 2 1 346.475 0.052 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CCC[N@H+](CCC(=O)NCC#C)CC1 ZINC000491425577 439380185 /nfs/dbraw/zinc/38/01/85/439380185.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 2 1 346.475 0.052 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)NCC#C)CC1 ZINC000491425577 439380188 /nfs/dbraw/zinc/38/01/88/439380188.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 2 1 346.475 0.052 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735981 439455532 /nfs/dbraw/zinc/45/55/32/439455532.db2.gz CHQLYRVVWYQMIB-AJNGGQMLSA-N 2 1 338.452 0.605 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000491776491 439448440 /nfs/dbraw/zinc/44/84/40/439448440.db2.gz YGLXOFIAMKMTHN-UHFFFAOYSA-N 2 1 328.416 0.342 20 30 ECEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000584599194 439603340 /nfs/dbraw/zinc/60/33/40/439603340.db2.gz SCOOENVTLQXQAW-DLBZAZTESA-N 2 1 333.432 0.539 20 30 ECEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000600739143 439697667 /nfs/dbraw/zinc/69/76/67/439697667.db2.gz PZBWSSPJPLMLSW-IRXDYDNUSA-N 2 1 333.432 0.734 20 30 ECEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078013154 782136705 /nfs/dbraw/zinc/13/67/05/782136705.db2.gz UWHIXWVKSOZNSN-IAGOWNOFSA-N 2 1 340.427 0.315 20 30 ECEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001078013154 782136714 /nfs/dbraw/zinc/13/67/14/782136714.db2.gz UWHIXWVKSOZNSN-IAGOWNOFSA-N 2 1 340.427 0.315 20 30 ECEDMP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852872207 589520566 /nfs/dbraw/zinc/52/05/66/589520566.db2.gz CPTQFCWBFLPRBL-UHFFFAOYSA-N 2 1 340.471 0.928 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884158175 590757052 /nfs/dbraw/zinc/75/70/52/590757052.db2.gz SXOJULGUMFOUNA-WMZOPIPTSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884158175 590757053 /nfs/dbraw/zinc/75/70/53/590757053.db2.gz SXOJULGUMFOUNA-WMZOPIPTSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884158172 590757420 /nfs/dbraw/zinc/75/74/20/590757420.db2.gz SXOJULGUMFOUNA-AEFFLSMTSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884158172 590757425 /nfs/dbraw/zinc/75/74/25/590757425.db2.gz SXOJULGUMFOUNA-AEFFLSMTSA-N 2 1 348.491 0.884 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C2 ZINC000884219950 590778925 /nfs/dbraw/zinc/77/89/25/590778925.db2.gz BKLIRPOUXMOYBB-XFHVWQCUSA-N 2 1 346.475 0.885 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000938170487 609482688 /nfs/dbraw/zinc/48/26/88/609482688.db2.gz IHKCVQYOKXYKGC-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000938170487 609482690 /nfs/dbraw/zinc/48/26/90/609482690.db2.gz IHKCVQYOKXYKGC-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000938170487 609482692 /nfs/dbraw/zinc/48/26/92/609482692.db2.gz IHKCVQYOKXYKGC-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000938170487 609482696 /nfs/dbraw/zinc/48/26/96/609482696.db2.gz IHKCVQYOKXYKGC-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000938549574 609864012 /nfs/dbraw/zinc/86/40/12/609864012.db2.gz TXNNEFUABFGUTR-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000938549574 609864014 /nfs/dbraw/zinc/86/40/14/609864014.db2.gz TXNNEFUABFGUTR-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP COCC[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912505638 609962739 /nfs/dbraw/zinc/96/27/39/609962739.db2.gz BLRNODHZQNQWRN-OAHLLOKOSA-N 2 1 327.517 0.850 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941470787 610329536 /nfs/dbraw/zinc/32/95/36/610329536.db2.gz HNCYEKKYYDOBFG-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470787 610329538 /nfs/dbraw/zinc/32/95/38/610329538.db2.gz HNCYEKKYYDOBFG-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941470789 610329681 /nfs/dbraw/zinc/32/96/81/610329681.db2.gz HNCYEKKYYDOBFG-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470789 610329683 /nfs/dbraw/zinc/32/96/83/610329683.db2.gz HNCYEKKYYDOBFG-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000941464906 610333802 /nfs/dbraw/zinc/33/38/02/610333802.db2.gz BVFHTULZCSCTQP-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000941487154 610338393 /nfs/dbraw/zinc/33/83/93/610338393.db2.gz FOGLQTWEOHDDGT-UHFFFAOYSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000941671257 610444719 /nfs/dbraw/zinc/44/47/19/610444719.db2.gz FRMDZQYMVYIZFA-KRWDZBQOSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000941671257 610444720 /nfs/dbraw/zinc/44/47/20/610444720.db2.gz FRMDZQYMVYIZFA-KRWDZBQOSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000944097849 611130693 /nfs/dbraw/zinc/13/06/93/611130693.db2.gz NKUPSBHBBYMZIG-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000944097849 611130694 /nfs/dbraw/zinc/13/06/94/611130694.db2.gz NKUPSBHBBYMZIG-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000944097849 611130695 /nfs/dbraw/zinc/13/06/95/611130695.db2.gz NKUPSBHBBYMZIG-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000944097849 611130696 /nfs/dbraw/zinc/13/06/96/611130696.db2.gz NKUPSBHBBYMZIG-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP CC#CCN1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496091 612006624 /nfs/dbraw/zinc/00/66/24/612006624.db2.gz QOQNMVSHWWWGOY-UHFFFAOYSA-N 2 1 349.475 0.425 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCOCC2)CC1 ZINC001039042900 731975482 /nfs/dbraw/zinc/97/54/82/731975482.db2.gz ZOLCQHCFSSHIHB-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000973105137 738750324 /nfs/dbraw/zinc/75/03/24/738750324.db2.gz WXDYMKDJVGJNSJ-ULQDDVLXSA-N 2 1 346.475 0.189 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970745112 733901979 /nfs/dbraw/zinc/90/19/79/733901979.db2.gz JEBHVTYONKKPHT-ZBFHGGJFSA-N 2 1 346.475 0.306 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104354024 734611581 /nfs/dbraw/zinc/61/15/81/734611581.db2.gz OXDQLRZWUJKLAK-BRWVUGGUSA-N 2 1 348.491 0.294 20 30 ECEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566542 735835843 /nfs/dbraw/zinc/83/58/43/735835843.db2.gz BCISUUPTGXTYCQ-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566542 735835849 /nfs/dbraw/zinc/83/58/49/735835849.db2.gz BCISUUPTGXTYCQ-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566542 735835854 /nfs/dbraw/zinc/83/58/54/735835854.db2.gz BCISUUPTGXTYCQ-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566542 735835857 /nfs/dbraw/zinc/83/58/57/735835857.db2.gz BCISUUPTGXTYCQ-KRWDZBQOSA-N 2 1 339.480 0.569 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCF)CCO2 ZINC000972417509 736158491 /nfs/dbraw/zinc/15/84/91/736158491.db2.gz YQMRRBHHBRUNPZ-WMZOPIPTSA-N 2 1 337.439 0.747 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCF)CCO2 ZINC000972417509 736158493 /nfs/dbraw/zinc/15/84/93/736158493.db2.gz YQMRRBHHBRUNPZ-WMZOPIPTSA-N 2 1 337.439 0.747 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001023130952 736526492 /nfs/dbraw/zinc/52/64/92/736526492.db2.gz OUWTVPQQWXAPBD-VVLHAWIVSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](C)O)CCO3)CC1 ZINC000972686700 737378301 /nfs/dbraw/zinc/37/83/01/737378301.db2.gz BQQYLKVCLSMTDN-QFBILLFUSA-N 2 1 349.475 0.016 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000973410795 739224198 /nfs/dbraw/zinc/22/41/98/739224198.db2.gz PRSAOHWMDLFKQF-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000973410795 739224201 /nfs/dbraw/zinc/22/42/01/739224201.db2.gz PRSAOHWMDLFKQF-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000973410795 739224206 /nfs/dbraw/zinc/22/42/06/739224206.db2.gz PRSAOHWMDLFKQF-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000973410795 739224214 /nfs/dbraw/zinc/22/42/14/739224214.db2.gz PRSAOHWMDLFKQF-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001025629063 739793384 /nfs/dbraw/zinc/79/33/84/739793384.db2.gz ZOYNEQAZXNCWMK-WBVHZDCISA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCC)nn2)C1 ZINC001105262179 741588872 /nfs/dbraw/zinc/58/88/72/741588872.db2.gz LXDPYQQGBLAQTN-INIZCTEOSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCC)nn2)C1 ZINC001105262179 741588873 /nfs/dbraw/zinc/58/88/73/741588873.db2.gz LXDPYQQGBLAQTN-INIZCTEOSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150771 751658598 /nfs/dbraw/zinc/65/85/98/751658598.db2.gz UUUFSRMDOWKHOT-KRWDZBQOSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC001026893455 742037678 /nfs/dbraw/zinc/03/76/78/742037678.db2.gz GXHYWISCQMHLBO-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC001026893455 742037681 /nfs/dbraw/zinc/03/76/81/742037681.db2.gz GXHYWISCQMHLBO-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP Cc1c[nH+]cn1CC(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996783304 742855959 /nfs/dbraw/zinc/85/59/59/742855959.db2.gz QTFXMOACYUISRI-UHFFFAOYSA-N 2 1 344.463 0.760 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000983391664 742935795 /nfs/dbraw/zinc/93/57/95/742935795.db2.gz PMOAZOODSUBDRS-XEZPLFJOSA-N 2 1 348.472 0.935 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000983391664 742935797 /nfs/dbraw/zinc/93/57/97/742935797.db2.gz PMOAZOODSUBDRS-XEZPLFJOSA-N 2 1 348.472 0.935 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003508 743159245 /nfs/dbraw/zinc/15/92/45/743159245.db2.gz MUBPNDXHMWGMFN-IRXDYDNUSA-N 2 1 333.476 0.806 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000997831582 743842044 /nfs/dbraw/zinc/84/20/44/743842044.db2.gz JQAKZWVWJNCAMJ-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000997831582 743842046 /nfs/dbraw/zinc/84/20/46/743842046.db2.gz JQAKZWVWJNCAMJ-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998922998 744407673 /nfs/dbraw/zinc/40/76/73/744407673.db2.gz LOQHSPZQZXHTBS-JCYILVPMSA-N 2 1 329.448 0.597 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998922998 744407677 /nfs/dbraw/zinc/40/76/77/744407677.db2.gz LOQHSPZQZXHTBS-JCYILVPMSA-N 2 1 329.448 0.597 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC#CCOC)CC2)C1 ZINC001168241087 751961851 /nfs/dbraw/zinc/96/18/51/751961851.db2.gz QMPJDTIYKYPIJG-MRXNPFEDSA-N 2 1 337.464 0.233 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC#CCOC)CC2)C1 ZINC001168241087 751961857 /nfs/dbraw/zinc/96/18/57/751961857.db2.gz QMPJDTIYKYPIJG-MRXNPFEDSA-N 2 1 337.464 0.233 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987967 745143512 /nfs/dbraw/zinc/14/35/12/745143512.db2.gz RQUIBDDTCLTRSN-DLBZAZTESA-N 2 1 342.447 0.116 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650310 745338648 /nfs/dbraw/zinc/33/86/48/745338648.db2.gz CHKQHIOXBGYUMF-ZBFHGGJFSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650310 745338653 /nfs/dbraw/zinc/33/86/53/745338653.db2.gz CHKQHIOXBGYUMF-ZBFHGGJFSA-N 2 1 348.491 0.293 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551199 746419902 /nfs/dbraw/zinc/41/99/02/746419902.db2.gz DLCDTOZFSWKEAP-PIMZTRDMSA-N 2 1 331.460 0.720 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551199 746419906 /nfs/dbraw/zinc/41/99/06/746419906.db2.gz DLCDTOZFSWKEAP-PIMZTRDMSA-N 2 1 331.460 0.720 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551199 746419908 /nfs/dbraw/zinc/41/99/08/746419908.db2.gz DLCDTOZFSWKEAP-PIMZTRDMSA-N 2 1 331.460 0.720 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000978952030 746944679 /nfs/dbraw/zinc/94/46/79/746944679.db2.gz FSGJXBCHKFGLJX-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978952030 746944685 /nfs/dbraw/zinc/94/46/85/746944685.db2.gz FSGJXBCHKFGLJX-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000978952030 746944688 /nfs/dbraw/zinc/94/46/88/746944688.db2.gz FSGJXBCHKFGLJX-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000978952030 746944694 /nfs/dbraw/zinc/94/46/94/746944694.db2.gz FSGJXBCHKFGLJX-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047375 747144856 /nfs/dbraw/zinc/14/48/56/747144856.db2.gz VBKJDALHZYHTTP-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047375 747144861 /nfs/dbraw/zinc/14/48/61/747144861.db2.gz VBKJDALHZYHTTP-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047375 747144871 /nfs/dbraw/zinc/14/48/71/747144871.db2.gz VBKJDALHZYHTTP-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP Cc1cccc2[nH]c(CNC(=[NH2+])NCCC[NH+]3CCOCC3)nc21 ZINC000305709173 748388980 /nfs/dbraw/zinc/38/89/80/748388980.db2.gz JCTSVZWXLHYMSP-UHFFFAOYSA-N 2 1 330.436 0.998 20 30 ECEDMP C[C@@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)N1 ZINC000262671292 749254374 /nfs/dbraw/zinc/25/43/74/749254374.db2.gz RBJRHXDZYDTADF-CZUORRHYSA-N 2 1 329.448 0.821 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001168138994 749540341 /nfs/dbraw/zinc/54/03/41/749540341.db2.gz WMOUFTJWCTVRTE-CVEARBPZSA-N 2 1 348.491 0.601 20 30 ECEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262793928 749777152 /nfs/dbraw/zinc/77/71/52/749777152.db2.gz OUGPKZPAYQNYRM-QWHCGFSZSA-N 2 1 333.484 0.776 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153675 750105995 /nfs/dbraw/zinc/10/59/95/750105995.db2.gz PLWRFYXPAFGZDV-UHFFFAOYSA-N 2 1 333.436 0.370 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184263 750340312 /nfs/dbraw/zinc/34/03/12/750340312.db2.gz LKESHSAYTWFOGK-SJORKVTESA-N 2 1 348.491 0.790 20 30 ECEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812667 751133833 /nfs/dbraw/zinc/13/38/33/751133833.db2.gz SIZOVOIOMKLIKB-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812667 751133835 /nfs/dbraw/zinc/13/38/35/751133835.db2.gz SIZOVOIOMKLIKB-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](CC)C(N)=O)CC1 ZINC001028334056 752414477 /nfs/dbraw/zinc/41/44/77/752414477.db2.gz VLDWYHGZRGAYMF-JKSUJKDBSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001021089643 752528709 /nfs/dbraw/zinc/52/87/09/752528709.db2.gz GKEKYHDVDUVVCH-SHTZXODSSA-N 2 1 345.447 0.714 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000261712161 752698194 /nfs/dbraw/zinc/69/81/94/752698194.db2.gz VKTJSTUTRYVFQD-BZUAXINKSA-N 2 1 338.496 0.943 20 30 ECEDMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467479 752761268 /nfs/dbraw/zinc/76/12/68/752761268.db2.gz XBTXPWMKGNZZTB-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467479 752761274 /nfs/dbraw/zinc/76/12/74/752761274.db2.gz XBTXPWMKGNZZTB-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467479 752761278 /nfs/dbraw/zinc/76/12/78/752761278.db2.gz XBTXPWMKGNZZTB-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467479 752761281 /nfs/dbraw/zinc/76/12/81/752761281.db2.gz XBTXPWMKGNZZTB-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467479 752761285 /nfs/dbraw/zinc/76/12/85/752761285.db2.gz XBTXPWMKGNZZTB-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000988963841 753087460 /nfs/dbraw/zinc/08/74/60/753087460.db2.gz GOSZVSWTBBWUFA-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000988963841 753087464 /nfs/dbraw/zinc/08/74/64/753087464.db2.gz GOSZVSWTBBWUFA-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000988963841 753087468 /nfs/dbraw/zinc/08/74/68/753087468.db2.gz GOSZVSWTBBWUFA-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000988963841 753087473 /nfs/dbraw/zinc/08/74/73/753087473.db2.gz GOSZVSWTBBWUFA-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051493089 762199946 /nfs/dbraw/zinc/19/99/46/762199946.db2.gz HIUUIAQUSJOQIW-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)COC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982685022 753313429 /nfs/dbraw/zinc/31/34/29/753313429.db2.gz ZFGPNYRSOCVGBX-KDURUIRLSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCC)nn2)C1 ZINC001098683069 753693368 /nfs/dbraw/zinc/69/33/68/753693368.db2.gz OYQFASFNOJZWLX-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCC)nn2)C1 ZINC001098683069 753693375 /nfs/dbraw/zinc/69/33/75/753693375.db2.gz OYQFASFNOJZWLX-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406497 753710034 /nfs/dbraw/zinc/71/00/34/753710034.db2.gz ORFIHEWPQSIZSW-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406497 753710036 /nfs/dbraw/zinc/71/00/36/753710036.db2.gz ORFIHEWPQSIZSW-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989480596 754016164 /nfs/dbraw/zinc/01/61/64/754016164.db2.gz IYJZBQSPIWSXFZ-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480596 754016166 /nfs/dbraw/zinc/01/61/66/754016166.db2.gz IYJZBQSPIWSXFZ-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480596 754016173 /nfs/dbraw/zinc/01/61/73/754016173.db2.gz IYJZBQSPIWSXFZ-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480596 754016176 /nfs/dbraw/zinc/01/61/76/754016176.db2.gz IYJZBQSPIWSXFZ-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCn3cncn3)C2)CC1 ZINC001009631401 755094043 /nfs/dbraw/zinc/09/40/43/755094043.db2.gz YBWTWAFZPCGNBZ-KRWDZBQOSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001098662968 756369065 /nfs/dbraw/zinc/36/90/65/756369065.db2.gz RKAIVCBHAHPJIA-OAHLLOKOSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001048869404 757235638 /nfs/dbraw/zinc/23/56/38/757235638.db2.gz WJQWODMAFHVADA-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001048869404 757235641 /nfs/dbraw/zinc/23/56/41/757235641.db2.gz WJQWODMAFHVADA-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001048869404 757235644 /nfs/dbraw/zinc/23/56/44/757235644.db2.gz WJQWODMAFHVADA-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001048869404 757235646 /nfs/dbraw/zinc/23/56/46/757235646.db2.gz WJQWODMAFHVADA-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001048870185 757238136 /nfs/dbraw/zinc/23/81/36/757238136.db2.gz RYWZEAAQGYZJBS-BBWFWOEESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2C1 ZINC001048870185 757238144 /nfs/dbraw/zinc/23/81/44/757238144.db2.gz RYWZEAAQGYZJBS-BBWFWOEESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2C1 ZINC001048870185 757238152 /nfs/dbraw/zinc/23/81/52/757238152.db2.gz RYWZEAAQGYZJBS-BBWFWOEESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ocnc3C)C[C@@H]2C1 ZINC001048870185 757238158 /nfs/dbraw/zinc/23/81/58/757238158.db2.gz RYWZEAAQGYZJBS-BBWFWOEESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001011264473 757333200 /nfs/dbraw/zinc/33/32/00/757333200.db2.gz GERMESGALVFDNC-IRXDYDNUSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001011264473 757333206 /nfs/dbraw/zinc/33/32/06/757333206.db2.gz GERMESGALVFDNC-IRXDYDNUSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943841 757479301 /nfs/dbraw/zinc/47/93/01/757479301.db2.gz HSNJIPPYFVVDES-FNYPPERVSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943841 757479305 /nfs/dbraw/zinc/47/93/05/757479305.db2.gz HSNJIPPYFVVDES-FNYPPERVSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943841 757479308 /nfs/dbraw/zinc/47/93/08/757479308.db2.gz HSNJIPPYFVVDES-FNYPPERVSA-N 2 1 329.444 0.263 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077023524 757996375 /nfs/dbraw/zinc/99/63/75/757996375.db2.gz FBMPWTQONKXCGT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077023524 757996380 /nfs/dbraw/zinc/99/63/80/757996380.db2.gz FBMPWTQONKXCGT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077023524 757996385 /nfs/dbraw/zinc/99/63/85/757996385.db2.gz FBMPWTQONKXCGT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077023524 757996387 /nfs/dbraw/zinc/99/63/87/757996387.db2.gz FBMPWTQONKXCGT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001022103457 758280814 /nfs/dbraw/zinc/28/08/14/758280814.db2.gz HWXFPGVVOQYHTJ-LJIZCISZSA-N 2 1 334.464 0.350 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001051660308 762619032 /nfs/dbraw/zinc/61/90/32/762619032.db2.gz QPSNERYTPJIMIJ-ROUUACIJSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001051660308 762619034 /nfs/dbraw/zinc/61/90/34/762619034.db2.gz QPSNERYTPJIMIJ-ROUUACIJSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001022220811 758441626 /nfs/dbraw/zinc/44/16/26/758441626.db2.gz QOAVNRWHQYGWDS-XHSDSOJGSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001022220811 758441630 /nfs/dbraw/zinc/44/16/30/758441630.db2.gz QOAVNRWHQYGWDS-XHSDSOJGSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611043 758990609 /nfs/dbraw/zinc/99/06/09/758990609.db2.gz NWSCUSZNZKDFAQ-VVJOJPPRSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611043 758990615 /nfs/dbraw/zinc/99/06/15/758990615.db2.gz NWSCUSZNZKDFAQ-VVJOJPPRSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611043 758990620 /nfs/dbraw/zinc/99/06/20/758990620.db2.gz NWSCUSZNZKDFAQ-VVJOJPPRSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781218 759197728 /nfs/dbraw/zinc/19/77/28/759197728.db2.gz KZPHIFDTNUTHGX-SJORKVTESA-N 2 1 329.448 0.757 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001054240903 767853414 /nfs/dbraw/zinc/85/34/14/767853414.db2.gz FYBHHYBHLWASRG-MJGOQNOKSA-N 2 1 333.476 0.902 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001054297515 767906341 /nfs/dbraw/zinc/90/63/41/767906341.db2.gz UILPGVQUBCBARQ-IKGGRYGDSA-N 2 1 348.491 0.838 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050526940 760432374 /nfs/dbraw/zinc/43/23/74/760432374.db2.gz VSRHAZZUZCRMRM-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001106266596 768035334 /nfs/dbraw/zinc/03/53/34/768035334.db2.gz SHUHMIKTCJXIFB-KURKYZTESA-N 2 1 343.475 0.665 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001106266596 768035337 /nfs/dbraw/zinc/03/53/37/768035337.db2.gz SHUHMIKTCJXIFB-KURKYZTESA-N 2 1 343.475 0.665 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849101 763227511 /nfs/dbraw/zinc/22/75/11/763227511.db2.gz BFZMJVNALMGMKH-HNAYVOBHSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001046850579 763232036 /nfs/dbraw/zinc/23/20/36/763232036.db2.gz WVDTUPUQLJRTHB-APWZRJJASA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046926494 763398761 /nfs/dbraw/zinc/39/87/61/763398761.db2.gz PTHCCAQOVBHXDU-KBPBESRZSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046926494 763398766 /nfs/dbraw/zinc/39/87/66/763398766.db2.gz PTHCCAQOVBHXDU-KBPBESRZSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046926494 763398772 /nfs/dbraw/zinc/39/87/72/763398772.db2.gz PTHCCAQOVBHXDU-KBPBESRZSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046926494 763398778 /nfs/dbraw/zinc/39/87/78/763398778.db2.gz PTHCCAQOVBHXDU-KBPBESRZSA-N 2 1 329.391 0.414 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031404 763632505 /nfs/dbraw/zinc/63/25/05/763632505.db2.gz NBZMXWCHGZYDQO-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031404 763632510 /nfs/dbraw/zinc/63/25/10/763632510.db2.gz NBZMXWCHGZYDQO-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572942 764782375 /nfs/dbraw/zinc/78/23/75/764782375.db2.gz RDIZQVREHFYRDC-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572942 764782382 /nfs/dbraw/zinc/78/23/82/764782382.db2.gz RDIZQVREHFYRDC-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572942 764782388 /nfs/dbraw/zinc/78/23/88/764782388.db2.gz RDIZQVREHFYRDC-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089060102 764918530 /nfs/dbraw/zinc/91/85/30/764918530.db2.gz TWBPIBNIDVTZNL-NUJGCVRESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)C2)CC1 ZINC001016328292 766122903 /nfs/dbraw/zinc/12/29/03/766122903.db2.gz CFYHQOFQJDUPPU-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337529 766145014 /nfs/dbraw/zinc/14/50/14/766145014.db2.gz RKRDFGPBOOVVDK-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)O2 ZINC001053601015 766410051 /nfs/dbraw/zinc/41/00/51/766410051.db2.gz YBVREWOWUZRGEI-SJORKVTESA-N 2 1 331.460 0.701 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014494 766647110 /nfs/dbraw/zinc/64/71/10/766647110.db2.gz YDUYRCVOXVNHJE-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014494 766647114 /nfs/dbraw/zinc/64/71/14/766647114.db2.gz YDUYRCVOXVNHJE-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014494 766647119 /nfs/dbraw/zinc/64/71/19/766647119.db2.gz YDUYRCVOXVNHJE-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014494 766647122 /nfs/dbraw/zinc/64/71/22/766647122.db2.gz YDUYRCVOXVNHJE-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029978 766696916 /nfs/dbraw/zinc/69/69/16/766696916.db2.gz HDILDOQODPLFLE-ZWKOTPCHSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001016670278 766698836 /nfs/dbraw/zinc/69/88/36/766698836.db2.gz OVRXMRAZXLNGEV-JKSUJKDBSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001016670278 766698838 /nfs/dbraw/zinc/69/88/38/766698838.db2.gz OVRXMRAZXLNGEV-JKSUJKDBSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046033118 766708966 /nfs/dbraw/zinc/70/89/66/766708966.db2.gz RWEBPELZODXJAS-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033118 766708967 /nfs/dbraw/zinc/70/89/67/766708967.db2.gz RWEBPELZODXJAS-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033118 766708968 /nfs/dbraw/zinc/70/89/68/766708968.db2.gz RWEBPELZODXJAS-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CC)C3)CC2)CC1 ZINC001046087116 766929843 /nfs/dbraw/zinc/92/98/43/766929843.db2.gz UJFWUKOTIQEXKY-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031740508 766984421 /nfs/dbraw/zinc/98/44/21/766984421.db2.gz DTHKRXKBVAERSU-RBUKOAKNSA-N 2 1 341.455 0.866 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031740508 766984426 /nfs/dbraw/zinc/98/44/26/766984426.db2.gz DTHKRXKBVAERSU-RBUKOAKNSA-N 2 1 341.455 0.866 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)CO2 ZINC001053953710 767440488 /nfs/dbraw/zinc/44/04/88/767440488.db2.gz XZFIRKHXCSMAGU-INIZCTEOSA-N 2 1 347.463 0.594 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055538647 769051111 /nfs/dbraw/zinc/05/11/11/769051111.db2.gz IXXZRCQQQMZCEJ-MRXNPFEDSA-N 2 1 336.480 0.744 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055630954 769301968 /nfs/dbraw/zinc/30/19/68/769301968.db2.gz AVYCNIXRYWODFO-HUUCEWRRSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001018985894 770483330 /nfs/dbraw/zinc/48/33/30/770483330.db2.gz LBLRDHIUICOIIC-ULQDDVLXSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001018985894 770483334 /nfs/dbraw/zinc/48/33/34/770483334.db2.gz LBLRDHIUICOIIC-ULQDDVLXSA-N 2 1 346.475 0.191 20 30 ECEDMP CN1CCO[C@H](C(=O)NCC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001031595167 771365244 /nfs/dbraw/zinc/36/52/44/771365244.db2.gz SKDWITRWUDONED-KRWDZBQOSA-N 2 1 328.416 0.437 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001019777873 771786569 /nfs/dbraw/zinc/78/65/69/771786569.db2.gz CIGODMBIFURMCZ-LSDHHAIUSA-N 2 1 331.420 0.169 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020250555 772350471 /nfs/dbraw/zinc/35/04/71/772350471.db2.gz IKDVLYFBGNAHFC-FPCVCCKLSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001020250555 772350477 /nfs/dbraw/zinc/35/04/77/772350477.db2.gz IKDVLYFBGNAHFC-FPCVCCKLSA-N 2 1 342.447 0.100 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664754 775994761 /nfs/dbraw/zinc/99/47/61/775994761.db2.gz OSEMSMHCUUDWEG-CVEARBPZSA-N 2 1 337.464 0.490 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664754 775994768 /nfs/dbraw/zinc/99/47/68/775994768.db2.gz OSEMSMHCUUDWEG-CVEARBPZSA-N 2 1 337.464 0.490 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](CC)CC)C1 ZINC001079817654 776932465 /nfs/dbraw/zinc/93/24/65/776932465.db2.gz JPYCIQGMZSCEPJ-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](CC)CC)C1 ZINC001079817654 776932467 /nfs/dbraw/zinc/93/24/67/776932467.db2.gz JPYCIQGMZSCEPJ-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070402936 783975076 /nfs/dbraw/zinc/97/50/76/783975076.db2.gz IEJYKJVKEXXFQU-DZGCQCFKSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070402936 783975084 /nfs/dbraw/zinc/97/50/84/783975084.db2.gz IEJYKJVKEXXFQU-DZGCQCFKSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070402936 783975091 /nfs/dbraw/zinc/97/50/91/783975091.db2.gz IEJYKJVKEXXFQU-DZGCQCFKSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070402936 783975101 /nfs/dbraw/zinc/97/51/01/783975101.db2.gz IEJYKJVKEXXFQU-DZGCQCFKSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403226 783977257 /nfs/dbraw/zinc/97/72/57/783977257.db2.gz NXCOWRWEICJBGS-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403226 783977263 /nfs/dbraw/zinc/97/72/63/783977263.db2.gz NXCOWRWEICJBGS-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403226 783977270 /nfs/dbraw/zinc/97/72/70/783977270.db2.gz NXCOWRWEICJBGS-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403226 783977277 /nfs/dbraw/zinc/97/72/77/783977277.db2.gz NXCOWRWEICJBGS-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403388 783978503 /nfs/dbraw/zinc/97/85/03/783978503.db2.gz RJXLAHFLVIQSMH-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403388 783978509 /nfs/dbraw/zinc/97/85/09/783978509.db2.gz RJXLAHFLVIQSMH-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403388 783978515 /nfs/dbraw/zinc/97/85/15/783978515.db2.gz RJXLAHFLVIQSMH-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403388 783978524 /nfs/dbraw/zinc/97/85/24/783978524.db2.gz RJXLAHFLVIQSMH-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001071105218 784543116 /nfs/dbraw/zinc/54/31/16/784543116.db2.gz KHWLGUSMQAOUTH-KURKYZTESA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001071105218 784543118 /nfs/dbraw/zinc/54/31/18/784543118.db2.gz KHWLGUSMQAOUTH-KURKYZTESA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710539 784580110 /nfs/dbraw/zinc/58/01/10/784580110.db2.gz GBNUSTCSDQIDDA-BZUAXINKSA-N 2 1 329.448 0.279 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764860 787157610 /nfs/dbraw/zinc/15/76/10/787157610.db2.gz MMNIBLRJHANIDC-SJLPKXTDSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764860 787157612 /nfs/dbraw/zinc/15/76/12/787157612.db2.gz MMNIBLRJHANIDC-SJLPKXTDSA-N 2 1 344.459 0.984 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815441 787249270 /nfs/dbraw/zinc/24/92/70/787249270.db2.gz AMCPHNDCMKLGML-KRWDZBQOSA-N 2 1 347.463 0.289 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859629 787379779 /nfs/dbraw/zinc/37/97/79/787379779.db2.gz PFNJFGKBPAMDSJ-OAHLLOKOSA-N 2 1 330.432 0.992 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859629 787379791 /nfs/dbraw/zinc/37/97/91/787379791.db2.gz PFNJFGKBPAMDSJ-OAHLLOKOSA-N 2 1 330.432 0.992 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)C1=O ZINC001074792925 787825747 /nfs/dbraw/zinc/82/57/47/787825747.db2.gz IEOYOZWIYJGULH-YHUYYLMFSA-N 2 1 334.464 0.447 20 30 ECEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965807 790252040 /nfs/dbraw/zinc/25/20/40/790252040.db2.gz HPYCLULBBYTKLY-ZACQAIPSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001267566932 837786270 /nfs/dbraw/zinc/78/62/70/837786270.db2.gz KLLOWXCZDGMPEK-GDBMZVCRSA-N 2 1 345.447 0.567 20 30 ECEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001267571926 837806632 /nfs/dbraw/zinc/80/66/32/837806632.db2.gz BQQJSTNNSOBHNY-GOSISDBHSA-N 2 1 332.492 0.428 20 30 ECEDMP CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001267571926 837806641 /nfs/dbraw/zinc/80/66/41/837806641.db2.gz BQQJSTNNSOBHNY-GOSISDBHSA-N 2 1 332.492 0.428 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]Cc2nnc(C)[nH]2)C2CC2)CC1 ZINC001266445330 835847970 /nfs/dbraw/zinc/84/79/70/835847970.db2.gz OUTMBIMBPKEDEL-INIZCTEOSA-N 2 1 344.463 0.443 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520994 835935296 /nfs/dbraw/zinc/93/52/96/835935296.db2.gz XUXOGHOZEQTPFU-JKSUJKDBSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001266728819 836207558 /nfs/dbraw/zinc/20/75/58/836207558.db2.gz MMKTWUOGSBMZTB-CVEARBPZSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001266728819 836207565 /nfs/dbraw/zinc/20/75/65/836207565.db2.gz MMKTWUOGSBMZTB-CVEARBPZSA-N 2 1 334.464 0.141 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853884 836386128 /nfs/dbraw/zinc/38/61/28/836386128.db2.gz VUZZTCQLYXHXBR-MRXNPFEDSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853884 836386137 /nfs/dbraw/zinc/38/61/37/836386137.db2.gz VUZZTCQLYXHXBR-MRXNPFEDSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267109837 836793215 /nfs/dbraw/zinc/79/32/15/836793215.db2.gz YEXRVETXSTZEIH-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267109837 836793221 /nfs/dbraw/zinc/79/32/21/836793221.db2.gz YEXRVETXSTZEIH-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267109837 836793228 /nfs/dbraw/zinc/79/32/28/836793228.db2.gz YEXRVETXSTZEIH-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267109837 836793237 /nfs/dbraw/zinc/79/32/37/836793237.db2.gz YEXRVETXSTZEIH-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267113172 836801795 /nfs/dbraw/zinc/80/17/95/836801795.db2.gz FSEJAZGNPFHYCR-RDJZCZTQSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267113172 836801804 /nfs/dbraw/zinc/80/18/04/836801804.db2.gz FSEJAZGNPFHYCR-RDJZCZTQSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC=C)CC1 ZINC000276470838 201295099 /nfs/dbraw/zinc/29/50/99/201295099.db2.gz RRJUNYAZWHXMNI-UHFFFAOYSA-N 2 1 336.480 0.673 20 30 ECEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262329169 436925043 /nfs/dbraw/zinc/92/50/43/436925043.db2.gz APSILGAQHKHIHM-ZDUSSCGKSA-N 2 1 349.435 0.108 20 30 ECEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000264124048 437016140 /nfs/dbraw/zinc/01/61/40/437016140.db2.gz RTMAIJKWTXXLNN-CQSZACIVSA-N 2 1 339.509 0.977 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343898549 437688566 /nfs/dbraw/zinc/68/85/66/437688566.db2.gz ZNFJSOBQOAVNAF-GDBMZVCRSA-N 2 1 336.480 0.742 20 30 ECEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903130 438266340 /nfs/dbraw/zinc/26/63/40/438266340.db2.gz GYQZYPIGQPOKSY-KRWDZBQOSA-N 2 1 335.496 0.849 20 30 ECEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903130 438266343 /nfs/dbraw/zinc/26/63/43/438266343.db2.gz GYQZYPIGQPOKSY-KRWDZBQOSA-N 2 1 335.496 0.849 20 30 ECEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000552232856 438741574 /nfs/dbraw/zinc/74/15/74/438741574.db2.gz ASDYQHMDHVBHFX-UHFFFAOYSA-N 2 1 347.467 0.328 20 30 ECEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000576947041 438805813 /nfs/dbraw/zinc/80/58/13/438805813.db2.gz HHVFDRLZROSOLE-KRWDZBQOSA-N 2 1 329.448 0.946 20 30 ECEDMP N#Cc1cnn2cc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cnc12 ZINC000580075412 439061198 /nfs/dbraw/zinc/06/11/98/439061198.db2.gz LXXGDYNYLFEAEO-INIZCTEOSA-N 2 1 328.420 0.927 20 30 ECEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000580666373 439117699 /nfs/dbraw/zinc/11/76/99/439117699.db2.gz OFDBWTLGTNAOKU-UHFFFAOYSA-N 2 1 341.463 0.964 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000491392146 439376112 /nfs/dbraw/zinc/37/61/12/439376112.db2.gz AFHQAENMYUCLTE-SJORKVTESA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000491656440 439419960 /nfs/dbraw/zinc/41/99/60/439419960.db2.gz BIHZBJYWRWEYMS-QGZVFWFLSA-N 2 1 336.480 0.695 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000897675210 586357613 /nfs/dbraw/zinc/35/76/13/586357613.db2.gz UVTOIQVUBDQYEF-UHFFFAOYSA-N 2 1 336.480 0.696 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000897675210 586357614 /nfs/dbraw/zinc/35/76/14/586357614.db2.gz UVTOIQVUBDQYEF-UHFFFAOYSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854094035 589571198 /nfs/dbraw/zinc/57/11/98/589571198.db2.gz BRNQSINNZMKQRA-KRWDZBQOSA-N 2 1 336.480 0.838 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856609455 589668356 /nfs/dbraw/zinc/66/83/56/589668356.db2.gz IRKPRYUNZGFLHU-BBWFWOEESA-N 2 1 340.427 0.461 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856609455 589668358 /nfs/dbraw/zinc/66/83/58/589668358.db2.gz IRKPRYUNZGFLHU-BBWFWOEESA-N 2 1 340.427 0.461 20 30 ECEDMP COCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876770908 590412389 /nfs/dbraw/zinc/41/23/89/590412389.db2.gz KMFSFGOXWIKWFB-KRWDZBQOSA-N 2 1 330.432 0.830 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597731 611359210 /nfs/dbraw/zinc/35/92/10/611359210.db2.gz IAQTZPIANZBULW-MHORFTMASA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597731 611359211 /nfs/dbraw/zinc/35/92/11/611359211.db2.gz IAQTZPIANZBULW-MHORFTMASA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597731 611359212 /nfs/dbraw/zinc/35/92/12/611359212.db2.gz IAQTZPIANZBULW-MHORFTMASA-N 2 1 331.460 0.653 20 30 ECEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)C1CC[NH+](C)CC1 ZINC000927630614 611620999 /nfs/dbraw/zinc/62/09/99/611620999.db2.gz PINNKVUIDJNOBB-SFHVURJKSA-N 2 1 348.491 0.979 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913518696 609685095 /nfs/dbraw/zinc/68/50/95/609685095.db2.gz XNXOOQPCQOUHQT-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP CCN(C)C(=O)CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912507150 609963118 /nfs/dbraw/zinc/96/31/18/609963118.db2.gz VWLWRKPYCWAVGZ-UHFFFAOYSA-N 2 1 341.500 0.521 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413806 610303015 /nfs/dbraw/zinc/30/30/15/610303015.db2.gz FTHYIXYVNPGZRM-AEFFLSMTSA-N 2 1 348.491 0.254 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413806 610303016 /nfs/dbraw/zinc/30/30/16/610303016.db2.gz FTHYIXYVNPGZRM-AEFFLSMTSA-N 2 1 348.491 0.254 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414346 610303164 /nfs/dbraw/zinc/30/31/64/610303164.db2.gz REZBUFLKFVGTFM-FUHWJXTLSA-N 2 1 348.491 0.254 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237409 610620967 /nfs/dbraw/zinc/62/09/67/610620967.db2.gz MVHFIIXDANVXTI-GOEBONIOSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000923553576 611259628 /nfs/dbraw/zinc/25/96/28/611259628.db2.gz KNMCUGNZPGOFNB-KURKYZTESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000923553576 611259629 /nfs/dbraw/zinc/25/96/29/611259629.db2.gz KNMCUGNZPGOFNB-KURKYZTESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950432143 612016836 /nfs/dbraw/zinc/01/68/36/612016836.db2.gz MXTMEQIMWGAEHU-SJORKVTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000955341634 612464437 /nfs/dbraw/zinc/46/44/37/612464437.db2.gz QUJUQMYCRYRFRS-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000955341634 612464438 /nfs/dbraw/zinc/46/44/38/612464438.db2.gz QUJUQMYCRYRFRS-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000955341634 612464441 /nfs/dbraw/zinc/46/44/41/612464441.db2.gz QUJUQMYCRYRFRS-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000955341634 612464444 /nfs/dbraw/zinc/46/44/44/612464444.db2.gz QUJUQMYCRYRFRS-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289490 733928159 /nfs/dbraw/zinc/92/81/59/733928159.db2.gz KNPIGYFNNXHZCH-ZACQAIPSSA-N 2 1 331.464 0.521 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC000970792838 733943431 /nfs/dbraw/zinc/94/34/31/733943431.db2.gz YYVXVYBQEZZTES-MRXNPFEDSA-N 2 1 329.448 0.456 20 30 ECEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104294651 734020105 /nfs/dbraw/zinc/02/01/05/734020105.db2.gz WFBVCQLYOYXDOE-HUUCEWRRSA-N 2 1 349.479 0.185 20 30 ECEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992279 736328637 /nfs/dbraw/zinc/32/86/37/736328637.db2.gz ROJIMRNEGUZRLA-HWWDLCQESA-N 2 1 349.479 0.137 20 30 ECEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992279 736328644 /nfs/dbraw/zinc/32/86/44/736328644.db2.gz ROJIMRNEGUZRLA-HWWDLCQESA-N 2 1 349.479 0.137 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023115204 736510791 /nfs/dbraw/zinc/51/07/91/736510791.db2.gz CTAMURKCGYFQBD-FRRDWIJNSA-N 2 1 346.269 0.853 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115204 736510796 /nfs/dbraw/zinc/51/07/96/736510796.db2.gz CTAMURKCGYFQBD-FRRDWIJNSA-N 2 1 346.269 0.853 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC001023424111 736806676 /nfs/dbraw/zinc/80/66/76/736806676.db2.gz OGNWXRBJNWNBNL-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560682 738107142 /nfs/dbraw/zinc/10/71/42/738107142.db2.gz HXLMCRKDGFNCFY-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560682 738107145 /nfs/dbraw/zinc/10/71/45/738107145.db2.gz HXLMCRKDGFNCFY-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560682 738107148 /nfs/dbraw/zinc/10/71/48/738107148.db2.gz HXLMCRKDGFNCFY-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676675 739457797 /nfs/dbraw/zinc/45/77/97/739457797.db2.gz SZDLRCJGFQZRCT-IXDOHACOSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554255 739714242 /nfs/dbraw/zinc/71/42/42/739714242.db2.gz AHFSGCXMKVTIHX-CVEARBPZSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001025814034 739996538 /nfs/dbraw/zinc/99/65/38/739996538.db2.gz FYDKWLZUJIFVJI-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001025814034 739996542 /nfs/dbraw/zinc/99/65/42/739996542.db2.gz FYDKWLZUJIFVJI-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001025814034 739996544 /nfs/dbraw/zinc/99/65/44/739996544.db2.gz FYDKWLZUJIFVJI-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001025814034 739996546 /nfs/dbraw/zinc/99/65/46/739996546.db2.gz FYDKWLZUJIFVJI-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001025814034 739996549 /nfs/dbraw/zinc/99/65/49/739996549.db2.gz FYDKWLZUJIFVJI-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)nn1 ZINC001105253915 741566923 /nfs/dbraw/zinc/56/69/23/741566923.db2.gz KGCYBLUDSILBRR-OAHLLOKOSA-N 2 1 338.431 0.617 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000974687163 742003425 /nfs/dbraw/zinc/00/34/25/742003425.db2.gz RGGUUKNTDBQYNC-HOTGVXAUSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CN(CCn2cncn2)CC1(C)C ZINC000974687163 742003430 /nfs/dbraw/zinc/00/34/30/742003430.db2.gz RGGUUKNTDBQYNC-HOTGVXAUSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001029003030 743155690 /nfs/dbraw/zinc/15/56/90/743155690.db2.gz GZBOHYGSMKCONF-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(OC)no2)C1 ZINC000998928486 744410157 /nfs/dbraw/zinc/41/01/57/744410157.db2.gz MKTIIQOFUQHBCF-XUJLQICISA-N 2 1 346.431 0.860 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(OC)no2)C1 ZINC000998928486 744410159 /nfs/dbraw/zinc/41/01/59/744410159.db2.gz MKTIIQOFUQHBCF-XUJLQICISA-N 2 1 346.431 0.860 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccc4c[nH+]cn4c3)nn2)C1 ZINC001000004422 745170704 /nfs/dbraw/zinc/17/07/04/745170704.db2.gz TXHQVCLLGPSORM-KRWDZBQOSA-N 2 1 349.398 0.736 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043822 745224599 /nfs/dbraw/zinc/22/45/99/745224599.db2.gz KJWVEXVNOBZBBJ-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043822 745224602 /nfs/dbraw/zinc/22/46/02/745224602.db2.gz KJWVEXVNOBZBBJ-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043822 745224607 /nfs/dbraw/zinc/22/46/07/745224607.db2.gz KJWVEXVNOBZBBJ-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646723 745332217 /nfs/dbraw/zinc/33/22/17/745332217.db2.gz NFIQXNCMXJFIRG-CABCVRRESA-N 2 1 345.447 0.497 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000977919492 745646937 /nfs/dbraw/zinc/64/69/37/745646937.db2.gz NPMBLALCZQABFI-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000977919492 745646941 /nfs/dbraw/zinc/64/69/41/745646941.db2.gz NPMBLALCZQABFI-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000977919492 745646945 /nfs/dbraw/zinc/64/69/45/745646945.db2.gz NPMBLALCZQABFI-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000977919492 745646948 /nfs/dbraw/zinc/64/69/48/745646948.db2.gz NPMBLALCZQABFI-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3conc3C)C[C@H]21 ZINC000978280516 746142785 /nfs/dbraw/zinc/14/27/85/746142785.db2.gz JFAFQWBUXHFFHM-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3conc3C)C[C@H]21 ZINC000978280516 746142788 /nfs/dbraw/zinc/14/27/88/746142788.db2.gz JFAFQWBUXHFFHM-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3conc3C)C[C@H]21 ZINC000978280516 746142793 /nfs/dbraw/zinc/14/27/93/746142793.db2.gz JFAFQWBUXHFFHM-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3conc3C)C[C@H]21 ZINC000978280516 746142798 /nfs/dbraw/zinc/14/27/98/746142798.db2.gz JFAFQWBUXHFFHM-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC001001472633 746413495 /nfs/dbraw/zinc/41/34/95/746413495.db2.gz TUDGPVCJFZDMKF-HNNXBMFYSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC001001472633 746413501 /nfs/dbraw/zinc/41/35/01/746413501.db2.gz TUDGPVCJFZDMKF-HNNXBMFYSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC001105464940 752173908 /nfs/dbraw/zinc/17/39/08/752173908.db2.gz YXCMOKPIJJMFHP-TVRKMHQQSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC001105464940 752173913 /nfs/dbraw/zinc/17/39/13/752173913.db2.gz YXCMOKPIJJMFHP-TVRKMHQQSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnsn3)C2)CC1 ZINC000985155470 747472955 /nfs/dbraw/zinc/47/29/55/747472955.db2.gz ZNGDDHDMEPUYLY-CTYIDZIISA-N 2 1 347.488 0.868 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc(C)o3)C2)CC1 ZINC000985155392 747480621 /nfs/dbraw/zinc/48/06/21/747480621.db2.gz YYEYYXMMRDULGD-KOMQPUFPSA-N 2 1 345.447 0.708 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC000985332624 747722975 /nfs/dbraw/zinc/72/29/75/747722975.db2.gz RAEKDKARQZNEDN-DLBZAZTESA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000985332624 747722979 /nfs/dbraw/zinc/72/29/79/747722979.db2.gz RAEKDKARQZNEDN-DLBZAZTESA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC000985332624 747722982 /nfs/dbraw/zinc/72/29/82/747722982.db2.gz RAEKDKARQZNEDN-DLBZAZTESA-N 2 1 348.491 0.790 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001003056817 748125608 /nfs/dbraw/zinc/12/56/08/748125608.db2.gz UEPUWDDEOVTZCX-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2ncccn2)C1 ZINC001029758050 748271341 /nfs/dbraw/zinc/27/13/41/748271341.db2.gz PRULYFFJRZUBHY-IRXDYDNUSA-N 2 1 341.459 0.855 20 30 ECEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000305049187 748291559 /nfs/dbraw/zinc/29/15/59/748291559.db2.gz ZPVWACWUUNAEHJ-INIZCTEOSA-N 2 1 325.501 0.591 20 30 ECEDMP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000305049187 748291560 /nfs/dbraw/zinc/29/15/60/748291560.db2.gz ZPVWACWUUNAEHJ-INIZCTEOSA-N 3 1 325.501 0.591 20 30 ECEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000305049187 748291561 /nfs/dbraw/zinc/29/15/61/748291561.db2.gz ZPVWACWUUNAEHJ-INIZCTEOSA-N 3 1 325.501 0.591 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3cncn3C)C2)CC1 ZINC000980477333 749630004 /nfs/dbraw/zinc/63/00/04/749630004.db2.gz DLVHLIDLQVBSLB-KRWDZBQOSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3cncn3C)C2)CC1 ZINC000980477333 749630006 /nfs/dbraw/zinc/63/00/06/749630006.db2.gz DLVHLIDLQVBSLB-KRWDZBQOSA-N 2 1 343.475 0.798 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001105372594 753672061 /nfs/dbraw/zinc/67/20/61/753672061.db2.gz OVWGTGNSWDSNJD-UHFFFAOYSA-N 2 1 343.435 0.922 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685178 753762943 /nfs/dbraw/zinc/76/29/43/753762943.db2.gz ASTPHTANERSXCT-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685178 753762948 /nfs/dbraw/zinc/76/29/48/753762948.db2.gz ASTPHTANERSXCT-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000982927162 754216172 /nfs/dbraw/zinc/21/61/72/754216172.db2.gz RYIKSFBDHAKFSP-ZACQAIPSSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001105377185 754509481 /nfs/dbraw/zinc/50/94/81/754509481.db2.gz SXDJEICFCTYVPO-UHFFFAOYSA-N 2 1 332.452 0.813 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105669300 755671472 /nfs/dbraw/zinc/67/14/72/755671472.db2.gz QQBQZIMJFKEZLT-ZAWLATJESA-N 2 1 335.492 0.928 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@H]2C1 ZINC001049062877 757845545 /nfs/dbraw/zinc/84/55/45/757845545.db2.gz PAPCVHDTZMVYEI-GASCZTMLSA-N 2 1 328.416 0.907 20 30 ECEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@H]2C1 ZINC001049062877 757845551 /nfs/dbraw/zinc/84/55/51/757845551.db2.gz PAPCVHDTZMVYEI-GASCZTMLSA-N 2 1 328.416 0.907 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996683377 758464480 /nfs/dbraw/zinc/46/44/80/758464480.db2.gz BYVNIWLAEVCCAY-HNNXBMFYSA-N 2 1 333.461 0.716 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996683377 758464487 /nfs/dbraw/zinc/46/44/87/758464487.db2.gz BYVNIWLAEVCCAY-HNNXBMFYSA-N 2 1 333.461 0.716 20 30 ECEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779697 758627178 /nfs/dbraw/zinc/62/71/78/758627178.db2.gz QJDVXDUHRWJGHQ-IAGOWNOFSA-N 2 1 328.416 0.627 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366667 758916964 /nfs/dbraw/zinc/91/69/64/758916964.db2.gz UUCOFHWZQKXDDE-HZPDHXFCSA-N 2 1 327.388 0.618 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)CC1 ZINC001047638131 759372165 /nfs/dbraw/zinc/37/21/65/759372165.db2.gz COVMFBBGODZFQR-IKGGRYGDSA-N 2 1 339.455 0.583 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)CC1 ZINC001047638131 759372177 /nfs/dbraw/zinc/37/21/77/759372177.db2.gz COVMFBBGODZFQR-IKGGRYGDSA-N 2 1 339.455 0.583 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001054240902 767853992 /nfs/dbraw/zinc/85/39/92/767853992.db2.gz FYBHHYBHLWASRG-IEBWSBKVSA-N 2 1 333.476 0.902 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001054296870 767905206 /nfs/dbraw/zinc/90/52/06/767905206.db2.gz BOJTXVVLUGHWFW-OWCLPIDISA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995926500 760789214 /nfs/dbraw/zinc/78/92/14/760789214.db2.gz VWXMSQQRBQBBQU-DLBZAZTESA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995926500 760789219 /nfs/dbraw/zinc/78/92/19/760789219.db2.gz VWXMSQQRBQBBQU-DLBZAZTESA-N 2 1 343.475 0.844 20 30 ECEDMP COCC#CC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168390391 761553354 /nfs/dbraw/zinc/55/33/54/761553354.db2.gz CVRIPHDUUXTQMU-UHFFFAOYSA-N 2 1 325.453 0.235 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046926504 763398655 /nfs/dbraw/zinc/39/86/55/763398655.db2.gz PTHCCAQOVBHXDU-ZIAGYGMSSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046926504 763398663 /nfs/dbraw/zinc/39/86/63/763398663.db2.gz PTHCCAQOVBHXDU-ZIAGYGMSSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046926504 763398670 /nfs/dbraw/zinc/39/86/70/763398670.db2.gz PTHCCAQOVBHXDU-ZIAGYGMSSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046926504 763398679 /nfs/dbraw/zinc/39/86/79/763398679.db2.gz PTHCCAQOVBHXDU-ZIAGYGMSSA-N 2 1 329.391 0.414 20 30 ECEDMP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052047225 763690154 /nfs/dbraw/zinc/69/01/54/763690154.db2.gz JNDDFZWLRKXPJY-SFHVURJKSA-N 2 1 344.503 0.857 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@@H+]1C ZINC001052071719 763773713 /nfs/dbraw/zinc/77/37/13/763773713.db2.gz XWVGAXXLWPUBLS-ULQDDVLXSA-N 2 1 333.480 0.459 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052071719 763773716 /nfs/dbraw/zinc/77/37/16/763773716.db2.gz XWVGAXXLWPUBLS-ULQDDVLXSA-N 2 1 333.480 0.459 20 30 ECEDMP C=C(C)CN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777548 764103471 /nfs/dbraw/zinc/10/34/71/764103471.db2.gz BAQUVKYQNOXSLY-JKIFEVAISA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777548 764103483 /nfs/dbraw/zinc/10/34/83/764103483.db2.gz BAQUVKYQNOXSLY-JKIFEVAISA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777548 764103487 /nfs/dbraw/zinc/10/34/87/764103487.db2.gz BAQUVKYQNOXSLY-JKIFEVAISA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777548 764103493 /nfs/dbraw/zinc/10/34/93/764103493.db2.gz BAQUVKYQNOXSLY-JKIFEVAISA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384462 764178502 /nfs/dbraw/zinc/17/85/02/764178502.db2.gz SGEHODQZULDUSZ-HOTGVXAUSA-N 2 1 335.452 0.138 20 30 ECEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407769 764251431 /nfs/dbraw/zinc/25/14/31/764251431.db2.gz OYDVTTKBTGBVGC-IKGGRYGDSA-N 2 1 337.464 0.319 20 30 ECEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407769 764251434 /nfs/dbraw/zinc/25/14/34/764251434.db2.gz OYDVTTKBTGBVGC-IKGGRYGDSA-N 2 1 337.464 0.319 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407769 764251437 /nfs/dbraw/zinc/25/14/37/764251437.db2.gz OYDVTTKBTGBVGC-IKGGRYGDSA-N 2 1 337.464 0.319 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407769 764251440 /nfs/dbraw/zinc/25/14/40/764251440.db2.gz OYDVTTKBTGBVGC-IKGGRYGDSA-N 2 1 337.464 0.319 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047408797 764254151 /nfs/dbraw/zinc/25/41/51/764254151.db2.gz CIQSFBVSKWFYIT-SQNIBIBYSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047408797 764254153 /nfs/dbraw/zinc/25/41/53/764254153.db2.gz CIQSFBVSKWFYIT-SQNIBIBYSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047408797 764254155 /nfs/dbraw/zinc/25/41/55/764254155.db2.gz CIQSFBVSKWFYIT-SQNIBIBYSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098763233 764333354 /nfs/dbraw/zinc/33/33/54/764333354.db2.gz VPPKBWZGFWJOAZ-INIZCTEOSA-N 2 1 332.452 0.506 20 30 ECEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527343 764597692 /nfs/dbraw/zinc/59/76/92/764597692.db2.gz CUEWQDIOLMGULZ-MPGHIAIKSA-N 2 1 339.455 0.726 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573526 764783710 /nfs/dbraw/zinc/78/37/10/764783710.db2.gz XVSLKINVPWDLAL-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573526 764783718 /nfs/dbraw/zinc/78/37/18/764783718.db2.gz XVSLKINVPWDLAL-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573526 764783725 /nfs/dbraw/zinc/78/37/25/764783725.db2.gz XVSLKINVPWDLAL-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC001089059808 764916439 /nfs/dbraw/zinc/91/64/39/764916439.db2.gz CLLUPZISBQKNQM-QAPCUYQASA-N 2 1 343.475 0.844 20 30 ECEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017748824 768344987 /nfs/dbraw/zinc/34/49/87/768344987.db2.gz VDBRYDJXQZTRPW-XFHVWQCUSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748824 768344994 /nfs/dbraw/zinc/34/49/94/768344994.db2.gz VDBRYDJXQZTRPW-XFHVWQCUSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748824 768345001 /nfs/dbraw/zinc/34/50/01/768345001.db2.gz VDBRYDJXQZTRPW-XFHVWQCUSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748824 768345008 /nfs/dbraw/zinc/34/50/08/768345008.db2.gz VDBRYDJXQZTRPW-XFHVWQCUSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337535 766144395 /nfs/dbraw/zinc/14/43/95/766144395.db2.gz RKRDFGPBOOVVDK-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046032796 766707294 /nfs/dbraw/zinc/70/72/94/766707294.db2.gz NDNNUONEALBCNJ-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046032796 766707300 /nfs/dbraw/zinc/70/73/00/766707300.db2.gz NDNNUONEALBCNJ-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046032796 766707305 /nfs/dbraw/zinc/70/73/05/766707305.db2.gz NDNNUONEALBCNJ-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001046036114 766724066 /nfs/dbraw/zinc/72/40/66/766724066.db2.gz AOSDBSFPKKXXNG-MSOLQXFVSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001046036114 766724076 /nfs/dbraw/zinc/72/40/76/766724076.db2.gz AOSDBSFPKKXXNG-MSOLQXFVSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC=C)C2)CC1 ZINC001046036114 766724086 /nfs/dbraw/zinc/72/40/86/766724086.db2.gz AOSDBSFPKKXXNG-MSOLQXFVSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC=C)C2)CC1 ZINC001046036114 766724095 /nfs/dbraw/zinc/72/40/95/766724095.db2.gz AOSDBSFPKKXXNG-MSOLQXFVSA-N 2 1 330.476 0.489 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084265 766924370 /nfs/dbraw/zinc/92/43/70/766924370.db2.gz OOKNRQWLDVVQFK-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084265 766924374 /nfs/dbraw/zinc/92/43/74/766924374.db2.gz OOKNRQWLDVVQFK-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218005 767082320 /nfs/dbraw/zinc/08/23/20/767082320.db2.gz JAXNMSLHMFERFB-HKUYNNGSSA-N 2 1 342.443 0.969 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001046218005 767082332 /nfs/dbraw/zinc/08/23/32/767082332.db2.gz JAXNMSLHMFERFB-HKUYNNGSSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578260 769173264 /nfs/dbraw/zinc/17/32/64/769173264.db2.gz KSPBEKYXMLXPFO-INIZCTEOSA-N 2 1 346.475 0.048 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583593 769181281 /nfs/dbraw/zinc/18/12/81/769181281.db2.gz UDVLSRJGIRLXFP-IIAWOOMASA-N 2 1 349.479 0.183 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000993806234 769650400 /nfs/dbraw/zinc/65/04/00/769650400.db2.gz KUMYMURGYPQNQT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000993806234 769650403 /nfs/dbraw/zinc/65/04/03/769650403.db2.gz KUMYMURGYPQNQT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000993806234 769650409 /nfs/dbraw/zinc/65/04/09/769650409.db2.gz KUMYMURGYPQNQT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000993806234 769650412 /nfs/dbraw/zinc/65/04/12/769650412.db2.gz KUMYMURGYPQNQT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001020288051 772402140 /nfs/dbraw/zinc/40/21/40/772402140.db2.gz WWJFVNFCDPVASV-FDYHWXHSSA-N 2 1 346.269 0.851 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001020288051 772402143 /nfs/dbraw/zinc/40/21/43/772402143.db2.gz WWJFVNFCDPVASV-FDYHWXHSSA-N 2 1 346.269 0.851 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672678 776012632 /nfs/dbraw/zinc/01/26/32/776012632.db2.gz UUZHIMKGRVXZCJ-IXDOHACOSA-N 2 1 333.476 0.947 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097425 790595276 /nfs/dbraw/zinc/59/52/76/790595276.db2.gz RFVMFHGBYUCDHS-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097425 790595289 /nfs/dbraw/zinc/59/52/89/790595289.db2.gz RFVMFHGBYUCDHS-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097425 790595302 /nfs/dbraw/zinc/59/53/02/790595302.db2.gz RFVMFHGBYUCDHS-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001040712321 783312933 /nfs/dbraw/zinc/31/29/33/783312933.db2.gz IDXKNEFPCBZFSP-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H](C)C(N)=O)CC2 ZINC001040731080 783342683 /nfs/dbraw/zinc/34/26/83/783342683.db2.gz CZTUYFHHJCSQFC-CVEARBPZSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@H](C)C(N)=O)CC2 ZINC001040731080 783342695 /nfs/dbraw/zinc/34/26/95/783342695.db2.gz CZTUYFHHJCSQFC-CVEARBPZSA-N 2 1 346.475 0.272 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412893 784007262 /nfs/dbraw/zinc/00/72/62/784007262.db2.gz NKWFTHGRZPPYHY-IIAWOOMASA-N 2 1 347.463 0.720 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412893 784007269 /nfs/dbraw/zinc/00/72/69/784007269.db2.gz NKWFTHGRZPPYHY-IIAWOOMASA-N 2 1 347.463 0.720 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412893 784007279 /nfs/dbraw/zinc/00/72/79/784007279.db2.gz NKWFTHGRZPPYHY-IIAWOOMASA-N 2 1 347.463 0.720 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412893 784007288 /nfs/dbraw/zinc/00/72/88/784007288.db2.gz NKWFTHGRZPPYHY-IIAWOOMASA-N 2 1 347.463 0.720 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070526584 784231260 /nfs/dbraw/zinc/23/12/60/784231260.db2.gz RMHMTKOMXSRDLH-NBOOPKSLSA-N 2 1 343.475 0.668 20 30 ECEDMP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071015669 784422317 /nfs/dbraw/zinc/42/23/17/784422317.db2.gz OSEQAIBBKFYGIW-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071015669 784422322 /nfs/dbraw/zinc/42/23/22/784422322.db2.gz OSEQAIBBKFYGIW-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001071015669 784422328 /nfs/dbraw/zinc/42/23/28/784422328.db2.gz OSEQAIBBKFYGIW-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001071015669 784422331 /nfs/dbraw/zinc/42/23/31/784422331.db2.gz OSEQAIBBKFYGIW-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@@H+](CCC)CC2)CC1 ZINC001071022108 784444883 /nfs/dbraw/zinc/44/48/83/784444883.db2.gz VEYBBPXOXCORGS-UHFFFAOYSA-N 2 1 348.491 0.392 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@H+](CCC)CC2)CC1 ZINC001071022108 784444891 /nfs/dbraw/zinc/44/48/91/784444891.db2.gz VEYBBPXOXCORGS-UHFFFAOYSA-N 2 1 348.491 0.392 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@@H](C)O2 ZINC001071244284 784822077 /nfs/dbraw/zinc/82/20/77/784822077.db2.gz SKSKRVRXMJBJAQ-XLIONFOSSA-N 2 1 343.471 0.657 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700513 786999836 /nfs/dbraw/zinc/99/98/36/786999836.db2.gz OGMSMPDVMMTZOI-VZDIDWBNSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700513 786999839 /nfs/dbraw/zinc/99/98/39/786999839.db2.gz OGMSMPDVMMTZOI-VZDIDWBNSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700513 786999841 /nfs/dbraw/zinc/99/98/41/786999841.db2.gz OGMSMPDVMMTZOI-VZDIDWBNSA-N 2 1 347.459 0.080 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700392 787001057 /nfs/dbraw/zinc/00/10/57/787001057.db2.gz KTTOKGGWJDXERA-VIHIWDAPSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700392 787001067 /nfs/dbraw/zinc/00/10/67/787001067.db2.gz KTTOKGGWJDXERA-VIHIWDAPSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700392 787001078 /nfs/dbraw/zinc/00/10/78/787001078.db2.gz KTTOKGGWJDXERA-VIHIWDAPSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896360 787465932 /nfs/dbraw/zinc/46/59/32/787465932.db2.gz QJOXVKJYXLFTEX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896360 787465935 /nfs/dbraw/zinc/46/59/35/787465935.db2.gz QJOXVKJYXLFTEX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896360 787465937 /nfs/dbraw/zinc/46/59/37/787465937.db2.gz QJOXVKJYXLFTEX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896360 787465939 /nfs/dbraw/zinc/46/59/39/787465939.db2.gz QJOXVKJYXLFTEX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCOC1)C2 ZINC001072822321 788890151 /nfs/dbraw/zinc/89/01/51/788890151.db2.gz AJHWHJDFUBFMQY-IRXDYDNUSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCOC1)C2 ZINC001072822321 788890163 /nfs/dbraw/zinc/89/01/63/788890163.db2.gz AJHWHJDFUBFMQY-IRXDYDNUSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC001072822321 788890176 /nfs/dbraw/zinc/89/01/76/788890176.db2.gz AJHWHJDFUBFMQY-IRXDYDNUSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC001072822321 788890190 /nfs/dbraw/zinc/89/01/90/788890190.db2.gz AJHWHJDFUBFMQY-IRXDYDNUSA-N 2 1 331.460 0.655 20 30 ECEDMP C=CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267455409 837440218 /nfs/dbraw/zinc/44/02/18/837440218.db2.gz ZGGKWCXXXFAKQO-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCC#N ZINC001267500651 837576690 /nfs/dbraw/zinc/57/66/90/837576690.db2.gz BREOLEXLRGZHHC-HUUCEWRRSA-N 2 1 337.468 0.183 20 30 ECEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NCC#N ZINC001267500651 837576701 /nfs/dbraw/zinc/57/67/01/837576701.db2.gz BREOLEXLRGZHHC-HUUCEWRRSA-N 2 1 337.468 0.183 20 30 ECEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NCC#N ZINC001267500651 837576714 /nfs/dbraw/zinc/57/67/14/837576714.db2.gz BREOLEXLRGZHHC-HUUCEWRRSA-N 2 1 337.468 0.183 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267557731 837766287 /nfs/dbraw/zinc/76/62/87/837766287.db2.gz LLRANSNOJGUCCU-JKSUJKDBSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267557731 837766294 /nfs/dbraw/zinc/76/62/94/837766294.db2.gz LLRANSNOJGUCCU-JKSUJKDBSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267557731 837766301 /nfs/dbraw/zinc/76/63/01/837766301.db2.gz LLRANSNOJGUCCU-JKSUJKDBSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001266285948 835621889 /nfs/dbraw/zinc/62/18/89/835621889.db2.gz SSIWMUQWSXWGTM-SFHVURJKSA-N 2 1 332.492 0.760 20 30 ECEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001266285948 835621894 /nfs/dbraw/zinc/62/18/94/835621894.db2.gz SSIWMUQWSXWGTM-SFHVURJKSA-N 2 1 332.492 0.760 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001266516671 835927748 /nfs/dbraw/zinc/92/77/48/835927748.db2.gz AHAOZHJZRTZZSY-HZPDHXFCSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520993 835935421 /nfs/dbraw/zinc/93/54/21/835935421.db2.gz XUXOGHOZEQTPFU-HZPDHXFCSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001266556498 835984286 /nfs/dbraw/zinc/98/42/86/835984286.db2.gz PGKIBGUOWRIEBD-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCC)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266556498 835984291 /nfs/dbraw/zinc/98/42/91/835984291.db2.gz PGKIBGUOWRIEBD-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCC)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001266556498 835984296 /nfs/dbraw/zinc/98/42/96/835984296.db2.gz PGKIBGUOWRIEBD-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266591369 836022128 /nfs/dbraw/zinc/02/21/28/836022128.db2.gz IRRZAZGZFBLLKH-YHUYYLMFSA-N 2 1 336.480 0.787 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001266728831 836207970 /nfs/dbraw/zinc/20/79/70/836207970.db2.gz NEPMWRQGKKDTNZ-RDJZCZTQSA-N 2 1 329.448 0.992 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001266728831 836207973 /nfs/dbraw/zinc/20/79/73/836207973.db2.gz NEPMWRQGKKDTNZ-RDJZCZTQSA-N 2 1 329.448 0.992 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001266731007 836211440 /nfs/dbraw/zinc/21/14/40/836211440.db2.gz NTDFVJIDEYNLQB-CVEARBPZSA-N 2 1 336.480 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001266731007 836211450 /nfs/dbraw/zinc/21/14/50/836211450.db2.gz NTDFVJIDEYNLQB-CVEARBPZSA-N 2 1 336.480 0.389 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266853524 836386294 /nfs/dbraw/zinc/38/62/94/836386294.db2.gz NNFWTPAKNSWWEG-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266853524 836386306 /nfs/dbraw/zinc/38/63/06/836386306.db2.gz NNFWTPAKNSWWEG-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C#Cc1cccc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001266992912 836575942 /nfs/dbraw/zinc/57/59/42/836575942.db2.gz FRUYDYSFRZOQTJ-GOEBONIOSA-N 2 1 342.443 0.652 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267002212 836595309 /nfs/dbraw/zinc/59/53/09/836595309.db2.gz GSHXOXOWKTVFPZ-IAGOWNOFSA-N 2 1 348.491 0.438 20 30 ECEDMP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254533 837076879 /nfs/dbraw/zinc/07/68/79/837076879.db2.gz UDQJMNFAGNYNEW-HUUCEWRRSA-N 2 1 337.468 0.185 20 30 ECEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254533 837076887 /nfs/dbraw/zinc/07/68/87/837076887.db2.gz UDQJMNFAGNYNEW-HUUCEWRRSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCn2cccn2)CC1 ZINC001267257295 837083070 /nfs/dbraw/zinc/08/30/70/837083070.db2.gz USSHDRZAHXQVHM-UHFFFAOYSA-N 2 1 331.464 0.666 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(C)C)CC1 ZINC001267282089 837130983 /nfs/dbraw/zinc/13/09/83/837130983.db2.gz OKNUDYJBNBZYIG-KRWDZBQOSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(C)C)CC1 ZINC001267282089 837130989 /nfs/dbraw/zinc/13/09/89/837130989.db2.gz OKNUDYJBNBZYIG-KRWDZBQOSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267303823 837171419 /nfs/dbraw/zinc/17/14/19/837171419.db2.gz RZCSVGHWJWIGAD-INIZCTEOSA-N 2 1 336.480 0.459 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCN1CCCC1=O)C1CC1 ZINC001267327134 837205745 /nfs/dbraw/zinc/20/57/45/837205745.db2.gz BRWJEXVIFPYDFT-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCN1CCCC1=O)C1CC1 ZINC001267327134 837205750 /nfs/dbraw/zinc/20/57/50/837205750.db2.gz BRWJEXVIFPYDFT-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCN1CCCC1=O)C1CC1 ZINC001267327134 837205757 /nfs/dbraw/zinc/20/57/57/837205757.db2.gz BRWJEXVIFPYDFT-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCN1CCCC1=O)C1CC1 ZINC001267327134 837205762 /nfs/dbraw/zinc/20/57/62/837205762.db2.gz BRWJEXVIFPYDFT-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267724626 838388150 /nfs/dbraw/zinc/38/81/50/838388150.db2.gz YIKGASZEUCTWSX-IXDOHACOSA-N 2 1 348.491 0.718 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267724626 838388153 /nfs/dbraw/zinc/38/81/53/838388153.db2.gz YIKGASZEUCTWSX-IXDOHACOSA-N 2 1 348.491 0.718 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267724626 838388157 /nfs/dbraw/zinc/38/81/57/838388157.db2.gz YIKGASZEUCTWSX-IXDOHACOSA-N 2 1 348.491 0.718 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267724626 838388161 /nfs/dbraw/zinc/38/81/61/838388161.db2.gz YIKGASZEUCTWSX-IXDOHACOSA-N 2 1 348.491 0.718 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267724626 838388164 /nfs/dbraw/zinc/38/81/64/838388164.db2.gz YIKGASZEUCTWSX-IXDOHACOSA-N 2 1 348.491 0.718 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267759368 838486753 /nfs/dbraw/zinc/48/67/53/838486753.db2.gz XSYKDMKOEKNKQA-UHFFFAOYSA-N 2 1 336.480 0.555 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001267834592 838628036 /nfs/dbraw/zinc/62/80/36/838628036.db2.gz WTJXDAIKDOJVMX-GJZGRUSLSA-N 2 1 334.464 0.237 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)CC[N@H+]1C ZINC001267842522 838640230 /nfs/dbraw/zinc/64/02/30/838640230.db2.gz XCZLAUQQGYNMAB-GJZGRUSLSA-N 2 1 349.479 0.375 20 30 ECEDMP C#CCNC(=O)CC[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000491325680 277689671 /nfs/dbraw/zinc/68/96/71/277689671.db2.gz FWZZJDRRWYUJPW-HNNXBMFYSA-N 2 1 334.489 0.766 20 30 ECEDMP N#CCNC(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159346702 436857023 /nfs/dbraw/zinc/85/70/23/436857023.db2.gz ADPFSZIDSUXSCV-UHFFFAOYSA-N 2 1 349.479 0.330 20 30 ECEDMP COC(=O)c1cccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000132402026 436864308 /nfs/dbraw/zinc/86/43/08/436864308.db2.gz FPFULLNHIRWMRD-UHFFFAOYSA-N 2 1 348.447 0.642 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC ZINC000264104176 437016785 /nfs/dbraw/zinc/01/67/85/437016785.db2.gz NHHPEGKNGKJWQF-UHFFFAOYSA-N 2 1 336.436 0.830 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(OC)cc1 ZINC000264083182 437017188 /nfs/dbraw/zinc/01/71/88/437017188.db2.gz IDXMCUVUFWHTMA-HNNXBMFYSA-N 2 1 347.463 0.814 20 30 ECEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264129064 437017275 /nfs/dbraw/zinc/01/72/75/437017275.db2.gz XHBRJHJPEWGSGX-OAHLLOKOSA-N 2 1 331.468 0.645 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000303898053 437156027 /nfs/dbraw/zinc/15/60/27/437156027.db2.gz QZLNRPQLYSMTDC-CYBMUJFWSA-N 2 1 337.468 0.996 20 30 ECEDMP CN(CCC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1)CC[NH+](C)C ZINC000289443176 437411730 /nfs/dbraw/zinc/41/17/30/437411730.db2.gz OPDHPIQSXJDXOH-UHFFFAOYSA-N 2 1 345.491 0.990 20 30 ECEDMP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000361530762 437667871 /nfs/dbraw/zinc/66/78/71/437667871.db2.gz LGFNTUKIZZQQEG-UHFFFAOYSA-N 2 1 331.420 0.974 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000491671251 439423783 /nfs/dbraw/zinc/42/37/83/439423783.db2.gz QABHDYUJLNKNEM-CYBMUJFWSA-N 2 1 349.401 0.077 20 30 ECEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250356 439604328 /nfs/dbraw/zinc/60/43/28/439604328.db2.gz VZAZWVSGZUARIS-SJORKVTESA-N 2 1 335.496 0.847 20 30 ECEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250356 439604332 /nfs/dbraw/zinc/60/43/32/439604332.db2.gz VZAZWVSGZUARIS-SJORKVTESA-N 2 1 335.496 0.847 20 30 ECEDMP C=CCNC(=O)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638283280 440495497 /nfs/dbraw/zinc/49/54/97/440495497.db2.gz VOGUMFZSDWOLDE-UHFFFAOYSA-N 2 1 344.459 0.788 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000668836196 547763274 /nfs/dbraw/zinc/76/32/74/547763274.db2.gz SOMMRIVSITYHHG-MRXNPFEDSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CCNc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895770769 586204097 /nfs/dbraw/zinc/20/40/97/586204097.db2.gz QZGBIKAJUHFCLM-CHWSQXEVSA-N 2 1 330.440 0.149 20 30 ECEDMP N#CC1(C[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCC1 ZINC000886102795 590797739 /nfs/dbraw/zinc/79/77/39/590797739.db2.gz QPTDCQCYKVPFRL-MRXNPFEDSA-N 2 1 337.464 0.590 20 30 ECEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104168609 591052473 /nfs/dbraw/zinc/05/24/73/591052473.db2.gz FWXPSESHGKWVMA-CALCHBBNSA-N 2 1 339.528 0.981 20 30 ECEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104168609 591052478 /nfs/dbraw/zinc/05/24/78/591052478.db2.gz FWXPSESHGKWVMA-CALCHBBNSA-N 3 1 339.528 0.981 20 30 ECEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104168609 591052482 /nfs/dbraw/zinc/05/24/82/591052482.db2.gz FWXPSESHGKWVMA-CALCHBBNSA-N 3 1 339.528 0.981 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690422 611415697 /nfs/dbraw/zinc/41/56/97/611415697.db2.gz QFQWTQSOTKBQQY-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690422 611415701 /nfs/dbraw/zinc/41/57/01/611415701.db2.gz QFQWTQSOTKBQQY-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690422 611415705 /nfs/dbraw/zinc/41/57/05/611415705.db2.gz QFQWTQSOTKBQQY-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)NC[C@H]1CCCS1 ZINC000179185987 609070613 /nfs/dbraw/zinc/07/06/13/609070613.db2.gz JPQJQXRQHJYBHY-CYBMUJFWSA-N 2 1 327.498 0.211 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000938170874 609482448 /nfs/dbraw/zinc/48/24/48/609482448.db2.gz QQSAQSYPFSZQCV-ULQDDVLXSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000938170874 609482449 /nfs/dbraw/zinc/48/24/49/609482449.db2.gz QQSAQSYPFSZQCV-ULQDDVLXSA-N 2 1 348.491 0.387 20 30 ECEDMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC#CC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000913523716 609684166 /nfs/dbraw/zinc/68/41/66/609684166.db2.gz JRMRICWJSJMGPB-QZTJIDSGSA-N 2 1 345.491 0.915 20 30 ECEDMP C#CCN(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841132 609951133 /nfs/dbraw/zinc/95/11/33/609951133.db2.gz BFIDFCUEVBNXER-SJORKVTESA-N 2 1 334.464 0.589 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000939813393 610137701 /nfs/dbraw/zinc/13/77/01/610137701.db2.gz ZXEZMDUCEMVDIB-RHSMWYFYSA-N 2 1 344.463 0.097 20 30 ECEDMP C#CCCN1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443757 610309027 /nfs/dbraw/zinc/30/90/27/610309027.db2.gz SIUHZJQEBVMGHY-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443757 610309028 /nfs/dbraw/zinc/30/90/28/610309028.db2.gz SIUHZJQEBVMGHY-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443757 610309029 /nfs/dbraw/zinc/30/90/29/610309029.db2.gz SIUHZJQEBVMGHY-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)CC[C@@H]2C1 ZINC000946896790 611237087 /nfs/dbraw/zinc/23/70/87/611237087.db2.gz OPCNPLRJMDHBRD-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896790 611237088 /nfs/dbraw/zinc/23/70/88/611237088.db2.gz OPCNPLRJMDHBRD-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896790 611237090 /nfs/dbraw/zinc/23/70/90/611237090.db2.gz OPCNPLRJMDHBRD-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896790 611237092 /nfs/dbraw/zinc/23/70/92/611237092.db2.gz OPCNPLRJMDHBRD-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896790 611237093 /nfs/dbraw/zinc/23/70/93/611237093.db2.gz OPCNPLRJMDHBRD-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000950872875 611959906 /nfs/dbraw/zinc/95/99/06/611959906.db2.gz NNPNATNFYHUHGH-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000950872875 611959909 /nfs/dbraw/zinc/95/99/09/611959909.db2.gz NNPNATNFYHUHGH-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001114985250 733001185 /nfs/dbraw/zinc/00/11/85/733001185.db2.gz ZVXRQTJARXGKSW-MNZLEMJZSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001114985250 733001189 /nfs/dbraw/zinc/00/11/89/733001189.db2.gz ZVXRQTJARXGKSW-MNZLEMJZSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114985250 733001200 /nfs/dbraw/zinc/00/12/00/733001200.db2.gz ZVXRQTJARXGKSW-MNZLEMJZSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114985250 733001203 /nfs/dbraw/zinc/00/12/03/733001203.db2.gz ZVXRQTJARXGKSW-MNZLEMJZSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167235850 733081129 /nfs/dbraw/zinc/08/11/29/733081129.db2.gz AWYKDXGDFCKHCZ-CABCVRRESA-N 2 1 336.480 0.362 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000971703340 734964191 /nfs/dbraw/zinc/96/41/91/734964191.db2.gz DYHMLCIHEVGSPN-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000971703340 734964195 /nfs/dbraw/zinc/96/41/95/734964195.db2.gz DYHMLCIHEVGSPN-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000971703340 734964197 /nfs/dbraw/zinc/96/41/97/734964197.db2.gz DYHMLCIHEVGSPN-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCc2ccnn2C)C1 ZINC000971703340 734964201 /nfs/dbraw/zinc/96/42/01/734964201.db2.gz DYHMLCIHEVGSPN-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCc2ccnn2C)C1 ZINC000971703340 734964203 /nfs/dbraw/zinc/96/42/03/734964203.db2.gz DYHMLCIHEVGSPN-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000971703737 734964765 /nfs/dbraw/zinc/96/47/65/734964765.db2.gz MUJPUEUBKWCCKH-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC000971703737 734964767 /nfs/dbraw/zinc/96/47/67/734964767.db2.gz MUJPUEUBKWCCKH-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000971703737 734964770 /nfs/dbraw/zinc/96/47/70/734964770.db2.gz MUJPUEUBKWCCKH-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCc2cnn(C)c2)C1 ZINC000971703737 734964772 /nfs/dbraw/zinc/96/47/72/734964772.db2.gz MUJPUEUBKWCCKH-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCc2cnn(C)c2)C1 ZINC000971703737 734964774 /nfs/dbraw/zinc/96/47/74/734964774.db2.gz MUJPUEUBKWCCKH-ROUUACIJSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000971703736 734964903 /nfs/dbraw/zinc/96/49/03/734964903.db2.gz MUJPUEUBKWCCKH-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC000971703736 734964907 /nfs/dbraw/zinc/96/49/07/734964907.db2.gz MUJPUEUBKWCCKH-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC000971703736 734964908 /nfs/dbraw/zinc/96/49/08/734964908.db2.gz MUJPUEUBKWCCKH-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2cnn(C)c2)C1 ZINC000971703736 734964912 /nfs/dbraw/zinc/96/49/12/734964912.db2.gz MUJPUEUBKWCCKH-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2cnn(C)c2)C1 ZINC000971703736 734964915 /nfs/dbraw/zinc/96/49/15/734964915.db2.gz MUJPUEUBKWCCKH-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001023759498 737319725 /nfs/dbraw/zinc/31/97/25/737319725.db2.gz GLHQUTLZMBXWGQ-RDJZCZTQSA-N 2 1 348.491 0.424 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001105283733 741641803 /nfs/dbraw/zinc/64/18/03/741641803.db2.gz VMKQYPZSVLESJP-UHFFFAOYSA-N 2 1 343.435 0.922 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CC4)C[C@@H]32)CC1 ZINC001083283832 739745567 /nfs/dbraw/zinc/74/55/67/739745567.db2.gz WFMLCBGBEAINLF-ZWKOTPCHSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]21 ZINC001025814081 739997421 /nfs/dbraw/zinc/99/74/21/739997421.db2.gz OPBIUUXSPQBJKY-ZWJWXYIHSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]21 ZINC001025814081 739997424 /nfs/dbraw/zinc/99/74/24/739997424.db2.gz OPBIUUXSPQBJKY-ZWJWXYIHSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](OC)C3CCC3)C[C@H]21 ZINC001025814081 739997428 /nfs/dbraw/zinc/99/74/28/739997428.db2.gz OPBIUUXSPQBJKY-ZWJWXYIHSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](OC)C3CCC3)C[C@H]21 ZINC001025814081 739997430 /nfs/dbraw/zinc/99/74/30/739997430.db2.gz OPBIUUXSPQBJKY-ZWJWXYIHSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001026508106 741494667 /nfs/dbraw/zinc/49/46/67/741494667.db2.gz CVWFFSWSEFKLCD-JCYILVPMSA-N 2 1 346.475 0.333 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001026508106 741494669 /nfs/dbraw/zinc/49/46/69/741494669.db2.gz CVWFFSWSEFKLCD-JCYILVPMSA-N 2 1 346.475 0.333 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750235 741762287 /nfs/dbraw/zinc/76/22/87/741762287.db2.gz YQYUKRQSZCSUSY-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750235 741762290 /nfs/dbraw/zinc/76/22/90/741762290.db2.gz YQYUKRQSZCSUSY-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327239 741813515 /nfs/dbraw/zinc/81/35/15/741813515.db2.gz XXAXLGUFZNHOFY-AWEZNQCLSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327239 741813516 /nfs/dbraw/zinc/81/35/16/741813516.db2.gz XXAXLGUFZNHOFY-AWEZNQCLSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(CC)n2)C1 ZINC001026893518 742038664 /nfs/dbraw/zinc/03/86/64/742038664.db2.gz JDQWBVHYPJQELT-WMZOPIPTSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(CC)n2)C1 ZINC001026893518 742038670 /nfs/dbraw/zinc/03/86/70/742038670.db2.gz JDQWBVHYPJQELT-WMZOPIPTSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001026894070 742039939 /nfs/dbraw/zinc/03/99/39/742039939.db2.gz VDYRWFUHOPAIRP-CVEARBPZSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001026894070 742039944 /nfs/dbraw/zinc/03/99/44/742039944.db2.gz VDYRWFUHOPAIRP-CVEARBPZSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001029003237 743156626 /nfs/dbraw/zinc/15/66/26/743156626.db2.gz JPPKGOIHAFIJJU-INIZCTEOSA-N 2 1 344.463 0.061 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001029004331 743158064 /nfs/dbraw/zinc/15/80/64/743158064.db2.gz VQFYBCXXMCEXRD-HZPDHXFCSA-N 2 1 348.491 0.246 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000997310137 743474562 /nfs/dbraw/zinc/47/45/62/743474562.db2.gz OIZCQDSCIOIQNO-MRXNPFEDSA-N 2 1 345.447 0.559 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)CC1 ZINC000997362528 743534634 /nfs/dbraw/zinc/53/46/34/743534634.db2.gz ADXMQKKAUYYSSA-UHFFFAOYSA-N 2 1 345.447 0.804 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCn2cncn2)CC1 ZINC001000787378 745763762 /nfs/dbraw/zinc/76/37/62/745763762.db2.gz GBRNPGSGFKORFI-KRWDZBQOSA-N 2 1 342.447 0.124 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cncn2)CC1 ZINC001000787378 745763767 /nfs/dbraw/zinc/76/37/67/745763767.db2.gz GBRNPGSGFKORFI-KRWDZBQOSA-N 2 1 342.447 0.124 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCn2cncn2)CC1 ZINC001000787378 745763771 /nfs/dbraw/zinc/76/37/71/745763771.db2.gz GBRNPGSGFKORFI-KRWDZBQOSA-N 2 1 342.447 0.124 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCn2cncn2)CC1 ZINC001000787378 745763774 /nfs/dbraw/zinc/76/37/74/745763774.db2.gz GBRNPGSGFKORFI-KRWDZBQOSA-N 2 1 342.447 0.124 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nncs3)C2)CC1 ZINC001000993043 745957998 /nfs/dbraw/zinc/95/79/98/745957998.db2.gz PQTGQPRGBLYPLC-OAHLLOKOSA-N 2 1 347.488 0.964 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001001263248 746223045 /nfs/dbraw/zinc/22/30/45/746223045.db2.gz IVWGKJNZCWBSSD-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001027694235 746860406 /nfs/dbraw/zinc/86/04/06/746860406.db2.gz UZYSMLRQEKSSOH-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC000984803776 746960147 /nfs/dbraw/zinc/96/01/47/746960147.db2.gz JNAJXOSXXLVBPF-VQHPVUNQSA-N 2 1 348.491 0.742 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985120202 747404890 /nfs/dbraw/zinc/40/48/90/747404890.db2.gz PNJXSAGCADWIEE-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC000980181169 749116518 /nfs/dbraw/zinc/11/65/18/749116518.db2.gz CDHKJTAJSKKMHA-JZXOWHBKSA-N 2 1 343.475 0.908 20 30 ECEDMP C[C@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)N1 ZINC000262671293 749253762 /nfs/dbraw/zinc/25/37/62/749253762.db2.gz RBJRHXDZYDTADF-XJKSGUPXSA-N 2 1 329.448 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCCNC3=O)C2)CC1 ZINC000980477356 749629715 /nfs/dbraw/zinc/62/97/15/749629715.db2.gz FFRZQBFIVVJDEE-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)CC1 ZINC000980477666 749630110 /nfs/dbraw/zinc/63/01/10/749630110.db2.gz IROBMFWYXHUVTN-HZPDHXFCSA-N 2 1 334.464 0.128 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812060 749693627 /nfs/dbraw/zinc/69/36/27/749693627.db2.gz HFKQHCWZKOKCJA-UHFFFAOYSA-N 2 1 338.496 0.897 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981783749 751104253 /nfs/dbraw/zinc/10/42/53/751104253.db2.gz DNUQVXBSOWHNDS-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783749 751104258 /nfs/dbraw/zinc/10/42/58/751104258.db2.gz DNUQVXBSOWHNDS-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783749 751104264 /nfs/dbraw/zinc/10/42/64/751104264.db2.gz DNUQVXBSOWHNDS-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812429 751132537 /nfs/dbraw/zinc/13/25/37/751132537.db2.gz NSZWNVACNCNYOE-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812429 751132541 /nfs/dbraw/zinc/13/25/41/751132541.db2.gz NSZWNVACNCNYOE-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP C[NH+]=C(NCC1(O)CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261709420 752654560 /nfs/dbraw/zinc/65/45/60/752654560.db2.gz JWNSYDAPLRJTFL-INIZCTEOSA-N 2 1 338.496 0.911 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546781 753127601 /nfs/dbraw/zinc/12/76/01/753127601.db2.gz FGKYOUXDCGFTRC-NXHRZFHOSA-N 2 1 333.476 0.805 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@]2(C)C1 ZINC000982639875 753192257 /nfs/dbraw/zinc/19/22/57/753192257.db2.gz BPUVWRYSTYCYPN-KDURUIRLSA-N 2 1 343.475 0.862 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098681114 753607370 /nfs/dbraw/zinc/60/73/70/753607370.db2.gz OGZJUDIZOSOAQX-JKSUJKDBSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028603698 753900342 /nfs/dbraw/zinc/90/03/42/753900342.db2.gz HOUCGFUXNOZEQV-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001028603698 753900349 /nfs/dbraw/zinc/90/03/49/753900349.db2.gz HOUCGFUXNOZEQV-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028603698 753900353 /nfs/dbraw/zinc/90/03/53/753900353.db2.gz HOUCGFUXNOZEQV-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001028603698 753900359 /nfs/dbraw/zinc/90/03/59/753900359.db2.gz HOUCGFUXNOZEQV-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001028603698 753900366 /nfs/dbraw/zinc/90/03/66/753900366.db2.gz HOUCGFUXNOZEQV-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C[NH+]=C(NCc1cccc(OC)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261811411 754170174 /nfs/dbraw/zinc/17/01/74/754170174.db2.gz SQTMCJSIHBHDOE-OAHLLOKOSA-N 2 1 347.463 0.820 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC000989829107 754498547 /nfs/dbraw/zinc/49/85/47/754498547.db2.gz OGJSSBHDSXUAAJ-GDBMZVCRSA-N 2 1 344.463 0.239 20 30 ECEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168344922 754760886 /nfs/dbraw/zinc/76/08/86/754760886.db2.gz FKPVMLMYPIFPNK-OAHLLOKOSA-N 2 1 349.479 0.377 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001009627802 755087414 /nfs/dbraw/zinc/08/74/14/755087414.db2.gz NJNLVBZAZKMPPS-CVEARBPZSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001009627802 755087421 /nfs/dbraw/zinc/08/74/21/755087421.db2.gz NJNLVBZAZKMPPS-CVEARBPZSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C)n2)CC1 ZINC001105881020 762372476 /nfs/dbraw/zinc/37/24/76/762372476.db2.gz PCRBBPRPOHBJLM-MRXNPFEDSA-N 2 1 345.447 0.328 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000990572214 755416940 /nfs/dbraw/zinc/41/69/40/755416940.db2.gz ZRWYQFGVCYYZLL-GOSISDBHSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000990572214 755416941 /nfs/dbraw/zinc/41/69/41/755416941.db2.gz ZRWYQFGVCYYZLL-GOSISDBHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)CC1 ZINC001021470055 757484248 /nfs/dbraw/zinc/48/42/48/757484248.db2.gz UGJJXTQJDDBFTA-HZTRTUMWSA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001076916110 757583058 /nfs/dbraw/zinc/58/30/58/757583058.db2.gz ULSMSXCNILOZPS-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001076999591 757876174 /nfs/dbraw/zinc/87/61/74/757876174.db2.gz XQNNLNXDMACHRJ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001076999591 757876183 /nfs/dbraw/zinc/87/61/83/757876183.db2.gz XQNNLNXDMACHRJ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001076999591 757876192 /nfs/dbraw/zinc/87/61/92/757876192.db2.gz XQNNLNXDMACHRJ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001076999591 757876201 /nfs/dbraw/zinc/87/62/01/757876201.db2.gz XQNNLNXDMACHRJ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001077124844 758286845 /nfs/dbraw/zinc/28/68/45/758286845.db2.gz FYXNYFROGIGQGW-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001077124844 758286854 /nfs/dbraw/zinc/28/68/54/758286854.db2.gz FYXNYFROGIGQGW-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001077124844 758286862 /nfs/dbraw/zinc/28/68/62/758286862.db2.gz FYXNYFROGIGQGW-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001077124844 758286872 /nfs/dbraw/zinc/28/68/72/758286872.db2.gz FYXNYFROGIGQGW-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001077125135 758288956 /nfs/dbraw/zinc/28/89/56/758288956.db2.gz OREBZCYGZXYPOT-HOTGVXAUSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001077125135 758288963 /nfs/dbraw/zinc/28/89/63/758288963.db2.gz OREBZCYGZXYPOT-HOTGVXAUSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001077125126 758289340 /nfs/dbraw/zinc/28/93/40/758289340.db2.gz OIKCOGYNDLREHZ-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001077125126 758289350 /nfs/dbraw/zinc/28/93/50/758289350.db2.gz OIKCOGYNDLREHZ-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)CC ZINC001077125126 758289358 /nfs/dbraw/zinc/28/93/58/758289358.db2.gz OIKCOGYNDLREHZ-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)CC ZINC001077125126 758289365 /nfs/dbraw/zinc/28/93/65/758289365.db2.gz OIKCOGYNDLREHZ-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001022220522 758441290 /nfs/dbraw/zinc/44/12/90/758441290.db2.gz IFQUUTIGSSGYME-XHSDSOJGSA-N 2 1 349.866 0.871 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001022220522 758441296 /nfs/dbraw/zinc/44/12/96/758441296.db2.gz IFQUUTIGSSGYME-XHSDSOJGSA-N 2 1 349.866 0.871 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001022220842 758441410 /nfs/dbraw/zinc/44/14/10/758441410.db2.gz RYFAZHUIDUNMFS-MPTYRVRUSA-N 2 1 327.432 0.872 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001022220842 758441414 /nfs/dbraw/zinc/44/14/14/758441414.db2.gz RYFAZHUIDUNMFS-MPTYRVRUSA-N 2 1 327.432 0.872 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996683187 758464226 /nfs/dbraw/zinc/46/42/26/758464226.db2.gz AWKPSLYNSAFQOO-INIZCTEOSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000996683368 758464257 /nfs/dbraw/zinc/46/42/57/758464257.db2.gz BXEADPSDFILUCP-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000996683368 758464262 /nfs/dbraw/zinc/46/42/62/758464262.db2.gz BXEADPSDFILUCP-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC000996684251 758467191 /nfs/dbraw/zinc/46/71/91/758467191.db2.gz HGDXILZYFRPJCA-KRWDZBQOSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC000996684251 758467194 /nfs/dbraw/zinc/46/71/94/758467194.db2.gz HGDXILZYFRPJCA-KRWDZBQOSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001077256415 758613658 /nfs/dbraw/zinc/61/36/58/758613658.db2.gz NSRDNHZXPKBAPQ-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077256415 758613667 /nfs/dbraw/zinc/61/36/67/758613667.db2.gz NSRDNHZXPKBAPQ-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001077256415 758613677 /nfs/dbraw/zinc/61/36/77/758613677.db2.gz NSRDNHZXPKBAPQ-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001077256415 758613683 /nfs/dbraw/zinc/61/36/83/758613683.db2.gz NSRDNHZXPKBAPQ-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC(=C)C)C[C@@H]2O)CC1 ZINC001047638112 759371384 /nfs/dbraw/zinc/37/13/84/759371384.db2.gz BZUVZWBRNJSBHU-ROUUACIJSA-N 2 1 333.476 0.801 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H]3CCCN(C)C3=O)C2)CC1 ZINC001032207324 759638084 /nfs/dbraw/zinc/63/80/84/759638084.db2.gz MXOYWVJKSIHZNA-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598445 760551663 /nfs/dbraw/zinc/55/16/63/760551663.db2.gz GNLMFOXTMRFVBX-KOHRHEQBSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001048546600 760695209 /nfs/dbraw/zinc/69/52/09/760695209.db2.gz FMHMTINRRFZYFC-BGAMWXSISA-N 2 1 343.471 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001048546600 760695216 /nfs/dbraw/zinc/69/52/16/760695216.db2.gz FMHMTINRRFZYFC-BGAMWXSISA-N 2 1 343.471 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001048546600 760695222 /nfs/dbraw/zinc/69/52/22/760695222.db2.gz FMHMTINRRFZYFC-BGAMWXSISA-N 2 1 343.471 0.842 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850009 763228562 /nfs/dbraw/zinc/22/85/62/763228562.db2.gz NHRKFENCDGKRCA-VQIMIIECSA-N 2 1 333.476 0.949 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001051931895 763370251 /nfs/dbraw/zinc/37/02/51/763370251.db2.gz IFHRCCZWBXYEMX-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000995084646 763419158 /nfs/dbraw/zinc/41/91/58/763419158.db2.gz DUIQGUQPRCGYNE-QGZVFWFLSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070886 763769231 /nfs/dbraw/zinc/76/92/31/763769231.db2.gz OJEYOIZGZQHRNP-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070886 763769237 /nfs/dbraw/zinc/76/92/37/763769237.db2.gz OJEYOIZGZQHRNP-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384233 764178491 /nfs/dbraw/zinc/17/84/91/764178491.db2.gz NUCBKMIYFPKBER-IRXDYDNUSA-N 2 1 349.479 0.528 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047528800 764605652 /nfs/dbraw/zinc/60/56/52/764605652.db2.gz CPYLRRYQGPUNCJ-IRXDYDNUSA-N 2 1 348.447 0.964 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047528800 764605660 /nfs/dbraw/zinc/60/56/60/764605660.db2.gz CPYLRRYQGPUNCJ-IRXDYDNUSA-N 2 1 348.447 0.964 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796840 765335031 /nfs/dbraw/zinc/33/50/31/765335031.db2.gz RODXQJJIGZHLDY-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796840 765335039 /nfs/dbraw/zinc/33/50/39/765335039.db2.gz RODXQJJIGZHLDY-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)CC1 ZINC001016335849 766141444 /nfs/dbraw/zinc/14/14/44/766141444.db2.gz GJLQZCXJFKBRRK-GOSISDBHSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nc3C)C2)CC1 ZINC001016335849 766141449 /nfs/dbraw/zinc/14/14/49/766141449.db2.gz GJLQZCXJFKBRRK-GOSISDBHSA-N 2 1 343.475 0.764 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1=O ZINC001031715711 766726276 /nfs/dbraw/zinc/72/62/76/766726276.db2.gz YNQXZBMMJHCSQY-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715711 766726277 /nfs/dbraw/zinc/72/62/77/766726277.db2.gz YNQXZBMMJHCSQY-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046042247 766755003 /nfs/dbraw/zinc/75/50/03/766755003.db2.gz XTRFRMSZOVRRFE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046042247 766755008 /nfs/dbraw/zinc/75/50/08/766755008.db2.gz XTRFRMSZOVRRFE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046042247 766755016 /nfs/dbraw/zinc/75/50/16/766755016.db2.gz XTRFRMSZOVRRFE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054257 766798961 /nfs/dbraw/zinc/79/89/61/766798961.db2.gz KCVUMXIBNPGDJS-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054257 766798967 /nfs/dbraw/zinc/79/89/67/766798967.db2.gz KCVUMXIBNPGDJS-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054257 766798973 /nfs/dbraw/zinc/79/89/73/766798973.db2.gz KCVUMXIBNPGDJS-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046057982 766816323 /nfs/dbraw/zinc/81/63/23/766816323.db2.gz BLJWHGWICRHRQD-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064357 766843377 /nfs/dbraw/zinc/84/33/77/766843377.db2.gz LMWXOFJDAYOZCC-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064357 766843385 /nfs/dbraw/zinc/84/33/85/766843385.db2.gz LMWXOFJDAYOZCC-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064357 766843391 /nfs/dbraw/zinc/84/33/91/766843391.db2.gz LMWXOFJDAYOZCC-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069797 766869148 /nfs/dbraw/zinc/86/91/48/766869148.db2.gz JADFLBBQRDIPSR-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001031742497 766998114 /nfs/dbraw/zinc/99/81/14/766998114.db2.gz HNAGMZTZBIDIRG-ZWKOTPCHSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001031742497 766998119 /nfs/dbraw/zinc/99/81/19/766998119.db2.gz HNAGMZTZBIDIRG-ZWKOTPCHSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000938826080 767124166 /nfs/dbraw/zinc/12/41/66/767124166.db2.gz AWHCZWHBNLFQJI-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000938826080 767124170 /nfs/dbraw/zinc/12/41/70/767124170.db2.gz AWHCZWHBNLFQJI-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000938826080 767124173 /nfs/dbraw/zinc/12/41/73/767124173.db2.gz AWHCZWHBNLFQJI-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000938826080 767124176 /nfs/dbraw/zinc/12/41/76/767124176.db2.gz AWHCZWHBNLFQJI-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CC(C)C)C3)C2)CC1 ZINC001054014463 767600528 /nfs/dbraw/zinc/60/05/28/767600528.db2.gz BCESBGLQXYDRQY-QGZVFWFLSA-N 2 1 333.476 0.947 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780488 767683271 /nfs/dbraw/zinc/68/32/71/767683271.db2.gz WQZLYDJWFDTHOT-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055577913 769171938 /nfs/dbraw/zinc/17/19/38/769171938.db2.gz FMNYBYPKIZWNJN-UHFFFAOYSA-N 2 1 346.475 0.192 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055630951 769301525 /nfs/dbraw/zinc/30/15/25/769301525.db2.gz AVYCNIXRYWODFO-CABCVRRESA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055645223 769336452 /nfs/dbraw/zinc/33/64/52/769336452.db2.gz ONLIZEBJDUCDJS-LSDHHAIUSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000993855251 769763203 /nfs/dbraw/zinc/76/32/03/769763203.db2.gz NDMMNFQEAUJSFQ-QGZVFWFLSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC001018985923 770483395 /nfs/dbraw/zinc/48/33/95/770483395.db2.gz MDTVFUTVUKPMNJ-HOCLYGCPSA-N 2 1 332.473 0.974 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC001018985923 770483398 /nfs/dbraw/zinc/48/33/98/770483398.db2.gz MDTVFUTVUKPMNJ-HOCLYGCPSA-N 2 1 332.473 0.974 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001018985852 770484375 /nfs/dbraw/zinc/48/43/75/770484375.db2.gz ITWJETXFZPKCFM-IRXDYDNUSA-N 2 1 329.448 0.517 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001018985852 770484380 /nfs/dbraw/zinc/48/43/80/770484380.db2.gz ITWJETXFZPKCFM-IRXDYDNUSA-N 2 1 329.448 0.517 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001020250826 772351654 /nfs/dbraw/zinc/35/16/54/772351654.db2.gz SVQBOHWQDMBQPA-ZOBUZTSGSA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001020250826 772351660 /nfs/dbraw/zinc/35/16/60/772351660.db2.gz SVQBOHWQDMBQPA-ZOBUZTSGSA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001020250808 772352348 /nfs/dbraw/zinc/35/23/48/772352348.db2.gz RYFAZHUIDUNMFS-ANQUJSFKSA-N 2 1 327.432 0.872 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001020250808 772352355 /nfs/dbraw/zinc/35/23/55/772352355.db2.gz RYFAZHUIDUNMFS-ANQUJSFKSA-N 2 1 327.432 0.872 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680822 781499425 /nfs/dbraw/zinc/49/94/25/781499425.db2.gz XVFMNCZLKBZZCW-CKEIUWERSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680822 781499428 /nfs/dbraw/zinc/49/94/28/781499428.db2.gz XVFMNCZLKBZZCW-CKEIUWERSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680822 781499435 /nfs/dbraw/zinc/49/94/35/781499435.db2.gz XVFMNCZLKBZZCW-CKEIUWERSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680822 781499441 /nfs/dbraw/zinc/49/94/41/781499441.db2.gz XVFMNCZLKBZZCW-CKEIUWERSA-N 2 1 325.428 0.384 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207699 783659138 /nfs/dbraw/zinc/65/91/38/783659138.db2.gz JYRUVXIMACYSEP-BBWFWOEESA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070264654 783766816 /nfs/dbraw/zinc/76/68/16/783766816.db2.gz YSEDPUZCXSSUES-JONQDZQNSA-N 2 1 332.452 0.536 20 30 ECEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070367045 783901802 /nfs/dbraw/zinc/90/18/02/783901802.db2.gz AWLDWLFRNFRPDE-RYRKJORJSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001070921997 784120210 /nfs/dbraw/zinc/12/02/10/784120210.db2.gz WJCHIKHEGRXVKO-IKGGRYGDSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001070921997 784120215 /nfs/dbraw/zinc/12/02/15/784120215.db2.gz WJCHIKHEGRXVKO-IKGGRYGDSA-N 2 1 348.491 0.531 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566272 784284320 /nfs/dbraw/zinc/28/43/20/784284320.db2.gz IFIWTSIRKYPSSF-UAGQMJEPSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566272 784284327 /nfs/dbraw/zinc/28/43/27/784284327.db2.gz IFIWTSIRKYPSSF-UAGQMJEPSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070719996 784593598 /nfs/dbraw/zinc/59/35/98/784593598.db2.gz GONRDBWZJAAEIH-INMHGKMJSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070719996 784593606 /nfs/dbraw/zinc/59/36/06/784593606.db2.gz GONRDBWZJAAEIH-INMHGKMJSA-N 2 1 347.463 0.211 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@@H](C)O2 ZINC001071186043 784690650 /nfs/dbraw/zinc/69/06/50/784690650.db2.gz PPGDESMAIGCLQM-AEFFLSMTSA-N 2 1 331.460 0.940 20 30 ECEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227336 784785507 /nfs/dbraw/zinc/78/55/07/784785507.db2.gz DFECNMORLSJMCY-QFBILLFUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071253268 784842767 /nfs/dbraw/zinc/84/27/67/784842767.db2.gz DXCIEVMBIJZXTE-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071253268 784842768 /nfs/dbraw/zinc/84/27/68/784842768.db2.gz DXCIEVMBIJZXTE-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553645 786358750 /nfs/dbraw/zinc/35/87/50/786358750.db2.gz GGZXUPRMGBXRAV-JKSUJKDBSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553645 786358754 /nfs/dbraw/zinc/35/87/54/786358754.db2.gz GGZXUPRMGBXRAV-JKSUJKDBSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553645 786358759 /nfs/dbraw/zinc/35/87/59/786358759.db2.gz GGZXUPRMGBXRAV-JKSUJKDBSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709873 787018076 /nfs/dbraw/zinc/01/80/76/787018076.db2.gz KRLXDWKZPLKSJE-VIHIWDAPSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709873 787018087 /nfs/dbraw/zinc/01/80/87/787018087.db2.gz KRLXDWKZPLKSJE-VIHIWDAPSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709873 787018092 /nfs/dbraw/zinc/01/80/92/787018092.db2.gz KRLXDWKZPLKSJE-VIHIWDAPSA-N 2 1 347.459 0.080 20 30 ECEDMP COCC#CC[NH2+]CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001267428833 837399397 /nfs/dbraw/zinc/39/93/97/837399397.db2.gz DHJVDPCXDJJUJG-UHFFFAOYSA-N 2 1 334.420 0.582 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267531684 837705391 /nfs/dbraw/zinc/70/53/91/837705391.db2.gz WXGAGIFYGSRFNN-MRXNPFEDSA-N 2 1 331.464 0.910 20 30 ECEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520529 835934084 /nfs/dbraw/zinc/93/40/84/835934084.db2.gz OPDMBIOUALXQKO-HZPDHXFCSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520529 835934089 /nfs/dbraw/zinc/93/40/89/835934089.db2.gz OPDMBIOUALXQKO-HZPDHXFCSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266520529 835934097 /nfs/dbraw/zinc/93/40/97/835934097.db2.gz OPDMBIOUALXQKO-HZPDHXFCSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266520529 835934106 /nfs/dbraw/zinc/93/41/06/835934106.db2.gz OPDMBIOUALXQKO-HZPDHXFCSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001266599837 836033343 /nfs/dbraw/zinc/03/33/43/836033343.db2.gz ZBZKHAWWFDMKIR-JYJNAYRXSA-N 2 1 349.479 0.028 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001266599837 836033351 /nfs/dbraw/zinc/03/33/51/836033351.db2.gz ZBZKHAWWFDMKIR-JYJNAYRXSA-N 2 1 349.479 0.028 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266685202 836139617 /nfs/dbraw/zinc/13/96/17/836139617.db2.gz BLLWVMQRLRPFHF-ARKGTOAJSA-N 2 1 334.464 0.091 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCn1nc(C)cc1C ZINC001266728789 836208214 /nfs/dbraw/zinc/20/82/14/836208214.db2.gz LIUGOYPBIUSVPC-KRWDZBQOSA-N 2 1 331.464 0.646 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCn1nc(C)cc1C ZINC001266728789 836208225 /nfs/dbraw/zinc/20/82/25/836208225.db2.gz LIUGOYPBIUSVPC-KRWDZBQOSA-N 2 1 331.464 0.646 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266751184 836242743 /nfs/dbraw/zinc/24/27/43/836242743.db2.gz CTJBHCQKANZHGE-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266751184 836242750 /nfs/dbraw/zinc/24/27/50/836242750.db2.gz CTJBHCQKANZHGE-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266751184 836242758 /nfs/dbraw/zinc/24/27/58/836242758.db2.gz CTJBHCQKANZHGE-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001266880276 836427207 /nfs/dbraw/zinc/42/72/07/836427207.db2.gz HCUQHXQKKMVQFJ-QGZVFWFLSA-N 2 1 337.464 0.329 20 30 ECEDMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892493 836441929 /nfs/dbraw/zinc/44/19/29/836441929.db2.gz VXZPQSIWRCHOQS-GJZGRUSLSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892493 836441930 /nfs/dbraw/zinc/44/19/30/836441930.db2.gz VXZPQSIWRCHOQS-GJZGRUSLSA-N 2 1 349.479 0.327 20 30 ECEDMP C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267730928 838417353 /nfs/dbraw/zinc/41/73/53/838417353.db2.gz HDSVFAFLFXZBEF-HOTGVXAUSA-N 2 1 336.480 0.742 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267955123 838857928 /nfs/dbraw/zinc/85/79/28/838857928.db2.gz JPHBZOCDCGZABI-CABCVRRESA-N 2 1 335.452 0.080 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267991138 838933693 /nfs/dbraw/zinc/93/36/93/838933693.db2.gz ZQXBSELVBDTHOD-RDJZCZTQSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCc1ccnn1C ZINC001267989662 838934000 /nfs/dbraw/zinc/93/40/00/838934000.db2.gz NGZQOGBPGQCHJC-WBVHZDCISA-N 2 1 331.464 0.402 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCc1ccnn1C ZINC001267989662 838934015 /nfs/dbraw/zinc/93/40/15/838934015.db2.gz NGZQOGBPGQCHJC-WBVHZDCISA-N 2 1 331.464 0.402 20 30 ECEDMP N#Cc1ccccc1OC[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000528560009 268298466 /nfs/dbraw/zinc/29/84/66/268298466.db2.gz FUROZHSQFHNCEV-QZTJIDSGSA-N 2 1 345.443 0.829 20 30 ECEDMP CN(C(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000273368536 436750229 /nfs/dbraw/zinc/75/02/29/436750229.db2.gz VBCKXIMOSPVGCE-UHFFFAOYSA-N 2 1 329.448 0.983 20 30 ECEDMP C#CCNC(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000293667079 436898312 /nfs/dbraw/zinc/89/83/12/436898312.db2.gz UOAARUCYDUHVQZ-UHFFFAOYSA-N 2 1 342.487 0.876 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000304748157 437160982 /nfs/dbraw/zinc/16/09/82/437160982.db2.gz GXIUQPSTSPYZNY-CYBMUJFWSA-N 2 1 325.457 0.853 20 30 ECEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329354747 437357219 /nfs/dbraw/zinc/35/72/19/437357219.db2.gz VNOMXGPQHCGUHC-OAHLLOKOSA-N 2 1 325.501 0.858 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478164 437658648 /nfs/dbraw/zinc/65/86/48/437658648.db2.gz AENGIXGRRBTQCH-HOTGVXAUSA-N 2 1 334.464 0.496 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340826835 437747340 /nfs/dbraw/zinc/74/73/40/437747340.db2.gz OVWNQSQHRHZRCT-HOTGVXAUSA-N 2 1 334.464 0.496 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000347021944 437826747 /nfs/dbraw/zinc/82/67/47/437826747.db2.gz XPEXIADKSWPQNA-OAHLLOKOSA-N 2 1 337.468 0.276 20 30 ECEDMP C[C@H](C#N)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000416387602 437922851 /nfs/dbraw/zinc/92/28/51/437922851.db2.gz UGYNLEKRMGPGKW-CQSZACIVSA-N 2 1 337.449 0.425 20 30 ECEDMP CN1CCC([N@@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666494 438289696 /nfs/dbraw/zinc/28/96/96/438289696.db2.gz SFPKMHJHBCJEKK-ZDUSSCGKSA-N 2 1 330.392 1.442 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000596691408 438990697 /nfs/dbraw/zinc/99/06/97/438990697.db2.gz ZCCMICLGZGQXFG-GOEBONIOSA-N 2 1 325.457 0.318 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@](O)(CC#N)C1 ZINC000596691408 438990702 /nfs/dbraw/zinc/99/07/02/438990702.db2.gz ZCCMICLGZGQXFG-GOEBONIOSA-N 2 1 325.457 0.318 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000491427911 439382240 /nfs/dbraw/zinc/38/22/40/439382240.db2.gz MMJUVASIEYYYNS-IAGOWNOFSA-N 2 1 336.480 0.869 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673344 439424011 /nfs/dbraw/zinc/42/40/11/439424011.db2.gz IJMXGALIGYKCBD-HIFRSBDPSA-N 2 1 347.381 0.399 20 30 ECEDMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441016 439562817 /nfs/dbraw/zinc/56/28/17/439562817.db2.gz LAFVGBJTGNGXTI-HNNXBMFYSA-N 2 1 337.468 0.504 20 30 ECEDMP CN(CCC[N@@H+](C)Cc1cnc2c(C#N)cnn2c1)CC[NH+](C)C ZINC000572363935 439576604 /nfs/dbraw/zinc/57/66/04/439576604.db2.gz MATCQOGWOHZLGI-UHFFFAOYSA-N 2 1 329.452 0.916 20 30 ECEDMP C=CCn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nn1 ZINC000648255284 440267668 /nfs/dbraw/zinc/26/76/68/440267668.db2.gz VYQNWVHJSLLCAY-UHFFFAOYSA-N 2 1 327.392 0.863 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656310686 440759658 /nfs/dbraw/zinc/75/96/58/440759658.db2.gz CWPLGJJMZARFRE-IAGOWNOFSA-N 2 1 348.491 0.886 20 30 ECEDMP C[C@](O)(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000186890532 545899895 /nfs/dbraw/zinc/89/98/95/545899895.db2.gz ANKUEXGZBDFQPS-SFHVURJKSA-N 2 1 334.464 0.911 20 30 ECEDMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329396336 546021961 /nfs/dbraw/zinc/02/19/61/546021961.db2.gz XLTRLKRRHSLCEM-MRXNPFEDSA-N 2 1 325.501 0.856 20 30 ECEDMP C=C1[C@@H](C(=O)NCC[NH+](C)C2CC2)[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000900367298 586627707 /nfs/dbraw/zinc/62/77/07/586627707.db2.gz NBIWQQXZQNJFJM-HZPDHXFCSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900592240 586645040 /nfs/dbraw/zinc/64/50/40/586645040.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900592240 586645042 /nfs/dbraw/zinc/64/50/42/586645042.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900592240 586645044 /nfs/dbraw/zinc/64/50/44/586645044.db2.gz XHEMLIFPVNGZEQ-SYMSYNOKSA-N 2 1 334.464 0.209 20 30 ECEDMP C=CCNC(=O)CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733731 586805242 /nfs/dbraw/zinc/80/52/42/586805242.db2.gz PIUQSPUEMPAFAN-INIZCTEOSA-N 2 1 336.480 0.065 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]CCOC ZINC000864236402 590061650 /nfs/dbraw/zinc/06/16/50/590061650.db2.gz JLVZQSDAYUOIEO-VXGBXAGGSA-N 2 1 340.390 0.576 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000880517205 590399162 /nfs/dbraw/zinc/39/91/62/590399162.db2.gz MEHBZMAOUQHHIT-UHFFFAOYSA-N 2 1 334.508 0.962 20 30 ECEDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000878641030 590532804 /nfs/dbraw/zinc/53/28/04/590532804.db2.gz OAEYOUWJXHOSEW-INIZCTEOSA-N 2 1 343.431 0.617 20 30 ECEDMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000878641030 590532807 /nfs/dbraw/zinc/53/28/07/590532807.db2.gz OAEYOUWJXHOSEW-INIZCTEOSA-N 2 1 343.431 0.617 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000884179342 590764086 /nfs/dbraw/zinc/76/40/86/590764086.db2.gz MAANPJHEBZLKME-GARNVTTQSA-N 2 1 332.448 0.449 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000930492438 611435168 /nfs/dbraw/zinc/43/51/68/611435168.db2.gz XTFGDLSVFZNWCM-YOEHRIQHSA-N 2 1 346.475 0.141 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC000949244376 608596073 /nfs/dbraw/zinc/59/60/73/608596073.db2.gz DPOVREZURYWASC-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913523472 609684116 /nfs/dbraw/zinc/68/41/16/609684116.db2.gz BDEYKCNSDKQZHE-SJLPKXTDSA-N 2 1 329.444 0.957 20 30 ECEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913523472 609684117 /nfs/dbraw/zinc/68/41/17/609684117.db2.gz BDEYKCNSDKQZHE-SJLPKXTDSA-N 2 1 329.444 0.957 20 30 ECEDMP Cc1nc(CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)no1 ZINC000912506265 609963081 /nfs/dbraw/zinc/96/30/81/609963081.db2.gz LSWMBCTYXXTLIC-UHFFFAOYSA-N 2 1 338.456 0.934 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941455396 610327549 /nfs/dbraw/zinc/32/75/49/610327549.db2.gz PPHKNYRIZWYPLY-UHFFFAOYSA-N 2 1 344.503 0.714 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941677875 610451037 /nfs/dbraw/zinc/45/10/37/610451037.db2.gz XQEKCIVQXUVDCN-UHFFFAOYSA-N 2 1 332.492 0.714 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000933853078 611753900 /nfs/dbraw/zinc/75/39/00/611753900.db2.gz KODDHNXZJCRMIK-UHFFFAOYSA-N 2 1 348.491 0.391 20 30 ECEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471001 611991876 /nfs/dbraw/zinc/99/18/76/611991876.db2.gz NNRVZSSTXVXCKH-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471001 611991877 /nfs/dbraw/zinc/99/18/77/611991877.db2.gz NNRVZSSTXVXCKH-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471001 611991878 /nfs/dbraw/zinc/99/18/78/611991878.db2.gz NNRVZSSTXVXCKH-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471001 611991879 /nfs/dbraw/zinc/99/18/79/611991879.db2.gz NNRVZSSTXVXCKH-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954631531 612470306 /nfs/dbraw/zinc/47/03/06/612470306.db2.gz ZARLCIBFWIKMNH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000954631531 612470309 /nfs/dbraw/zinc/47/03/09/612470309.db2.gz ZARLCIBFWIKMNH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954631531 612470312 /nfs/dbraw/zinc/47/03/12/612470312.db2.gz ZARLCIBFWIKMNH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000954631531 612470318 /nfs/dbraw/zinc/47/03/18/612470318.db2.gz ZARLCIBFWIKMNH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954631528 612470410 /nfs/dbraw/zinc/47/04/10/612470410.db2.gz ZARLCIBFWIKMNH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000954631528 612470413 /nfs/dbraw/zinc/47/04/13/612470413.db2.gz ZARLCIBFWIKMNH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954631528 612470416 /nfs/dbraw/zinc/47/04/16/612470416.db2.gz ZARLCIBFWIKMNH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000954631528 612470424 /nfs/dbraw/zinc/47/04/24/612470424.db2.gz ZARLCIBFWIKMNH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970745111 733901946 /nfs/dbraw/zinc/90/19/46/733901946.db2.gz JEBHVTYONKKPHT-HOCLYGCPSA-N 2 1 346.475 0.306 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cn(CC)nn3)C2)CC1 ZINC000970792589 733943759 /nfs/dbraw/zinc/94/37/59/733943759.db2.gz ORTVVEHZPGOHML-MRXNPFEDSA-N 2 1 344.463 0.334 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167476449 734724938 /nfs/dbraw/zinc/72/49/38/734724938.db2.gz XFFSRRBDFYWOGJ-AWEZNQCLSA-N 2 1 335.452 0.793 20 30 ECEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422195 735926544 /nfs/dbraw/zinc/92/65/44/735926544.db2.gz FHCBVDORRWNZLU-NVXWUHKLSA-N 2 1 332.448 0.916 20 30 ECEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001098572616 736285390 /nfs/dbraw/zinc/28/53/90/736285390.db2.gz QWKYVPGONQAGCF-UHFFFAOYSA-N 2 1 345.487 0.640 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001023761922 737326166 /nfs/dbraw/zinc/32/61/66/737326166.db2.gz MQCSYELHCRKSGI-WBVHZDCISA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001024021856 737626819 /nfs/dbraw/zinc/62/68/19/737626819.db2.gz LBJLLZFLMJOAAK-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001024021856 737626820 /nfs/dbraw/zinc/62/68/20/737626820.db2.gz LBJLLZFLMJOAAK-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]21 ZINC001025814098 739996975 /nfs/dbraw/zinc/99/69/75/739996975.db2.gz SFBCFNNYTZAPAH-TUKIQBAZSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]21 ZINC001025814098 739996979 /nfs/dbraw/zinc/99/69/79/739996979.db2.gz SFBCFNNYTZAPAH-TUKIQBAZSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CC(OCC)C3)C[C@H]21 ZINC001025814098 739996981 /nfs/dbraw/zinc/99/69/81/739996981.db2.gz SFBCFNNYTZAPAH-TUKIQBAZSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CC(OCC)C3)C[C@H]21 ZINC001025814098 739996984 /nfs/dbraw/zinc/99/69/84/739996984.db2.gz SFBCFNNYTZAPAH-TUKIQBAZSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000974265585 741197653 /nfs/dbraw/zinc/19/76/53/741197653.db2.gz PRSAOHWMDLFKQF-NCOADZHNSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000974265585 741197656 /nfs/dbraw/zinc/19/76/56/741197656.db2.gz PRSAOHWMDLFKQF-NCOADZHNSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000974265585 741197660 /nfs/dbraw/zinc/19/76/60/741197660.db2.gz PRSAOHWMDLFKQF-NCOADZHNSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000974265585 741197663 /nfs/dbraw/zinc/19/76/63/741197663.db2.gz PRSAOHWMDLFKQF-NCOADZHNSA-N 2 1 346.475 0.332 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105064467 741273185 /nfs/dbraw/zinc/27/31/85/741273185.db2.gz QBBKDVXTHNAOOZ-HUUCEWRRSA-N 2 1 337.468 0.041 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001026893443 742037789 /nfs/dbraw/zinc/03/77/89/742037789.db2.gz GQBSYMVHZOOOOP-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001026893443 742037791 /nfs/dbraw/zinc/03/77/91/742037791.db2.gz GQBSYMVHZOOOOP-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001026894304 742040329 /nfs/dbraw/zinc/04/03/29/742040329.db2.gz ZZIQFQVPLRVGGO-ZBFHGGJFSA-N 2 1 331.420 0.414 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001026894304 742040335 /nfs/dbraw/zinc/04/03/35/742040335.db2.gz ZZIQFQVPLRVGGO-ZBFHGGJFSA-N 2 1 331.420 0.414 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997149993 743289303 /nfs/dbraw/zinc/28/93/03/743289303.db2.gz TXVUIDSHLVJCIV-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997149993 743289308 /nfs/dbraw/zinc/28/93/08/743289308.db2.gz TXVUIDSHLVJCIV-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262023050 743478181 /nfs/dbraw/zinc/47/81/81/743478181.db2.gz ZECANZCWDWOZQG-GDBMZVCRSA-N 2 1 337.512 0.745 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3csnn3)CC2)CC1 ZINC000997364795 743536013 /nfs/dbraw/zinc/53/60/13/743536013.db2.gz NTHAHSLAGGGJJB-UHFFFAOYSA-N 2 1 347.488 0.964 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000997831417 743841901 /nfs/dbraw/zinc/84/19/01/743841901.db2.gz GVEGDLAVVRWTMO-KRWDZBQOSA-N 2 1 345.447 0.804 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000997831417 743841903 /nfs/dbraw/zinc/84/19/03/743841903.db2.gz GVEGDLAVVRWTMO-KRWDZBQOSA-N 2 1 345.447 0.804 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997830945 743842058 /nfs/dbraw/zinc/84/20/58/743842058.db2.gz DYYIUFSOSXEPGR-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997830945 743842061 /nfs/dbraw/zinc/84/20/61/743842061.db2.gz DYYIUFSOSXEPGR-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001167901002 751913453 /nfs/dbraw/zinc/91/34/53/751913453.db2.gz PBRXZFXEVQLOCA-IBGZPJMESA-N 2 1 346.475 0.098 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC000998923058 744407895 /nfs/dbraw/zinc/40/78/95/744407895.db2.gz NGWQFLMKECTVJC-DQPZFDDXSA-N 2 1 344.463 0.475 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC000998923058 744407896 /nfs/dbraw/zinc/40/78/96/744407896.db2.gz NGWQFLMKECTVJC-DQPZFDDXSA-N 2 1 344.463 0.475 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960093 745101193 /nfs/dbraw/zinc/10/11/93/745101193.db2.gz BMQZNIDWYWLSEC-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960093 745101198 /nfs/dbraw/zinc/10/11/98/745101198.db2.gz BMQZNIDWYWLSEC-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960093 745101202 /nfs/dbraw/zinc/10/12/02/745101202.db2.gz BMQZNIDWYWLSEC-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961196 745103541 /nfs/dbraw/zinc/10/35/41/745103541.db2.gz IHGIIRNLPCHRIU-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961196 745103543 /nfs/dbraw/zinc/10/35/43/745103543.db2.gz IHGIIRNLPCHRIU-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961196 745103549 /nfs/dbraw/zinc/10/35/49/745103549.db2.gz IHGIIRNLPCHRIU-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990349 745147732 /nfs/dbraw/zinc/14/77/32/745147732.db2.gz JUSBSQZQNQNMHU-DLBZAZTESA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990349 745147734 /nfs/dbraw/zinc/14/77/34/745147734.db2.gz JUSBSQZQNQNMHU-DLBZAZTESA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990349 745147738 /nfs/dbraw/zinc/14/77/38/745147738.db2.gz JUSBSQZQNQNMHU-DLBZAZTESA-N 2 1 344.463 0.647 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046317 745226961 /nfs/dbraw/zinc/22/69/61/745226961.db2.gz SHPBDWIHPFEGOG-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046317 745226967 /nfs/dbraw/zinc/22/69/67/745226967.db2.gz SHPBDWIHPFEGOG-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046317 745226973 /nfs/dbraw/zinc/22/69/73/745226973.db2.gz SHPBDWIHPFEGOG-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520484 745562979 /nfs/dbraw/zinc/56/29/79/745562979.db2.gz FKZGEMBYEODQHV-IAGOWNOFSA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520484 745562980 /nfs/dbraw/zinc/56/29/80/745562980.db2.gz FKZGEMBYEODQHV-IAGOWNOFSA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520484 745562981 /nfs/dbraw/zinc/56/29/81/745562981.db2.gz FKZGEMBYEODQHV-IAGOWNOFSA-N 2 1 346.475 0.616 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001000993046 745958143 /nfs/dbraw/zinc/95/81/43/745958143.db2.gz PQUXYYHUOHMCIS-QGZVFWFLSA-N 2 1 341.459 0.902 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)C(N)=O)C2)CC1 ZINC001027694429 746862793 /nfs/dbraw/zinc/86/27/93/746862793.db2.gz YEIRXVCXDYUVKN-ZBFHGGJFSA-N 2 1 334.464 0.128 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046280 747140800 /nfs/dbraw/zinc/14/08/00/747140800.db2.gz NGIIBGRMOPREAW-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000985332627 747724528 /nfs/dbraw/zinc/72/45/28/747724528.db2.gz RAEKDKARQZNEDN-SJORKVTESA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000985332627 747724531 /nfs/dbraw/zinc/72/45/31/747724531.db2.gz RAEKDKARQZNEDN-SJORKVTESA-N 2 1 348.491 0.790 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)CC1 ZINC000980477491 749629789 /nfs/dbraw/zinc/62/97/89/749629789.db2.gz HAWGZICATUHPJE-SJORKVTESA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184258 750340631 /nfs/dbraw/zinc/34/06/31/750340631.db2.gz LKESHSAYTWFOGK-IRXDYDNUSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167835127 750466027 /nfs/dbraw/zinc/46/60/27/750466027.db2.gz AYTKCXPQACBJGN-OAHLLOKOSA-N 2 1 338.496 0.895 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000981332592 750591986 /nfs/dbraw/zinc/59/19/86/750591986.db2.gz CCFPZJNITUDMHM-SJORKVTESA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000981332592 750591988 /nfs/dbraw/zinc/59/19/88/750591988.db2.gz CCFPZJNITUDMHM-SJORKVTESA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001006314500 751233602 /nfs/dbraw/zinc/23/36/02/751233602.db2.gz LNNCJTXJHVMJKZ-PVAVHDDUSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098682752 753684930 /nfs/dbraw/zinc/68/49/30/753684930.db2.gz GEGPALOTYRUTGX-QGZVFWFLSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCC)nn2)C1 ZINC001098683070 753693144 /nfs/dbraw/zinc/69/31/44/753693144.db2.gz OYQFASFNOJZWLX-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCC)nn2)C1 ZINC001098683070 753693146 /nfs/dbraw/zinc/69/31/46/753693146.db2.gz OYQFASFNOJZWLX-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685180 753763294 /nfs/dbraw/zinc/76/32/94/753763294.db2.gz ASTPHTANERSXCT-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685180 753763297 /nfs/dbraw/zinc/76/32/97/753763297.db2.gz ASTPHTANERSXCT-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261833499 754417455 /nfs/dbraw/zinc/41/74/55/754417455.db2.gz VPSWUEMLIAQWLA-RBSFLKMASA-N 2 1 325.501 0.601 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nncn3C)C[C@@H]2C)CC1 ZINC000989829225 754498394 /nfs/dbraw/zinc/49/83/94/754498394.db2.gz PJRWYPADXQFGHY-HOCLYGCPSA-N 2 1 344.463 0.239 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522921 755890406 /nfs/dbraw/zinc/89/04/06/755890406.db2.gz CTLDUFVJUNSXLQ-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522921 755890411 /nfs/dbraw/zinc/89/04/11/755890411.db2.gz CTLDUFVJUNSXLQ-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522921 755890415 /nfs/dbraw/zinc/89/04/15/755890415.db2.gz CTLDUFVJUNSXLQ-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522921 755890423 /nfs/dbraw/zinc/89/04/23/755890423.db2.gz CTLDUFVJUNSXLQ-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070307 756055773 /nfs/dbraw/zinc/05/57/73/756055773.db2.gz DEVWOKHMNWHDHW-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070307 756055778 /nfs/dbraw/zinc/05/57/78/756055778.db2.gz DEVWOKHMNWHDHW-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070307 756055785 /nfs/dbraw/zinc/05/57/85/756055785.db2.gz DEVWOKHMNWHDHW-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869869 757237387 /nfs/dbraw/zinc/23/73/87/757237387.db2.gz GJUPZJTYVYJUDY-BDXSIMOUSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869869 757237395 /nfs/dbraw/zinc/23/73/95/757237395.db2.gz GJUPZJTYVYJUDY-BDXSIMOUSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869869 757237404 /nfs/dbraw/zinc/23/74/04/757237404.db2.gz GJUPZJTYVYJUDY-BDXSIMOUSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869869 757237411 /nfs/dbraw/zinc/23/74/11/757237411.db2.gz GJUPZJTYVYJUDY-BDXSIMOUSA-N 2 1 331.460 0.511 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048891665 757312779 /nfs/dbraw/zinc/31/27/79/757312779.db2.gz TWDJYTDELDCNOM-YYIAUSFCSA-N 2 1 348.491 0.504 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)CC1 ZINC001021469997 757484164 /nfs/dbraw/zinc/48/41/64/757484164.db2.gz QFQCNUSRKFFVHO-ALOPSCKCSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000996443532 757614301 /nfs/dbraw/zinc/61/43/01/757614301.db2.gz SVKYJRNZXVRBGN-OAHLLOKOSA-N 2 1 346.475 0.000 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001021927988 758074075 /nfs/dbraw/zinc/07/40/75/758074075.db2.gz KTVKHBJOXHMUHF-TYNCELHUSA-N 2 1 334.445 0.687 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001021927988 758074086 /nfs/dbraw/zinc/07/40/86/758074086.db2.gz KTVKHBJOXHMUHF-TYNCELHUSA-N 2 1 334.445 0.687 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996686448 758499689 /nfs/dbraw/zinc/49/96/89/758499689.db2.gz UCENYUHNIORJBF-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996686448 758499695 /nfs/dbraw/zinc/49/96/95/758499695.db2.gz UCENYUHNIORJBF-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127779569 758625501 /nfs/dbraw/zinc/62/55/01/758625501.db2.gz OFMSMSLPAHCPMV-SWLSCSKDSA-N 2 1 334.445 0.689 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)CC1 ZINC001047638132 759372310 /nfs/dbraw/zinc/37/23/10/759372310.db2.gz COVMFBBGODZFQR-ULQDDVLXSA-N 2 1 339.455 0.583 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)CC1 ZINC001047638132 759372317 /nfs/dbraw/zinc/37/23/17/759372317.db2.gz COVMFBBGODZFQR-ULQDDVLXSA-N 2 1 339.455 0.583 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042671 759503935 /nfs/dbraw/zinc/50/39/35/759503935.db2.gz XOMNZCGRXIWKEU-BZUAXINKSA-N 2 1 338.496 0.701 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001048532824 760672501 /nfs/dbraw/zinc/67/25/01/760672501.db2.gz HMZKJYUHISYBRA-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001048532824 760672504 /nfs/dbraw/zinc/67/25/04/760672504.db2.gz HMZKJYUHISYBRA-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001048532824 760672506 /nfs/dbraw/zinc/67/25/06/760672506.db2.gz HMZKJYUHISYBRA-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001048532824 760672509 /nfs/dbraw/zinc/67/25/09/760672509.db2.gz HMZKJYUHISYBRA-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052459001 764545143 /nfs/dbraw/zinc/54/51/43/764545143.db2.gz INHNIWYWGQQJHN-IRXDYDNUSA-N 2 1 344.463 0.346 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052459001 764545150 /nfs/dbraw/zinc/54/51/50/764545150.db2.gz INHNIWYWGQQJHN-IRXDYDNUSA-N 2 1 344.463 0.346 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCn2cncn2)CC1 ZINC001052459001 764545156 /nfs/dbraw/zinc/54/51/56/764545156.db2.gz INHNIWYWGQQJHN-IRXDYDNUSA-N 2 1 344.463 0.346 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCn2cncn2)CC1 ZINC001052459001 764545163 /nfs/dbraw/zinc/54/51/63/764545163.db2.gz INHNIWYWGQQJHN-IRXDYDNUSA-N 2 1 344.463 0.346 20 30 ECEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527518 764597417 /nfs/dbraw/zinc/59/74/17/764597417.db2.gz GJELVSXUFRNJJH-ZQIUZPCESA-N 2 1 325.428 0.336 20 30 ECEDMP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527344 764598275 /nfs/dbraw/zinc/59/82/75/764598275.db2.gz CUEWQDIOLMGULZ-RLFYNMQTSA-N 2 1 339.455 0.726 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581266 764767238 /nfs/dbraw/zinc/76/72/38/764767238.db2.gz QDJQDWAQGVEPTG-IRXDYDNUSA-N 2 1 341.415 0.961 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581266 764767244 /nfs/dbraw/zinc/76/72/44/764767244.db2.gz QDJQDWAQGVEPTG-IRXDYDNUSA-N 2 1 341.415 0.961 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592189 764805462 /nfs/dbraw/zinc/80/54/62/764805462.db2.gz GOAFJTOEXXWKET-ROUUACIJSA-N 2 1 333.476 0.635 20 30 ECEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592189 764805476 /nfs/dbraw/zinc/80/54/76/764805476.db2.gz GOAFJTOEXXWKET-ROUUACIJSA-N 2 1 333.476 0.635 20 30 ECEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001047626821 764919939 /nfs/dbraw/zinc/91/99/39/764919939.db2.gz GSDVWGWWIKCWDA-FHWLQOOXSA-N 2 1 341.455 0.493 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958082 764943606 /nfs/dbraw/zinc/94/36/06/764943606.db2.gz SZYWFXPMJXUYIL-IFGVMOBSSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958082 764943612 /nfs/dbraw/zinc/94/36/12/764943612.db2.gz SZYWFXPMJXUYIL-IFGVMOBSSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958082 764943617 /nfs/dbraw/zinc/94/36/17/764943617.db2.gz SZYWFXPMJXUYIL-IFGVMOBSSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC001016328282 766122757 /nfs/dbraw/zinc/12/27/57/766122757.db2.gz CBAWCPBPIRYSHX-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC001016328282 766122759 /nfs/dbraw/zinc/12/27/59/766122759.db2.gz CBAWCPBPIRYSHX-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001016331129 766130833 /nfs/dbraw/zinc/13/08/33/766130833.db2.gz XDVJNGNVMQOLJS-QGZVFWFLSA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)CC1 ZINC001053699878 766618587 /nfs/dbraw/zinc/61/85/87/766618587.db2.gz KFFMGFNUBDFZHS-NVXWUHKLSA-N 2 1 349.475 0.062 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030173 766697132 /nfs/dbraw/zinc/69/71/32/766697132.db2.gz KZDHAEOMOGXYNU-ZWKOTPCHSA-N 2 1 332.492 0.733 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000994755232 766714336 /nfs/dbraw/zinc/71/43/36/766714336.db2.gz QNHKEFFGSFFNLW-INIZCTEOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000994755232 766714343 /nfs/dbraw/zinc/71/43/43/766714343.db2.gz QNHKEFFGSFFNLW-INIZCTEOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054636 766802176 /nfs/dbraw/zinc/80/21/76/766802176.db2.gz BAIKWWCUIREPRK-MOPGFXCFSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054636 766802187 /nfs/dbraw/zinc/80/21/87/766802187.db2.gz BAIKWWCUIREPRK-MOPGFXCFSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054636 766802199 /nfs/dbraw/zinc/80/21/99/766802199.db2.gz BAIKWWCUIREPRK-MOPGFXCFSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073838 766887434 /nfs/dbraw/zinc/88/74/34/766887434.db2.gz MGINLJLBDCIUPR-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CCC)C3)CC2)CC1 ZINC001046086495 766928455 /nfs/dbraw/zinc/92/84/55/766928455.db2.gz OTUTXNPNLLTYKY-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055643112 769330850 /nfs/dbraw/zinc/33/08/50/769330850.db2.gz VOYYEFOKHVHKBD-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089408665 771088352 /nfs/dbraw/zinc/08/83/52/771088352.db2.gz DOXPIYDIFQHDAA-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089408665 771088357 /nfs/dbraw/zinc/08/83/57/771088357.db2.gz DOXPIYDIFQHDAA-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)CC(C)(C)C1 ZINC001089408665 771088361 /nfs/dbraw/zinc/08/83/61/771088361.db2.gz DOXPIYDIFQHDAA-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)CC(C)(C)C1 ZINC001089408665 771088364 /nfs/dbraw/zinc/08/83/64/771088364.db2.gz DOXPIYDIFQHDAA-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001089585294 771586164 /nfs/dbraw/zinc/58/61/64/771586164.db2.gz YXMKOEUBDLQFKI-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001089585294 771586170 /nfs/dbraw/zinc/58/61/70/771586170.db2.gz YXMKOEUBDLQFKI-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027198 790375949 /nfs/dbraw/zinc/37/59/49/790375949.db2.gz RLEGVHKEJAGLGB-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP CC#CCN1C[C@@H](NC(=O)CN2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027198 790375963 /nfs/dbraw/zinc/37/59/63/790375963.db2.gz RLEGVHKEJAGLGB-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098831 790600519 /nfs/dbraw/zinc/60/05/19/790600519.db2.gz VIEUXDRBDVXWKG-CVEARBPZSA-N 2 1 332.452 0.682 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098831 790600525 /nfs/dbraw/zinc/60/05/25/790600525.db2.gz VIEUXDRBDVXWKG-CVEARBPZSA-N 2 1 332.452 0.682 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289490 783794723 /nfs/dbraw/zinc/79/47/23/783794723.db2.gz FLHKHLDVTDHTJW-ZACQAIPSSA-N 2 1 344.463 0.516 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070433798 784059294 /nfs/dbraw/zinc/05/92/94/784059294.db2.gz DRYPLDBOZUYHIE-GJZGRUSLSA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070433798 784059302 /nfs/dbraw/zinc/05/93/02/784059302.db2.gz DRYPLDBOZUYHIE-GJZGRUSLSA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070433798 784059311 /nfs/dbraw/zinc/05/93/11/784059311.db2.gz DRYPLDBOZUYHIE-GJZGRUSLSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001070494751 784189106 /nfs/dbraw/zinc/18/91/06/784189106.db2.gz GYOGUHHXJKUFEP-CWLKWCNXSA-N 2 1 343.475 0.668 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C(C)C)C1 ZINC001070502534 784199140 /nfs/dbraw/zinc/19/91/40/784199140.db2.gz XEXVMLYOTNIXHU-JQHSSLGASA-N 2 1 343.475 0.810 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]C(C)C)C1 ZINC001070502534 784199142 /nfs/dbraw/zinc/19/91/42/784199142.db2.gz XEXVMLYOTNIXHU-JQHSSLGASA-N 2 1 343.475 0.810 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001070720729 784594435 /nfs/dbraw/zinc/59/44/35/784594435.db2.gz GGSFPHQFNKKCIJ-ZACQAIPSSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227872 784786915 /nfs/dbraw/zinc/78/69/15/784786915.db2.gz LIOOYOYHCHEKKD-QFBILLFUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241492 784816641 /nfs/dbraw/zinc/81/66/41/784816641.db2.gz VZTXJCFEEHXEQY-YJBOKZPZSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241492 784816642 /nfs/dbraw/zinc/81/66/42/784816642.db2.gz VZTXJCFEEHXEQY-YJBOKZPZSA-N 2 1 330.432 0.907 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603969 786754909 /nfs/dbraw/zinc/75/49/09/786754909.db2.gz SWBVYMLKHVDVTQ-INIZCTEOSA-N 2 1 349.479 0.842 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073634206 786828814 /nfs/dbraw/zinc/82/88/14/786828814.db2.gz OIGZUTZCPUSEHO-JKSUJKDBSA-N 2 1 330.432 0.991 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073634206 786828817 /nfs/dbraw/zinc/82/88/17/786828817.db2.gz OIGZUTZCPUSEHO-JKSUJKDBSA-N 2 1 330.432 0.991 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660700 786902264 /nfs/dbraw/zinc/90/22/64/786902264.db2.gz MBLPQKJZFNOHJL-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660700 786902268 /nfs/dbraw/zinc/90/22/68/786902268.db2.gz MBLPQKJZFNOHJL-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660700 786902274 /nfs/dbraw/zinc/90/22/74/786902274.db2.gz MBLPQKJZFNOHJL-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660700 786902278 /nfs/dbraw/zinc/90/22/78/786902278.db2.gz MBLPQKJZFNOHJL-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC#CC)CCCO2)CC1 ZINC001073899591 787475277 /nfs/dbraw/zinc/47/52/77/787475277.db2.gz YDFGWJVCAATGAT-SFHVURJKSA-N 2 1 331.460 0.562 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C)C1=O ZINC001074687838 787599585 /nfs/dbraw/zinc/59/95/85/787599585.db2.gz WZTFOVZEXQLYKD-BHYGNILZSA-N 2 1 348.491 0.837 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C)C1=O ZINC001074746218 787753861 /nfs/dbraw/zinc/75/38/61/787753861.db2.gz ZEJONJVRJIXJKI-JYJNAYRXSA-N 2 1 345.447 0.557 20 30 ECEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)C1 ZINC001069838125 790070320 /nfs/dbraw/zinc/07/03/20/790070320.db2.gz NYEJBOGGKTZZIC-SJORKVTESA-N 2 1 341.459 0.594 20 30 ECEDMP C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417572 835822507 /nfs/dbraw/zinc/82/25/07/835822507.db2.gz BTUYXOWXWDZKHD-OAHLLOKOSA-N 2 1 347.463 0.494 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001266706685 836175125 /nfs/dbraw/zinc/17/51/25/836175125.db2.gz ZLYYUWTUWBVGSE-OAHLLOKOSA-N 2 1 348.451 0.140 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001266706685 836175133 /nfs/dbraw/zinc/17/51/33/836175133.db2.gz ZLYYUWTUWBVGSE-OAHLLOKOSA-N 2 1 348.451 0.140 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001266731094 836211235 /nfs/dbraw/zinc/21/12/35/836211235.db2.gz QXFSGNSRXHTIKW-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(OC)c1 ZINC001266950082 836513778 /nfs/dbraw/zinc/51/37/78/836513778.db2.gz MCBLBBGJDSBIMJ-ZBFHGGJFSA-N 2 1 330.432 0.782 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccnc(OC)c1 ZINC001266950082 836513788 /nfs/dbraw/zinc/51/37/88/836513788.db2.gz MCBLBBGJDSBIMJ-ZBFHGGJFSA-N 2 1 330.432 0.782 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267017144 836627805 /nfs/dbraw/zinc/62/78/05/836627805.db2.gz TTWNYGHXEHWJTO-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=O)NCC#N)CCC1 ZINC001267169696 836900596 /nfs/dbraw/zinc/90/05/96/836900596.db2.gz UXSFUYWBIOPHCO-HNNXBMFYSA-N 2 1 349.479 0.471 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302705 837167744 /nfs/dbraw/zinc/16/77/44/837167744.db2.gz GYCDQUXHYITZPU-SJORKVTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302705 837167749 /nfs/dbraw/zinc/16/77/49/837167749.db2.gz GYCDQUXHYITZPU-SJORKVTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302705 837167755 /nfs/dbraw/zinc/16/77/55/837167755.db2.gz GYCDQUXHYITZPU-SJORKVTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267659266 838179584 /nfs/dbraw/zinc/17/95/84/838179584.db2.gz YGGPXTJECKJTMK-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267659266 838179588 /nfs/dbraw/zinc/17/95/88/838179588.db2.gz YGGPXTJECKJTMK-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267659266 838179590 /nfs/dbraw/zinc/17/95/90/838179590.db2.gz YGGPXTJECKJTMK-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC)C2)CC1 ZINC001267707840 838311447 /nfs/dbraw/zinc/31/14/47/838311447.db2.gz IATNTZYZQKVSRK-INIZCTEOSA-N 2 1 348.491 0.248 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105191689 838743134 /nfs/dbraw/zinc/74/31/34/838743134.db2.gz ALABPMUSYDKYBF-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001268034874 839094548 /nfs/dbraw/zinc/09/45/48/839094548.db2.gz QQYBYLMSOOWDIK-INIZCTEOSA-N 2 1 348.491 0.629 20 30 ECEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268084650 839284810 /nfs/dbraw/zinc/28/48/10/839284810.db2.gz GVARYYFWAUGRFI-HNNXBMFYSA-N 2 1 348.447 0.970 20 30 ECEDMP COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1OC ZINC000264085847 254513494 /nfs/dbraw/zinc/51/34/94/254513494.db2.gz JTAGNZIWOGLOGG-UHFFFAOYSA-N 2 1 336.436 0.830 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000490670690 254882461 /nfs/dbraw/zinc/88/24/61/254882461.db2.gz NVEONOFDIXODKC-QGZVFWFLSA-N 2 1 334.508 0.721 20 30 ECEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000267406188 279150127 /nfs/dbraw/zinc/15/01/27/279150127.db2.gz HDMIIRVLZYDULL-OAHLLOKOSA-N 2 1 326.466 0.582 20 30 ECEDMP C[C@@](C#N)(NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000051957966 436498961 /nfs/dbraw/zinc/49/89/61/436498961.db2.gz NKOBZLYYBPQZDE-SFHVURJKSA-N 2 1 334.464 0.839 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249276514 436817251 /nfs/dbraw/zinc/81/72/51/436817251.db2.gz KBSXBWMLAOTSFC-LSDHHAIUSA-N 2 1 340.468 0.725 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249276514 436817254 /nfs/dbraw/zinc/81/72/54/436817254.db2.gz KBSXBWMLAOTSFC-LSDHHAIUSA-N 2 1 340.468 0.725 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262254655 436918892 /nfs/dbraw/zinc/91/88/92/436918892.db2.gz QLVWEIYDMHBLDT-IRXDYDNUSA-N 2 1 348.491 0.767 20 30 ECEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C#N ZINC000134101913 436892116 /nfs/dbraw/zinc/89/21/16/436892116.db2.gz ISVAPSRZOPSWSC-LLVKDONJSA-N 2 1 336.465 0.809 20 30 ECEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000134101913 436892118 /nfs/dbraw/zinc/89/21/18/436892118.db2.gz ISVAPSRZOPSWSC-LLVKDONJSA-N 2 1 336.465 0.809 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)CC1 ZINC000174370348 437078590 /nfs/dbraw/zinc/07/85/90/437078590.db2.gz OKLGWLBMJHUMTI-HNNXBMFYSA-N 2 1 335.448 0.427 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000286391229 437089599 /nfs/dbraw/zinc/08/95/99/437089599.db2.gz DHHXAVJCUBQHFI-HNNXBMFYSA-N 2 1 348.491 0.910 20 30 ECEDMP CCNC(=O)CN1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000328820129 437267412 /nfs/dbraw/zinc/26/74/12/437267412.db2.gz PXFOKLCUWRBDPI-CQSZACIVSA-N 2 1 342.509 0.934 20 30 ECEDMP CCNC(=O)CN1CCCN(C(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000328820129 437267413 /nfs/dbraw/zinc/26/74/13/437267413.db2.gz PXFOKLCUWRBDPI-CQSZACIVSA-N 2 1 342.509 0.934 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185734599 437448906 /nfs/dbraw/zinc/44/89/06/437448906.db2.gz LTPZBWWXYWPEOP-INIZCTEOSA-N 2 1 337.512 0.962 20 30 ECEDMP CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000330386453 437496800 /nfs/dbraw/zinc/49/68/00/437496800.db2.gz VCTSSZLBQQFFGS-UHFFFAOYSA-N 2 1 325.457 0.185 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340507939 437676781 /nfs/dbraw/zinc/67/67/81/437676781.db2.gz HGLCYXPTCWWRBB-CQSZACIVSA-N 2 1 334.464 0.354 20 30 ECEDMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000591736159 439077315 /nfs/dbraw/zinc/07/73/15/439077315.db2.gz BADWGUIITUBKGD-KRWDZBQOSA-N 2 1 329.448 0.967 20 30 ECEDMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000591736159 439077319 /nfs/dbraw/zinc/07/73/19/439077319.db2.gz BADWGUIITUBKGD-KRWDZBQOSA-N 2 1 329.448 0.967 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491565878 439407713 /nfs/dbraw/zinc/40/77/13/439407713.db2.gz CWCAUEPGEKYQBN-MSOLQXFVSA-N 2 1 329.444 0.599 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491565878 439407716 /nfs/dbraw/zinc/40/77/16/439407716.db2.gz CWCAUEPGEKYQBN-MSOLQXFVSA-N 2 1 329.444 0.599 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000491565883 439407998 /nfs/dbraw/zinc/40/79/98/439407998.db2.gz CWCAUEPGEKYQBN-ZWKOTPCHSA-N 2 1 329.444 0.599 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000491565883 439408005 /nfs/dbraw/zinc/40/80/05/439408005.db2.gz CWCAUEPGEKYQBN-ZWKOTPCHSA-N 2 1 329.444 0.599 20 30 ECEDMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000564035680 322358657 /nfs/dbraw/zinc/35/86/57/322358657.db2.gz YSMXTVDVDHVUNI-IBGZPJMESA-N 2 1 346.475 0.615 20 30 ECEDMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000564035680 322358659 /nfs/dbraw/zinc/35/86/59/322358659.db2.gz YSMXTVDVDHVUNI-IBGZPJMESA-N 2 1 346.475 0.615 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000754538060 579419934 /nfs/dbraw/zinc/41/99/34/579419934.db2.gz JQMLIOCPKSKMDJ-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000754538060 579419935 /nfs/dbraw/zinc/41/99/35/579419935.db2.gz JQMLIOCPKSKMDJ-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799178196 578660615 /nfs/dbraw/zinc/66/06/15/578660615.db2.gz HNEPEVADXFZJAH-UHFFFAOYSA-N 2 1 332.492 0.572 20 30 ECEDMP N#CC1(C[C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCC1 ZINC000886102794 590797732 /nfs/dbraw/zinc/79/77/32/590797732.db2.gz QPTDCQCYKVPFRL-INIZCTEOSA-N 2 1 337.464 0.590 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000890371608 591155042 /nfs/dbraw/zinc/15/50/42/591155042.db2.gz ZCHOMGDKTMRIRW-IRXDYDNUSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000890371608 591155043 /nfs/dbraw/zinc/15/50/43/591155043.db2.gz ZCHOMGDKTMRIRW-IRXDYDNUSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000930492436 611435512 /nfs/dbraw/zinc/43/55/12/611435512.db2.gz XTFGDLSVFZNWCM-RHSMWYFYSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000948449905 611601780 /nfs/dbraw/zinc/60/17/80/611601780.db2.gz YBOVKKNDROCMMM-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000948449905 611601782 /nfs/dbraw/zinc/60/17/82/611601782.db2.gz YBOVKKNDROCMMM-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000948449905 611601784 /nfs/dbraw/zinc/60/17/84/611601784.db2.gz YBOVKKNDROCMMM-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000948449905 611601785 /nfs/dbraw/zinc/60/17/85/611601785.db2.gz YBOVKKNDROCMMM-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000938224573 609552428 /nfs/dbraw/zinc/55/24/28/609552428.db2.gz VLUVAXSHIHVZSW-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000938224573 609552431 /nfs/dbraw/zinc/55/24/31/609552431.db2.gz VLUVAXSHIHVZSW-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000938224573 609552434 /nfs/dbraw/zinc/55/24/34/609552434.db2.gz VLUVAXSHIHVZSW-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000938224573 609552436 /nfs/dbraw/zinc/55/24/36/609552436.db2.gz VLUVAXSHIHVZSW-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431926 610312615 /nfs/dbraw/zinc/31/26/15/610312615.db2.gz WOZVOZWPADSUGS-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431926 610312617 /nfs/dbraw/zinc/31/26/17/610312617.db2.gz WOZVOZWPADSUGS-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000950429174 612015798 /nfs/dbraw/zinc/01/57/98/612015798.db2.gz ZBSUDTGFAVMILX-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000951549413 612335743 /nfs/dbraw/zinc/33/57/43/612335743.db2.gz QXRGMDFWBNXUOD-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951549413 612335746 /nfs/dbraw/zinc/33/57/46/612335746.db2.gz QXRGMDFWBNXUOD-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951549413 612335751 /nfs/dbraw/zinc/33/57/51/612335751.db2.gz QXRGMDFWBNXUOD-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951549413 612335757 /nfs/dbraw/zinc/33/57/57/612335757.db2.gz QXRGMDFWBNXUOD-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001024987888 738462506 /nfs/dbraw/zinc/46/25/06/738462506.db2.gz ZGHXVTARHASSHE-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001024987888 738462508 /nfs/dbraw/zinc/46/25/08/738462508.db2.gz ZGHXVTARHASSHE-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001078085784 782280516 /nfs/dbraw/zinc/28/05/16/782280516.db2.gz ZZDLIDDVCLCFNU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001078085784 782280525 /nfs/dbraw/zinc/28/05/25/782280525.db2.gz ZZDLIDDVCLCFNU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136118 733085923 /nfs/dbraw/zinc/08/59/23/733085923.db2.gz KHNOIHGPUOIKGM-KBAYOESNSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136118 733085927 /nfs/dbraw/zinc/08/59/27/733085927.db2.gz KHNOIHGPUOIKGM-KBAYOESNSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136118 733085932 /nfs/dbraw/zinc/08/59/32/733085932.db2.gz KHNOIHGPUOIKGM-KBAYOESNSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001039136118 733085937 /nfs/dbraw/zinc/08/59/37/733085937.db2.gz KHNOIHGPUOIKGM-KBAYOESNSA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540549 733854034 /nfs/dbraw/zinc/85/40/34/733854034.db2.gz SKCICUSMFSPVAJ-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540549 733854036 /nfs/dbraw/zinc/85/40/36/733854036.db2.gz SKCICUSMFSPVAJ-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3CC)C2)CC1 ZINC000970792313 733943190 /nfs/dbraw/zinc/94/31/90/733943190.db2.gz IXJHIYKDXSKIJH-MRXNPFEDSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC000971703678 734965257 /nfs/dbraw/zinc/96/52/57/734965257.db2.gz LBCFZYQNNSNWGZ-IRXDYDNUSA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC000971703678 734965259 /nfs/dbraw/zinc/96/52/59/734965259.db2.gz LBCFZYQNNSNWGZ-IRXDYDNUSA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCn2cccn2)C1 ZINC000971703678 734965262 /nfs/dbraw/zinc/96/52/62/734965262.db2.gz LBCFZYQNNSNWGZ-IRXDYDNUSA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCn2cccn2)C1 ZINC000971703678 734965264 /nfs/dbraw/zinc/96/52/64/734965264.db2.gz LBCFZYQNNSNWGZ-IRXDYDNUSA-N 2 1 329.448 0.513 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167636310 736188307 /nfs/dbraw/zinc/18/83/07/736188307.db2.gz RRVWWLNYAFVWTH-JKSUJKDBSA-N 2 1 336.480 0.483 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001023421651 736809164 /nfs/dbraw/zinc/80/91/64/736809164.db2.gz FXTMETCIWXYZAQ-ROUUACIJSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC001023421651 736809167 /nfs/dbraw/zinc/80/91/67/736809167.db2.gz FXTMETCIWXYZAQ-ROUUACIJSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001023421651 736809171 /nfs/dbraw/zinc/80/91/71/736809171.db2.gz FXTMETCIWXYZAQ-ROUUACIJSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC001023421651 736809173 /nfs/dbraw/zinc/80/91/73/736809173.db2.gz FXTMETCIWXYZAQ-ROUUACIJSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC001023421651 736809177 /nfs/dbraw/zinc/80/91/77/736809177.db2.gz FXTMETCIWXYZAQ-ROUUACIJSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500032 736924437 /nfs/dbraw/zinc/92/44/37/736924437.db2.gz OSPPWTZFWDNPAX-FXQQTDPRSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500032 736924440 /nfs/dbraw/zinc/92/44/40/736924440.db2.gz OSPPWTZFWDNPAX-FXQQTDPRSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500032 736924443 /nfs/dbraw/zinc/92/44/43/736924443.db2.gz OSPPWTZFWDNPAX-FXQQTDPRSA-N 2 1 331.460 0.701 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734983 737570019 /nfs/dbraw/zinc/57/00/19/737570019.db2.gz IOOSMIOZESUEAX-HZPDHXFCSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001024021445 737626081 /nfs/dbraw/zinc/62/60/81/737626081.db2.gz DNXGJFZEOWOVSY-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001024021445 737626085 /nfs/dbraw/zinc/62/60/85/737626085.db2.gz DNXGJFZEOWOVSY-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554257 739714415 /nfs/dbraw/zinc/71/44/15/739714415.db2.gz AHFSGCXMKVTIHX-HZPDHXFCSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629555 739794572 /nfs/dbraw/zinc/79/45/72/739794572.db2.gz IIOURKYKNMKMFN-SJLPKXTDSA-N 2 1 335.492 0.931 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001025820292 740007723 /nfs/dbraw/zinc/00/77/23/740007723.db2.gz JUYGZIHJZNSZIY-JJTUDDRGSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001025820292 740007726 /nfs/dbraw/zinc/00/77/26/740007726.db2.gz JUYGZIHJZNSZIY-JJTUDDRGSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001025820292 740007728 /nfs/dbraw/zinc/00/77/28/740007728.db2.gz JUYGZIHJZNSZIY-JJTUDDRGSA-N 2 1 346.475 0.304 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327218 741812703 /nfs/dbraw/zinc/81/27/03/741812703.db2.gz WUSIJLCUTBBUSJ-CQSZACIVSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826147 742225079 /nfs/dbraw/zinc/22/50/79/742225079.db2.gz NPIUJHADHRAABH-IOSXPMGOSA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826147 742225080 /nfs/dbraw/zinc/22/50/80/742225080.db2.gz NPIUJHADHRAABH-IOSXPMGOSA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826147 742225082 /nfs/dbraw/zinc/22/50/82/742225082.db2.gz NPIUJHADHRAABH-IOSXPMGOSA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826146 742225137 /nfs/dbraw/zinc/22/51/37/742225137.db2.gz NPIUJHADHRAABH-BWRBCVJASA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826146 742225138 /nfs/dbraw/zinc/22/51/38/742225138.db2.gz NPIUJHADHRAABH-BWRBCVJASA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826146 742225139 /nfs/dbraw/zinc/22/51/39/742225139.db2.gz NPIUJHADHRAABH-BWRBCVJASA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997691608 743756214 /nfs/dbraw/zinc/75/62/14/743756214.db2.gz KOWHSWZUTLJOBY-CKXIEVRYSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998928548 744411079 /nfs/dbraw/zinc/41/10/79/744411079.db2.gz NPQBFFMRPQHINI-ABHNRTSZSA-N 2 1 343.475 0.639 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998928548 744411083 /nfs/dbraw/zinc/41/10/83/744411083.db2.gz NPQBFFMRPQHINI-ABHNRTSZSA-N 2 1 343.475 0.639 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044561 745225048 /nfs/dbraw/zinc/22/50/48/745225048.db2.gz WOGOAZRFGSOLGZ-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044561 745225050 /nfs/dbraw/zinc/22/50/50/745225050.db2.gz WOGOAZRFGSOLGZ-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044561 745225057 /nfs/dbraw/zinc/22/50/57/745225057.db2.gz WOGOAZRFGSOLGZ-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044562 745225244 /nfs/dbraw/zinc/22/52/44/745225244.db2.gz WOGOAZRFGSOLGZ-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044562 745225250 /nfs/dbraw/zinc/22/52/50/745225250.db2.gz WOGOAZRFGSOLGZ-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044562 745225256 /nfs/dbraw/zinc/22/52/56/745225256.db2.gz WOGOAZRFGSOLGZ-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC000983903281 745481983 /nfs/dbraw/zinc/48/19/83/745481983.db2.gz CAZJDGCNNVNXHP-BQFCYCMXSA-N 2 1 343.475 0.811 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC000983903281 745481986 /nfs/dbraw/zinc/48/19/86/745481986.db2.gz CAZJDGCNNVNXHP-BQFCYCMXSA-N 2 1 343.475 0.811 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2CC)C1 ZINC000983906000 745487488 /nfs/dbraw/zinc/48/74/88/745487488.db2.gz PJUSDTADCUBYLR-ZOBUZTSGSA-N 2 1 344.463 0.380 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2CC)C1 ZINC000983906000 745487492 /nfs/dbraw/zinc/48/74/92/745487492.db2.gz PJUSDTADCUBYLR-ZOBUZTSGSA-N 2 1 344.463 0.380 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC000984047153 745733967 /nfs/dbraw/zinc/73/39/67/745733967.db2.gz HNOMGZNYDPQPPA-QBPKDAKJSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000978282596 746145164 /nfs/dbraw/zinc/14/51/64/746145164.db2.gz OOLDBCNUEYRQIO-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000978282596 746145165 /nfs/dbraw/zinc/14/51/65/746145165.db2.gz OOLDBCNUEYRQIO-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC000978282596 746145166 /nfs/dbraw/zinc/14/51/66/746145166.db2.gz OOLDBCNUEYRQIO-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC000978282596 746145167 /nfs/dbraw/zinc/14/51/67/746145167.db2.gz OOLDBCNUEYRQIO-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+]([C@H](C)C(=O)NC)CC2)CC1 ZINC001001472635 746413623 /nfs/dbraw/zinc/41/36/23/746413623.db2.gz TUDGPVCJFZDMKF-OAHLLOKOSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@H](C)C(=O)NC)CC2)CC1 ZINC001001472635 746413626 /nfs/dbraw/zinc/41/36/26/746413626.db2.gz TUDGPVCJFZDMKF-OAHLLOKOSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@H](CC)C(N)=O)CC2)CC1 ZINC001001473205 746414112 /nfs/dbraw/zinc/41/41/12/746414112.db2.gz YHJGTAGWOWMYHD-QGZVFWFLSA-N 2 1 346.475 0.344 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cncn2C)C1 ZINC001029757442 748267505 /nfs/dbraw/zinc/26/75/05/748267505.db2.gz BLWZZRFOUNETNU-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cncn2C)C1 ZINC001029757442 748267508 /nfs/dbraw/zinc/26/75/08/748267508.db2.gz BLWZZRFOUNETNU-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cncn2C)C1 ZINC001029757442 748267514 /nfs/dbraw/zinc/26/75/14/748267514.db2.gz BLWZZRFOUNETNU-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cncn2C)C1 ZINC001029757442 748267518 /nfs/dbraw/zinc/26/75/18/748267518.db2.gz BLWZZRFOUNETNU-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973851 749096413 /nfs/dbraw/zinc/09/64/13/749096413.db2.gz GQXZFOXEMWEJLA-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)[C@H]2C)CC1 ZINC000987566869 750969246 /nfs/dbraw/zinc/96/92/46/750969246.db2.gz CFDKQJFALGUWSD-PBHICJAKSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)[C@H]2C)CC1 ZINC000987569925 750972150 /nfs/dbraw/zinc/97/21/50/750972150.db2.gz JEZYSQRSTLVOEU-PBHICJAKSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)[C@@H]2C)CC1 ZINC000987574553 750975954 /nfs/dbraw/zinc/97/59/54/750975954.db2.gz FHMQKXSSTWNDFD-HOCLYGCPSA-N 2 1 345.447 0.802 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118096 751005300 /nfs/dbraw/zinc/00/53/00/751005300.db2.gz WPIUDCAFCXGZQQ-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118093 751005988 /nfs/dbraw/zinc/00/59/88/751005988.db2.gz WPIUDCAFCXGZQQ-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645262 752657705 /nfs/dbraw/zinc/65/77/05/752657705.db2.gz IJUWADRCKDCDFX-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372620 753672190 /nfs/dbraw/zinc/67/21/90/753672190.db2.gz PWWOZQZDURFJHS-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372442 753677222 /nfs/dbraw/zinc/67/72/22/753677222.db2.gz HFPDFQDDBGLYNK-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685179 753763267 /nfs/dbraw/zinc/76/32/67/753763267.db2.gz ASTPHTANERSXCT-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685179 753763272 /nfs/dbraw/zinc/76/32/72/753763272.db2.gz ASTPHTANERSXCT-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](C[C@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831361 753886021 /nfs/dbraw/zinc/88/60/21/753886021.db2.gz KGMORPASNGMQHJ-FFZOFVMBSA-N 2 1 347.503 0.883 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001028603695 753900242 /nfs/dbraw/zinc/90/02/42/753900242.db2.gz HMPSTMFZWOVNLV-AEFFLSMTSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001028603695 753900248 /nfs/dbraw/zinc/90/02/48/753900248.db2.gz HMPSTMFZWOVNLV-AEFFLSMTSA-N 2 1 343.475 0.939 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218315 754667575 /nfs/dbraw/zinc/66/75/75/754667575.db2.gz BKXUCIZUEYSVGX-HOTGVXAUSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218315 754667577 /nfs/dbraw/zinc/66/75/77/754667577.db2.gz BKXUCIZUEYSVGX-HOTGVXAUSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000990276875 754931879 /nfs/dbraw/zinc/93/18/79/754931879.db2.gz KIALTURXORHZRV-HZPDHXFCSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625594 755084193 /nfs/dbraw/zinc/08/41/93/755084193.db2.gz FONRNUHSWLYQFN-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625594 755084194 /nfs/dbraw/zinc/08/41/94/755084194.db2.gz FONRNUHSWLYQFN-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470133 755279039 /nfs/dbraw/zinc/27/90/39/755279039.db2.gz AXKFRTVCYPZYTM-CVEARBPZSA-N 2 1 335.452 0.186 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833675 757139171 /nfs/dbraw/zinc/13/91/71/757139171.db2.gz RRQTZZHAGOAPNQ-QKPAOTATSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833675 757139176 /nfs/dbraw/zinc/13/91/76/757139176.db2.gz RRQTZZHAGOAPNQ-QKPAOTATSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833675 757139180 /nfs/dbraw/zinc/13/91/80/757139180.db2.gz RRQTZZHAGOAPNQ-QKPAOTATSA-N 2 1 339.867 0.992 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869873 757237136 /nfs/dbraw/zinc/23/71/36/757237136.db2.gz GJUPZJTYVYJUDY-FJIDUMEYSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869873 757237143 /nfs/dbraw/zinc/23/71/43/757237143.db2.gz GJUPZJTYVYJUDY-FJIDUMEYSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869873 757237150 /nfs/dbraw/zinc/23/71/50/757237150.db2.gz GJUPZJTYVYJUDY-FJIDUMEYSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869873 757237155 /nfs/dbraw/zinc/23/71/55/757237155.db2.gz GJUPZJTYVYJUDY-FJIDUMEYSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@H]32)CC1 ZINC001021738724 757887953 /nfs/dbraw/zinc/88/79/53/757887953.db2.gz CVDGVNHFSIXPGZ-QZTJIDSGSA-N 2 1 333.476 0.637 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)C1=O ZINC001049212308 758323898 /nfs/dbraw/zinc/32/38/98/758323898.db2.gz AVKAEWUBZIXQPA-NXOAAHMSSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212308 758323908 /nfs/dbraw/zinc/32/39/08/758323908.db2.gz AVKAEWUBZIXQPA-NXOAAHMSSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212308 758323915 /nfs/dbraw/zinc/32/39/15/758323915.db2.gz AVKAEWUBZIXQPA-NXOAAHMSSA-N 2 1 346.475 0.115 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000996683560 758463814 /nfs/dbraw/zinc/46/38/14/758463814.db2.gz DTSYYMLTSPQXOX-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000996683560 758463816 /nfs/dbraw/zinc/46/38/16/758463816.db2.gz DTSYYMLTSPQXOX-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC001127779292 758645611 /nfs/dbraw/zinc/64/56/11/758645611.db2.gz KXDBRWLHNXPNOS-DOTOQJQBSA-N 2 1 346.406 0.766 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781209 759197210 /nfs/dbraw/zinc/19/72/10/759197210.db2.gz KZPHIFDTNUTHGX-IAGOWNOFSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107035854 759459176 /nfs/dbraw/zinc/45/91/76/759459176.db2.gz BHCKHKYCUMUXTB-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099347 759700447 /nfs/dbraw/zinc/70/04/47/759700447.db2.gz BHOADEAQDGDBDS-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099347 759700451 /nfs/dbraw/zinc/70/04/51/759700451.db2.gz BHOADEAQDGDBDS-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099347 759700453 /nfs/dbraw/zinc/70/04/53/759700453.db2.gz BHOADEAQDGDBDS-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598651 760551522 /nfs/dbraw/zinc/55/15/22/760551522.db2.gz NZRITNWDKXCBLO-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001046849855 763228535 /nfs/dbraw/zinc/22/85/35/763228535.db2.gz KFFLELLHYYOWRQ-LJQANCHMSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001046849855 763228540 /nfs/dbraw/zinc/22/85/40/763228540.db2.gz KFFLELLHYYOWRQ-LJQANCHMSA-N 2 1 343.475 0.846 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310589 768134849 /nfs/dbraw/zinc/13/48/49/768134849.db2.gz UGRISLZGZWGUJW-QBPKDAKJSA-N 2 1 339.480 0.592 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310589 768134852 /nfs/dbraw/zinc/13/48/52/768134852.db2.gz UGRISLZGZWGUJW-QBPKDAKJSA-N 2 1 339.480 0.592 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)CC1 ZINC001052121440 763942353 /nfs/dbraw/zinc/94/23/53/763942353.db2.gz BAQFKNMFBKPZMP-LJQANCHMSA-N 2 1 342.487 0.183 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428760 764318123 /nfs/dbraw/zinc/31/81/23/764318123.db2.gz NSYGWFVLSZLAAS-FXUDXRNXSA-N 2 1 325.453 0.175 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428760 764318127 /nfs/dbraw/zinc/31/81/27/764318127.db2.gz NSYGWFVLSZLAAS-FXUDXRNXSA-N 2 1 325.453 0.175 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428760 764318137 /nfs/dbraw/zinc/31/81/37/764318137.db2.gz NSYGWFVLSZLAAS-FXUDXRNXSA-N 2 1 325.453 0.175 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428760 764318140 /nfs/dbraw/zinc/31/81/40/764318140.db2.gz NSYGWFVLSZLAAS-FXUDXRNXSA-N 2 1 325.453 0.175 20 30 ECEDMP CN(C(=O)CN1CCCC1)[C@H]1CN(Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627322 764923154 /nfs/dbraw/zinc/92/31/54/764923154.db2.gz NTTWPVAAPZYONI-HOTGVXAUSA-N 2 1 348.472 0.719 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001052959010 765415340 /nfs/dbraw/zinc/41/53/40/765415340.db2.gz QFTVURMYHCCAJE-DLBZAZTESA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431636 768299496 /nfs/dbraw/zinc/29/94/96/768299496.db2.gz HXLUPWLCYAWIFO-UKRRQHHQSA-N 2 1 333.436 0.178 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000994750696 766687166 /nfs/dbraw/zinc/68/71/66/766687166.db2.gz BPTCTNBORUJHSF-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000994750696 766687172 /nfs/dbraw/zinc/68/71/72/766687172.db2.gz BPTCTNBORUJHSF-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000994750696 766687179 /nfs/dbraw/zinc/68/71/79/766687179.db2.gz BPTCTNBORUJHSF-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000994750696 766687186 /nfs/dbraw/zinc/68/71/86/766687186.db2.gz BPTCTNBORUJHSF-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000994754991 766709926 /nfs/dbraw/zinc/70/99/26/766709926.db2.gz PIPGTADKNSDACX-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000994754991 766709930 /nfs/dbraw/zinc/70/99/30/766709930.db2.gz PIPGTADKNSDACX-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000994754991 766709934 /nfs/dbraw/zinc/70/99/34/766709934.db2.gz PIPGTADKNSDACX-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000994754991 766709940 /nfs/dbraw/zinc/70/99/40/766709940.db2.gz PIPGTADKNSDACX-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035790 766722466 /nfs/dbraw/zinc/72/24/66/766722466.db2.gz SRMPLMDWDNITSY-RTBURBONSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035790 766722477 /nfs/dbraw/zinc/72/24/77/766722477.db2.gz SRMPLMDWDNITSY-RTBURBONSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035790 766722482 /nfs/dbraw/zinc/72/24/82/766722482.db2.gz SRMPLMDWDNITSY-RTBURBONSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054258 766799524 /nfs/dbraw/zinc/79/95/24/766799524.db2.gz KCVUMXIBNPGDJS-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054258 766799529 /nfs/dbraw/zinc/79/95/29/766799529.db2.gz KCVUMXIBNPGDJS-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054258 766799533 /nfs/dbraw/zinc/79/95/33/766799533.db2.gz KCVUMXIBNPGDJS-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046059461 766821833 /nfs/dbraw/zinc/82/18/33/766821833.db2.gz HTIAWWJGQCIXEF-ZWKOTPCHSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144723 767740023 /nfs/dbraw/zinc/74/00/23/767740023.db2.gz CNDIWGKDSGDNOC-PKOBYXMFSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144723 767740024 /nfs/dbraw/zinc/74/00/24/767740024.db2.gz CNDIWGKDSGDNOC-PKOBYXMFSA-N 2 1 343.475 0.761 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001055538936 769053486 /nfs/dbraw/zinc/05/34/86/769053486.db2.gz PFLGLZWAJZQMAF-UHFFFAOYSA-N 2 1 338.496 0.991 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578261 769172582 /nfs/dbraw/zinc/17/25/82/769172582.db2.gz KSPBEKYXMLXPFO-MRXNPFEDSA-N 2 1 346.475 0.048 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055632211 769306481 /nfs/dbraw/zinc/30/64/81/769306481.db2.gz QTNBPYUOUUGPTH-AWEZNQCLSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027082 790376325 /nfs/dbraw/zinc/37/63/25/790376325.db2.gz QYZASOLFPYJHMJ-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027082 790376338 /nfs/dbraw/zinc/37/63/38/790376338.db2.gz QYZASOLFPYJHMJ-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027082 790376351 /nfs/dbraw/zinc/37/63/51/790376351.db2.gz QYZASOLFPYJHMJ-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027082 790376363 /nfs/dbraw/zinc/37/63/63/790376363.db2.gz QYZASOLFPYJHMJ-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639934 775947198 /nfs/dbraw/zinc/94/71/98/775947198.db2.gz VPEUWJMTTLVBEG-CVEARBPZSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046509 790442654 /nfs/dbraw/zinc/44/26/54/790442654.db2.gz AOHLFAVSIUNSST-SJORKVTESA-N 2 1 344.463 0.375 20 30 ECEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079146879 780813725 /nfs/dbraw/zinc/81/37/25/780813725.db2.gz MIJHQIAAWWISMT-GUDVDZBRSA-N 2 1 341.455 0.645 20 30 ECEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146879 780813735 /nfs/dbraw/zinc/81/37/35/780813735.db2.gz MIJHQIAAWWISMT-GUDVDZBRSA-N 2 1 341.455 0.645 20 30 ECEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146879 780813751 /nfs/dbraw/zinc/81/37/51/780813751.db2.gz MIJHQIAAWWISMT-GUDVDZBRSA-N 2 1 341.455 0.645 20 30 ECEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146879 780813764 /nfs/dbraw/zinc/81/37/64/780813764.db2.gz MIJHQIAAWWISMT-GUDVDZBRSA-N 2 1 341.455 0.645 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212915 783669380 /nfs/dbraw/zinc/66/93/80/783669380.db2.gz XNDQSJVKIROABE-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326950 783832450 /nfs/dbraw/zinc/83/24/50/783832450.db2.gz LBFKOCNWVIBRBP-MJBXVCDLSA-N 2 1 338.843 0.324 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326950 783832454 /nfs/dbraw/zinc/83/24/54/783832454.db2.gz LBFKOCNWVIBRBP-MJBXVCDLSA-N 2 1 338.843 0.324 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001070409647 783997500 /nfs/dbraw/zinc/99/75/00/783997500.db2.gz IZLJNUDSBUIFDV-RDJZCZTQSA-N 2 1 341.459 0.790 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534582 784239493 /nfs/dbraw/zinc/23/94/93/784239493.db2.gz BIPBDXHPLFENMJ-HLLBOEOZSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001070563683 784280602 /nfs/dbraw/zinc/28/06/02/784280602.db2.gz GSQFHJPKNDDFJU-GOEBONIOSA-N 2 1 326.404 0.142 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020824 784441370 /nfs/dbraw/zinc/44/13/70/784441370.db2.gz XBFOKCBPJQHKES-UHFFFAOYSA-N 2 1 336.480 0.699 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071225681 784783350 /nfs/dbraw/zinc/78/33/50/784783350.db2.gz NUDIITXRIWCNRS-QFBILLFUSA-N 2 1 349.475 0.422 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660656 786903060 /nfs/dbraw/zinc/90/30/60/786903060.db2.gz KXGQZPCLFGTNDR-BRWVUGGUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660656 786903067 /nfs/dbraw/zinc/90/30/67/786903067.db2.gz KXGQZPCLFGTNDR-BRWVUGGUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660656 786903073 /nfs/dbraw/zinc/90/30/73/786903073.db2.gz KXGQZPCLFGTNDR-BRWVUGGUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660656 786903077 /nfs/dbraw/zinc/90/30/77/786903077.db2.gz KXGQZPCLFGTNDR-BRWVUGGUSA-N 2 1 339.480 0.879 20 30 ECEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001072853077 788965676 /nfs/dbraw/zinc/96/56/76/788965676.db2.gz ZBRXUURRYCAOIV-UHFFFAOYSA-N 2 1 333.476 0.902 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072991502 789238460 /nfs/dbraw/zinc/23/84/60/789238460.db2.gz WFZXRXOBAKOVTN-HOTGVXAUSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942212 790218378 /nfs/dbraw/zinc/21/83/78/790218378.db2.gz RPCBIWAKQGAWCR-ZACQAIPSSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942212 790218382 /nfs/dbraw/zinc/21/83/82/790218382.db2.gz RPCBIWAKQGAWCR-ZACQAIPSSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942212 790218387 /nfs/dbraw/zinc/21/83/87/790218387.db2.gz RPCBIWAKQGAWCR-ZACQAIPSSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942212 790218391 /nfs/dbraw/zinc/21/83/91/790218391.db2.gz RPCBIWAKQGAWCR-ZACQAIPSSA-N 2 1 344.463 0.517 20 30 ECEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276090 837802245 /nfs/dbraw/zinc/80/22/45/837802245.db2.gz LXOHVZNSBFGAFQ-IXDOHACOSA-N 2 1 337.464 0.442 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276090 837802260 /nfs/dbraw/zinc/80/22/60/837802260.db2.gz LXOHVZNSBFGAFQ-IXDOHACOSA-N 2 1 337.464 0.442 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001266731093 836211021 /nfs/dbraw/zinc/21/10/21/836211021.db2.gz QXFSGNSRXHTIKW-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758116 836255430 /nfs/dbraw/zinc/25/54/30/836255430.db2.gz NYUGNGXOMAQGQI-HOTGVXAUSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267044613 836671457 /nfs/dbraw/zinc/67/14/57/836671457.db2.gz KFZNLJNHQPCXCC-CABCVRRESA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274068 837116526 /nfs/dbraw/zinc/11/65/26/837116526.db2.gz KJSKINQOKKVWGY-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274068 837116534 /nfs/dbraw/zinc/11/65/34/837116534.db2.gz KJSKINQOKKVWGY-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCNC(=O)CN1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267633079 838099446 /nfs/dbraw/zinc/09/94/46/838099446.db2.gz ZXKNGVJLHXNPPF-INIZCTEOSA-N 2 1 347.463 0.855 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267967277 838886051 /nfs/dbraw/zinc/88/60/51/838886051.db2.gz ZNWHPEQXNAAFCB-MRXNPFEDSA-N 2 1 338.496 0.943 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267967277 838886067 /nfs/dbraw/zinc/88/60/67/838886067.db2.gz ZNWHPEQXNAAFCB-MRXNPFEDSA-N 2 1 338.496 0.943 20 30 ECEDMP C[NH2+]CCCc1[nH]nc(NC(=O)CCCC[NH+]2CCOCC2)c1C#N ZINC000530424532 267347729 /nfs/dbraw/zinc/34/77/29/267347729.db2.gz JARSUEFENCMTRK-UHFFFAOYSA-N 2 1 348.451 0.874 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262026516 436901173 /nfs/dbraw/zinc/90/11/73/436901173.db2.gz ZUSRNQCNFUAIOG-OAHLLOKOSA-N 2 1 340.903 0.932 20 30 ECEDMP CCOCCCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000170911975 436961371 /nfs/dbraw/zinc/96/13/71/436961371.db2.gz PNQJWOMVCPFKPW-UHFFFAOYSA-N 2 1 334.468 0.664 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000264081573 437015933 /nfs/dbraw/zinc/01/59/33/437015933.db2.gz IOKJMLQSJSJLTB-INIZCTEOSA-N 2 1 346.479 0.807 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1F ZINC000264082270 437015983 /nfs/dbraw/zinc/01/59/83/437015983.db2.gz HSMVTIKKVRUVSU-CYBMUJFWSA-N 2 1 335.427 0.944 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000267395272 437328616 /nfs/dbraw/zinc/32/86/16/437328616.db2.gz DYIMGNDFHJLMDP-AWEZNQCLSA-N 2 1 335.452 0.354 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000290618618 437506006 /nfs/dbraw/zinc/50/60/06/437506006.db2.gz KGLBJKVSHBWIIK-MJGOQNOKSA-N 2 1 346.475 0.779 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000343770568 437651600 /nfs/dbraw/zinc/65/16/00/437651600.db2.gz VBMSPACFZDGPPQ-UHFFFAOYSA-N 2 1 347.463 0.807 20 30 ECEDMP COC(=O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000341878518 437919730 /nfs/dbraw/zinc/91/97/30/437919730.db2.gz VICBEAIVLVBMJM-HZPDHXFCSA-N 2 1 336.432 0.760 20 30 ECEDMP COC(=O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000341878518 437919735 /nfs/dbraw/zinc/91/97/35/437919735.db2.gz VICBEAIVLVBMJM-HZPDHXFCSA-N 2 1 336.432 0.760 20 30 ECEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000518171999 438989027 /nfs/dbraw/zinc/98/90/27/438989027.db2.gz LPGPGOIECNMUQW-OALUTQOASA-N 2 1 346.475 0.549 20 30 ECEDMP C#CC[N@@H+](C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000491624987 439415587 /nfs/dbraw/zinc/41/55/87/439415587.db2.gz HOIVTQFTSCSHDQ-HNNXBMFYSA-N 2 1 349.479 0.822 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000491661987 439422699 /nfs/dbraw/zinc/42/26/99/439422699.db2.gz GKIRWLKSTJICRQ-DLBZAZTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000491661987 439422704 /nfs/dbraw/zinc/42/27/04/439422704.db2.gz GKIRWLKSTJICRQ-DLBZAZTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000491743996 439438787 /nfs/dbraw/zinc/43/87/87/439438787.db2.gz NFRULUZUYFHGCB-KRWDZBQOSA-N 2 1 337.512 0.514 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000491743996 439438793 /nfs/dbraw/zinc/43/87/93/439438793.db2.gz NFRULUZUYFHGCB-KRWDZBQOSA-N 2 1 337.512 0.514 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000491743996 439438797 /nfs/dbraw/zinc/43/87/97/439438797.db2.gz NFRULUZUYFHGCB-KRWDZBQOSA-N 2 1 337.512 0.514 20 30 ECEDMP C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000644935782 440718759 /nfs/dbraw/zinc/71/87/59/440718759.db2.gz BZZRPGNESZGVQD-CQSZACIVSA-N 2 1 347.467 0.432 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000900685976 586656021 /nfs/dbraw/zinc/65/60/21/586656021.db2.gz WYZRIRAICFBNSP-UHFFFAOYSA-N 2 1 336.480 0.651 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000900685976 586656022 /nfs/dbraw/zinc/65/60/22/586656022.db2.gz WYZRIRAICFBNSP-UHFFFAOYSA-N 2 1 336.480 0.651 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000900967716 586679981 /nfs/dbraw/zinc/67/99/81/586679981.db2.gz OHXPRCSWKUTISH-AWEZNQCLSA-N 2 1 331.482 0.072 20 30 ECEDMP C#CCN1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000847489177 589251210 /nfs/dbraw/zinc/25/12/10/589251210.db2.gz LCEWRIRTPOPOTR-UHFFFAOYSA-N 2 1 346.519 0.960 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849111375 589320855 /nfs/dbraw/zinc/32/08/55/589320855.db2.gz ZAYGOAOHFWIJHV-OAHLLOKOSA-N 2 1 325.501 0.604 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C2 ZINC000884219949 590779309 /nfs/dbraw/zinc/77/93/09/590779309.db2.gz BKLIRPOUXMOYBB-RVKOJVRFSA-N 2 1 346.475 0.885 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000104168045 591052712 /nfs/dbraw/zinc/05/27/12/591052712.db2.gz OCLGWAYMKOHLQI-HOTGVXAUSA-N 2 1 325.501 0.604 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2CC1 ZINC000946628457 611373766 /nfs/dbraw/zinc/37/37/66/611373766.db2.gz RJIAYXWMMLJGOJ-BBWFWOEESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1 ZINC000946628457 611373769 /nfs/dbraw/zinc/37/37/69/611373769.db2.gz RJIAYXWMMLJGOJ-BBWFWOEESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC)C[C@H]2CC1 ZINC000946628457 611373774 /nfs/dbraw/zinc/37/37/74/611373774.db2.gz RJIAYXWMMLJGOJ-BBWFWOEESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=O)NC)C[C@H]2CC1 ZINC000946628457 611373779 /nfs/dbraw/zinc/37/37/79/611373779.db2.gz RJIAYXWMMLJGOJ-BBWFWOEESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949248370 608596728 /nfs/dbraw/zinc/59/67/28/608596728.db2.gz VCAZPAQRYGGODO-INIZCTEOSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949248370 608596730 /nfs/dbraw/zinc/59/67/30/608596730.db2.gz VCAZPAQRYGGODO-INIZCTEOSA-N 2 1 335.448 0.034 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000928433287 611687371 /nfs/dbraw/zinc/68/73/71/611687371.db2.gz SJIVBYQSEWONHX-SJJUBHFPSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928433287 611687372 /nfs/dbraw/zinc/68/73/72/611687372.db2.gz SJIVBYQSEWONHX-SJJUBHFPSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928433287 611687374 /nfs/dbraw/zinc/68/73/74/611687374.db2.gz SJIVBYQSEWONHX-SJJUBHFPSA-N 2 1 334.464 0.206 20 30 ECEDMP C#CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)C1CC[NH+](C)CC1 ZINC000917829986 609986210 /nfs/dbraw/zinc/98/62/10/609986210.db2.gz WGBRDNQATAOPRP-KRWDZBQOSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@H](C)CC)C2)CC1 ZINC000941440917 610316832 /nfs/dbraw/zinc/31/68/32/610316832.db2.gz WVPVDQPWNSRRDR-MJGOQNOKSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@H](C)CC)C2)CC1 ZINC000941440917 610316834 /nfs/dbraw/zinc/31/68/34/610316834.db2.gz WVPVDQPWNSRRDR-MJGOQNOKSA-N 2 1 346.519 0.959 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941455852 610318082 /nfs/dbraw/zinc/31/80/82/610318082.db2.gz IFPCVSXWKMNEKJ-NVXWUHKLSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941455852 610318084 /nfs/dbraw/zinc/31/80/84/610318084.db2.gz IFPCVSXWKMNEKJ-NVXWUHKLSA-N 2 1 336.480 0.110 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000941241744 610614122 /nfs/dbraw/zinc/61/41/22/610614122.db2.gz JKAJGBGJACPTFY-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000941241744 610614124 /nfs/dbraw/zinc/61/41/24/610614124.db2.gz JKAJGBGJACPTFY-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000941241744 610614127 /nfs/dbraw/zinc/61/41/27/610614127.db2.gz JKAJGBGJACPTFY-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000941241744 610614130 /nfs/dbraw/zinc/61/41/30/610614130.db2.gz JKAJGBGJACPTFY-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000944104618 611125954 /nfs/dbraw/zinc/12/59/54/611125954.db2.gz LKWMFUCILNQNKA-ZACQAIPSSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000944104618 611125955 /nfs/dbraw/zinc/12/59/55/611125955.db2.gz LKWMFUCILNQNKA-ZACQAIPSSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CCN(C(=O)C(=O)NCCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000929401930 611751562 /nfs/dbraw/zinc/75/15/62/611751562.db2.gz MWAIRWZHSTWLRV-UHFFFAOYSA-N 2 1 345.447 0.254 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000950650860 611817698 /nfs/dbraw/zinc/81/76/98/611817698.db2.gz JWKNZFLPVLTBKM-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000950650860 611817700 /nfs/dbraw/zinc/81/77/00/611817700.db2.gz JWKNZFLPVLTBKM-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000950650860 611817703 /nfs/dbraw/zinc/81/77/03/611817703.db2.gz JWKNZFLPVLTBKM-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000950650860 611817706 /nfs/dbraw/zinc/81/77/06/611817706.db2.gz JWKNZFLPVLTBKM-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950076443 611858512 /nfs/dbraw/zinc/85/85/12/611858512.db2.gz DNQSLCNIHYNLHM-SJORKVTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000950755044 611890949 /nfs/dbraw/zinc/89/09/49/611890949.db2.gz CAUBUMQVIKWJHL-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000950755044 611890950 /nfs/dbraw/zinc/89/09/50/611890950.db2.gz CAUBUMQVIKWJHL-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000950755044 611890951 /nfs/dbraw/zinc/89/09/51/611890951.db2.gz CAUBUMQVIKWJHL-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000950755044 611890952 /nfs/dbraw/zinc/89/09/52/611890952.db2.gz CAUBUMQVIKWJHL-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042885 731979240 /nfs/dbraw/zinc/97/92/40/731979240.db2.gz YKLOXIHRHLIASB-SJLPKXTDSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232520 733076709 /nfs/dbraw/zinc/07/67/09/733076709.db2.gz FVCFTGPQOLOOLR-HZPDHXFCSA-N 2 1 348.491 0.342 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000970366121 733424722 /nfs/dbraw/zinc/42/47/22/733424722.db2.gz JFXGFPYUORLWMF-RHSMWYFYSA-N 2 1 348.491 0.552 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnnn2CC)C1 ZINC000971703630 734965170 /nfs/dbraw/zinc/96/51/70/734965170.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 1 344.463 0.428 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnnn2CC)C1 ZINC000971703630 734965173 /nfs/dbraw/zinc/96/51/73/734965173.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 1 344.463 0.428 20 30 ECEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572365 736268976 /nfs/dbraw/zinc/26/89/76/736268976.db2.gz DWFIGIDYMOGTPL-UHFFFAOYSA-N 2 1 341.496 0.815 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001022975453 736346225 /nfs/dbraw/zinc/34/62/25/736346225.db2.gz LXXPOQYDXBPKGS-JONQDZQNSA-N 2 1 334.464 0.352 20 30 ECEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560680 738107216 /nfs/dbraw/zinc/10/72/16/738107216.db2.gz HXLMCRKDGFNCFY-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560680 738107218 /nfs/dbraw/zinc/10/72/18/738107218.db2.gz HXLMCRKDGFNCFY-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560680 738107222 /nfs/dbraw/zinc/10/72/22/738107222.db2.gz HXLMCRKDGFNCFY-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCO)[C@@H]3C2(C)C)CC1 ZINC001087318026 738289481 /nfs/dbraw/zinc/28/94/81/738289481.db2.gz PYAYNFGOYHFUJC-KSZLIROESA-N 2 1 347.503 0.929 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001025814019 739996356 /nfs/dbraw/zinc/99/63/56/739996356.db2.gz BSKSDPQVCHIBLI-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001025814019 739996358 /nfs/dbraw/zinc/99/63/58/739996358.db2.gz BSKSDPQVCHIBLI-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001025814019 739996359 /nfs/dbraw/zinc/99/63/59/739996359.db2.gz BSKSDPQVCHIBLI-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001025814019 739996361 /nfs/dbraw/zinc/99/63/61/739996361.db2.gz BSKSDPQVCHIBLI-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001025814019 739996363 /nfs/dbraw/zinc/99/63/63/739996363.db2.gz BSKSDPQVCHIBLI-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087413235 741926255 /nfs/dbraw/zinc/92/62/55/741926255.db2.gz AEYSFBXFNCEFQW-MANSERQUSA-N 2 1 345.487 0.493 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001026893980 742039174 /nfs/dbraw/zinc/03/91/74/742039174.db2.gz SQZMFGXWWUDHGG-HIFRSBDPSA-N 2 1 333.461 0.574 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC001026894270 742040165 /nfs/dbraw/zinc/04/01/65/742040165.db2.gz ZBMVAMYFRRHNPT-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC001026894270 742040168 /nfs/dbraw/zinc/04/01/68/742040168.db2.gz ZBMVAMYFRRHNPT-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000261611223 751797100 /nfs/dbraw/zinc/79/71/00/751797100.db2.gz FTASWUHCBGANSD-QXSJWSMHSA-N 2 1 336.480 0.830 20 30 ECEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000261611223 751797107 /nfs/dbraw/zinc/79/71/07/751797107.db2.gz FTASWUHCBGANSD-QXSJWSMHSA-N 2 1 336.480 0.830 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825905 744362749 /nfs/dbraw/zinc/36/27/49/744362749.db2.gz NNQVDYBUYKCNAM-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825905 744362750 /nfs/dbraw/zinc/36/27/50/744362750.db2.gz NNQVDYBUYKCNAM-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999393319 744672898 /nfs/dbraw/zinc/67/28/98/744672898.db2.gz XGWJKFGBUGQXGM-WBVHZDCISA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999393319 744672900 /nfs/dbraw/zinc/67/29/00/744672900.db2.gz XGWJKFGBUGQXGM-WBVHZDCISA-N 2 1 344.463 0.476 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000999725849 744871145 /nfs/dbraw/zinc/87/11/45/744871145.db2.gz NNVFPOJHVALYDC-CVEARBPZSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646743 745332373 /nfs/dbraw/zinc/33/23/73/745332373.db2.gz NFIQXNCMXJFIRG-LSDHHAIUSA-N 2 1 345.447 0.497 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000983900108 745476099 /nfs/dbraw/zinc/47/60/99/745476099.db2.gz DXWXFQOESXRBKT-BZSNNMDCSA-N 2 1 333.476 0.995 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000983900108 745476103 /nfs/dbraw/zinc/47/61/03/745476103.db2.gz DXWXFQOESXRBKT-BZSNNMDCSA-N 2 1 333.476 0.995 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H]2CCOC2)CC1 ZINC001000787946 745763728 /nfs/dbraw/zinc/76/37/28/745763728.db2.gz LMZVUAXLCVPZCB-MSOLQXFVSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001000787946 745763733 /nfs/dbraw/zinc/76/37/33/745763733.db2.gz LMZVUAXLCVPZCB-MSOLQXFVSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H]2CCOC2)CC1 ZINC001000787946 745763739 /nfs/dbraw/zinc/76/37/39/745763739.db2.gz LMZVUAXLCVPZCB-MSOLQXFVSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H]2CCOC2)CC1 ZINC001000787946 745763743 /nfs/dbraw/zinc/76/37/43/745763743.db2.gz LMZVUAXLCVPZCB-MSOLQXFVSA-N 2 1 331.460 0.869 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001000918515 745898881 /nfs/dbraw/zinc/89/88/81/745898881.db2.gz GNBXWLWJCKFMOL-CVEARBPZSA-N 2 1 345.447 0.559 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC(=O)N(C)C)CC2)CC1 ZINC001001467786 746409427 /nfs/dbraw/zinc/40/94/27/746409427.db2.gz NTTQRWBOCWMKQJ-UHFFFAOYSA-N 2 1 346.475 0.168 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC(=O)N(C)C)CC2)CC1 ZINC001001467786 746409428 /nfs/dbraw/zinc/40/94/28/746409428.db2.gz NTTQRWBOCWMKQJ-UHFFFAOYSA-N 2 1 346.475 0.168 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561687 746443292 /nfs/dbraw/zinc/44/32/92/746443292.db2.gz SPMOGNCXEFAZOQ-PIMZTRDMSA-N 2 1 331.460 0.720 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561687 746443296 /nfs/dbraw/zinc/44/32/96/746443296.db2.gz SPMOGNCXEFAZOQ-PIMZTRDMSA-N 2 1 331.460 0.720 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561687 746443301 /nfs/dbraw/zinc/44/33/01/746443301.db2.gz SPMOGNCXEFAZOQ-PIMZTRDMSA-N 2 1 331.460 0.720 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203442750 746500733 /nfs/dbraw/zinc/50/07/33/746500733.db2.gz NJDVJFYNVVIOBQ-OAHLLOKOSA-N 2 1 336.480 0.437 20 30 ECEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1CCN(C(C)=O)CC1 ZINC000262421931 747485540 /nfs/dbraw/zinc/48/55/40/747485540.db2.gz FTYSRGLYIWDDJL-INIZCTEOSA-N 2 1 341.525 0.600 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255162 749261496 /nfs/dbraw/zinc/26/14/96/749261496.db2.gz PBGGYSAIBNPSFJ-IPMKNSEASA-N 2 1 347.503 0.931 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153594 750107337 /nfs/dbraw/zinc/10/73/37/750107337.db2.gz NYXWFYMCFVHKRH-CQSZACIVSA-N 2 1 347.463 0.758 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1=O ZINC000981341225 750597722 /nfs/dbraw/zinc/59/77/22/750597722.db2.gz XRZALILFKRYGRS-KRWDZBQOSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1=O ZINC000981341225 750597725 /nfs/dbraw/zinc/59/77/25/750597725.db2.gz XRZALILFKRYGRS-KRWDZBQOSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)C1=O ZINC000981341225 750597728 /nfs/dbraw/zinc/59/77/28/750597728.db2.gz XRZALILFKRYGRS-KRWDZBQOSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)C1=O ZINC000981341225 750597732 /nfs/dbraw/zinc/59/77/32/750597732.db2.gz XRZALILFKRYGRS-KRWDZBQOSA-N 2 1 348.491 0.792 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)CC1 ZINC001028334202 752414589 /nfs/dbraw/zinc/41/45/89/752414589.db2.gz XDROLMDNDKHBHL-KRWDZBQOSA-N 2 1 346.475 0.191 20 30 ECEDMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755397 /nfs/dbraw/zinc/75/53/97/752755397.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 1 342.443 0.827 20 30 ECEDMP CN1CCO[C@H](C(=O)NC[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755402 /nfs/dbraw/zinc/75/54/02/752755402.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000989064719 753201938 /nfs/dbraw/zinc/20/19/38/753201938.db2.gz JZYVOKRIZXXBNJ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000989064719 753201942 /nfs/dbraw/zinc/20/19/42/753201942.db2.gz JZYVOKRIZXXBNJ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000989064719 753201945 /nfs/dbraw/zinc/20/19/45/753201945.db2.gz JZYVOKRIZXXBNJ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000989064719 753201948 /nfs/dbraw/zinc/20/19/48/753201948.db2.gz JZYVOKRIZXXBNJ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818710 753850084 /nfs/dbraw/zinc/85/00/84/753850084.db2.gz BHHKIHMYRXWHDE-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818710 753850090 /nfs/dbraw/zinc/85/00/90/753850090.db2.gz BHHKIHMYRXWHDE-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818710 753850097 /nfs/dbraw/zinc/85/00/97/753850097.db2.gz BHHKIHMYRXWHDE-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818710 753850103 /nfs/dbraw/zinc/85/01/03/753850103.db2.gz BHHKIHMYRXWHDE-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C[NH+]=C(NCCc1nc(C)no1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261792850 753894118 /nfs/dbraw/zinc/89/41/18/753894118.db2.gz RADWPCBRIIGLSK-CQSZACIVSA-N 2 1 336.440 0.150 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083468631 755197486 /nfs/dbraw/zinc/19/74/86/755197486.db2.gz HUWBPSGQHDZYDZ-NCOADZHNSA-N 2 1 337.464 0.081 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083468631 755197488 /nfs/dbraw/zinc/19/74/88/755197488.db2.gz HUWBPSGQHDZYDZ-NCOADZHNSA-N 2 1 337.464 0.081 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001011209371 757194260 /nfs/dbraw/zinc/19/42/60/757194260.db2.gz XQNPXMJJQLHNEV-ZACQAIPSSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001011209371 757194263 /nfs/dbraw/zinc/19/42/63/757194263.db2.gz XQNPXMJJQLHNEV-ZACQAIPSSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011209371 757194266 /nfs/dbraw/zinc/19/42/66/757194266.db2.gz XQNPXMJJQLHNEV-ZACQAIPSSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001011209371 757194268 /nfs/dbraw/zinc/19/42/68/757194268.db2.gz XQNPXMJJQLHNEV-ZACQAIPSSA-N 2 1 346.475 0.095 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943779 757479505 /nfs/dbraw/zinc/47/95/05/757479505.db2.gz GMIMKVZMTWILJS-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943779 757479508 /nfs/dbraw/zinc/47/95/08/757479508.db2.gz GMIMKVZMTWILJS-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943779 757479516 /nfs/dbraw/zinc/47/95/16/757479516.db2.gz GMIMKVZMTWILJS-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2conc2C)C1 ZINC001051659880 762616478 /nfs/dbraw/zinc/61/64/78/762616478.db2.gz FHEOJPYYHOCMKP-IRXDYDNUSA-N 2 1 346.431 0.398 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2conc2C)C1 ZINC001051659880 762616480 /nfs/dbraw/zinc/61/64/80/762616480.db2.gz FHEOJPYYHOCMKP-IRXDYDNUSA-N 2 1 346.431 0.398 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001022220381 758439651 /nfs/dbraw/zinc/43/96/51/758439651.db2.gz AHJKKHKUAXFFMN-BBWFWOEESA-N 2 1 329.448 0.563 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001022220381 758439658 /nfs/dbraw/zinc/43/96/58/758439658.db2.gz AHJKKHKUAXFFMN-BBWFWOEESA-N 2 1 329.448 0.563 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000996684411 758467119 /nfs/dbraw/zinc/46/71/19/758467119.db2.gz JNKUVHXQVUEVNG-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000996684411 758467124 /nfs/dbraw/zinc/46/71/24/758467124.db2.gz JNKUVHXQVUEVNG-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060321758 762650513 /nfs/dbraw/zinc/65/05/13/762650513.db2.gz OXZGNUOMZPUHKK-SJORKVTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060321758 762650515 /nfs/dbraw/zinc/65/05/15/762650515.db2.gz OXZGNUOMZPUHKK-SJORKVTESA-N 2 1 348.491 0.391 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082786 761028319 /nfs/dbraw/zinc/02/83/19/761028319.db2.gz YUWANYCJASYOBE-MRXNPFEDSA-N 2 1 336.480 0.766 20 30 ECEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245507 768010268 /nfs/dbraw/zinc/01/02/68/768010268.db2.gz CEWDKDNSHQLUOD-BRWVUGGUSA-N 2 1 331.464 0.521 20 30 ECEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106272197 768042020 /nfs/dbraw/zinc/04/20/20/768042020.db2.gz UOMSZDDSTCKRDB-OAGGEKHMSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849095 763227338 /nfs/dbraw/zinc/22/73/38/763227338.db2.gz BFZMJVNALMGMKH-BEFAXECRSA-N 2 1 348.491 0.389 20 30 ECEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036376 763649614 /nfs/dbraw/zinc/64/96/14/763649614.db2.gz NANQHOAQOZUNFI-MSOLQXFVSA-N 2 1 347.507 0.706 20 30 ECEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036376 763649617 /nfs/dbraw/zinc/64/96/17/763649617.db2.gz NANQHOAQOZUNFI-MSOLQXFVSA-N 2 1 347.507 0.706 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001052040963 763663803 /nfs/dbraw/zinc/66/38/03/763663803.db2.gz NTAUHVVUEQBHLC-GOSISDBHSA-N 2 1 344.503 0.714 20 30 ECEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052699 763716557 /nfs/dbraw/zinc/71/65/57/763716557.db2.gz VGOYBAJHLRKMKG-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001031948328 763734799 /nfs/dbraw/zinc/73/47/99/763734799.db2.gz VGCNIZGTBFJWIP-INIZCTEOSA-N 2 1 334.464 0.163 20 30 ECEDMP C#CCCN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778018 764105094 /nfs/dbraw/zinc/10/50/94/764105094.db2.gz XVFMNCZLKBZZCW-KEYYUXOJSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778018 764105100 /nfs/dbraw/zinc/10/51/00/764105100.db2.gz XVFMNCZLKBZZCW-KEYYUXOJSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778018 764105107 /nfs/dbraw/zinc/10/51/07/764105107.db2.gz XVFMNCZLKBZZCW-KEYYUXOJSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778018 764105118 /nfs/dbraw/zinc/10/51/18/764105118.db2.gz XVFMNCZLKBZZCW-KEYYUXOJSA-N 2 1 325.428 0.384 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047502396 764530490 /nfs/dbraw/zinc/53/04/90/764530490.db2.gz LTMLBCMMGUTVMF-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047502396 764530500 /nfs/dbraw/zinc/53/05/00/764530500.db2.gz LTMLBCMMGUTVMF-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581311 764767071 /nfs/dbraw/zinc/76/70/71/764767071.db2.gz TZKUIJPHOUCIRI-IRXDYDNUSA-N 2 1 339.399 0.408 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581311 764767080 /nfs/dbraw/zinc/76/70/80/764767080.db2.gz TZKUIJPHOUCIRI-IRXDYDNUSA-N 2 1 339.399 0.408 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001052954560 765410374 /nfs/dbraw/zinc/41/03/74/765410374.db2.gz OXDISGJRXMETKL-HOCLYGCPSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC001016330864 766130031 /nfs/dbraw/zinc/13/00/31/766130031.db2.gz WEIXPICUYYNWGO-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC001016330864 766130035 /nfs/dbraw/zinc/13/00/35/766130035.db2.gz WEIXPICUYYNWGO-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000994752906 766703988 /nfs/dbraw/zinc/70/39/88/766703988.db2.gz WKCOPBQDVYNTPG-INIZCTEOSA-N 2 1 344.459 0.039 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000994752906 766703995 /nfs/dbraw/zinc/70/39/95/766703995.db2.gz WKCOPBQDVYNTPG-INIZCTEOSA-N 2 1 344.459 0.039 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1=O ZINC001031715710 766726555 /nfs/dbraw/zinc/72/65/55/766726555.db2.gz YNQXZBMMJHCSQY-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715710 766726560 /nfs/dbraw/zinc/72/65/60/766726560.db2.gz YNQXZBMMJHCSQY-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036857 766729605 /nfs/dbraw/zinc/72/96/05/766729605.db2.gz HTIAWWJGQCIXEF-ROUUACIJSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)CC1 ZINC000992513494 766752916 /nfs/dbraw/zinc/75/29/16/766752916.db2.gz VVMRNEDXQGXNIY-QFBILLFUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@H](C)C(N)=O)CC3)CC1 ZINC000992515624 766755598 /nfs/dbraw/zinc/75/55/98/766755598.db2.gz ZGXWTSDJSBBIKM-ALKREAHSSA-N 2 1 346.475 0.319 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001046050932 766788717 /nfs/dbraw/zinc/78/87/17/766788717.db2.gz SZCODWJGKAEUEX-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875566 767111414 /nfs/dbraw/zinc/11/14/14/767111414.db2.gz GECKDKIOQHFSEE-BNQMIIOLSA-N 2 1 347.459 0.385 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875566 767111422 /nfs/dbraw/zinc/11/14/22/767111422.db2.gz GECKDKIOQHFSEE-BNQMIIOLSA-N 2 1 347.459 0.385 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(N)=O)CC1 ZINC001089735545 767136943 /nfs/dbraw/zinc/13/69/43/767136943.db2.gz NBDXRRGTVXMSFW-MRXNPFEDSA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)CC1 ZINC001089735545 767136944 /nfs/dbraw/zinc/13/69/44/767136944.db2.gz NBDXRRGTVXMSFW-MRXNPFEDSA-N 2 1 348.491 0.424 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055602153 769234307 /nfs/dbraw/zinc/23/43/07/769234307.db2.gz RIJMQELSNKTSLS-CABCVRRESA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055632452 769306266 /nfs/dbraw/zinc/30/62/66/769306266.db2.gz VKIZDRZYJQYIFA-HOCLYGCPSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001020250642 772350650 /nfs/dbraw/zinc/35/06/50/772350650.db2.gz KJTNCKBYLOEVBS-JYJNAYRXSA-N 2 1 329.448 0.737 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046897 790442517 /nfs/dbraw/zinc/44/25/17/790442517.db2.gz VDGUSFULLOFMEI-SJORKVTESA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046897 790442528 /nfs/dbraw/zinc/44/25/28/790442528.db2.gz VDGUSFULLOFMEI-SJORKVTESA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068219 790496739 /nfs/dbraw/zinc/49/67/39/790496739.db2.gz NCNDMWFZBAVWQT-SJORKVTESA-N 2 1 346.479 0.926 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068219 790496747 /nfs/dbraw/zinc/49/67/47/790496747.db2.gz NCNDMWFZBAVWQT-SJORKVTESA-N 2 1 346.479 0.926 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273350 780949460 /nfs/dbraw/zinc/94/94/60/780949460.db2.gz AMIUXZRSXSXQSS-FGTMMUONSA-N 2 1 345.487 0.901 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223971 783693007 /nfs/dbraw/zinc/69/30/07/783693007.db2.gz GMYVBYUUIVEEMR-IKGGRYGDSA-N 2 1 346.479 0.926 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070399283 783965332 /nfs/dbraw/zinc/96/53/32/783965332.db2.gz IFDXGPOKOBAYQZ-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070399283 783965339 /nfs/dbraw/zinc/96/53/39/783965339.db2.gz IFDXGPOKOBAYQZ-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001070399283 783965346 /nfs/dbraw/zinc/96/53/46/783965346.db2.gz IFDXGPOKOBAYQZ-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070400165 783968279 /nfs/dbraw/zinc/96/82/79/783968279.db2.gz SJYBQZVXVSNVIB-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400165 783968282 /nfs/dbraw/zinc/96/82/82/783968282.db2.gz SJYBQZVXVSNVIB-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400165 783968290 /nfs/dbraw/zinc/96/82/90/783968290.db2.gz SJYBQZVXVSNVIB-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070433691 784059890 /nfs/dbraw/zinc/05/98/90/784059890.db2.gz BCWFLZNGHFTAQH-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070433691 784059897 /nfs/dbraw/zinc/05/98/97/784059897.db2.gz BCWFLZNGHFTAQH-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070433691 784059905 /nfs/dbraw/zinc/05/99/05/784059905.db2.gz BCWFLZNGHFTAQH-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070433691 784059914 /nfs/dbraw/zinc/05/99/14/784059914.db2.gz BCWFLZNGHFTAQH-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070434117 784061688 /nfs/dbraw/zinc/06/16/88/784061688.db2.gz MUIJMSQSJFTNCJ-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070434117 784061693 /nfs/dbraw/zinc/06/16/93/784061693.db2.gz MUIJMSQSJFTNCJ-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070434117 784061699 /nfs/dbraw/zinc/06/16/99/784061699.db2.gz MUIJMSQSJFTNCJ-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070434117 784061707 /nfs/dbraw/zinc/06/17/07/784061707.db2.gz MUIJMSQSJFTNCJ-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020873 784441385 /nfs/dbraw/zinc/44/13/85/784441385.db2.gz ZGRHOTBSQFQLAD-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020873 784441390 /nfs/dbraw/zinc/44/13/90/784441390.db2.gz ZGRHOTBSQFQLAD-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020873 784441393 /nfs/dbraw/zinc/44/13/93/784441393.db2.gz ZGRHOTBSQFQLAD-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070657721 784510469 /nfs/dbraw/zinc/51/04/69/784510469.db2.gz HINWLLKZHLSMOM-GVDBMIGSSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@H](C)O2 ZINC001071186044 784690136 /nfs/dbraw/zinc/69/01/36/784690136.db2.gz PPGDESMAIGCLQM-FUHWJXTLSA-N 2 1 331.460 0.940 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740136 787091064 /nfs/dbraw/zinc/09/10/64/787091064.db2.gz BWTZJBSZFSLCBY-IAGOWNOFSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740136 787091068 /nfs/dbraw/zinc/09/10/68/787091068.db2.gz BWTZJBSZFSLCBY-IAGOWNOFSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740136 787091078 /nfs/dbraw/zinc/09/10/78/787091078.db2.gz BWTZJBSZFSLCBY-IAGOWNOFSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816046 787251513 /nfs/dbraw/zinc/25/15/13/787251513.db2.gz SRKHHBJZCBKNBE-QGZVFWFLSA-N 2 1 349.479 0.842 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859628 787380064 /nfs/dbraw/zinc/38/00/64/787380064.db2.gz PFNJFGKBPAMDSJ-HNNXBMFYSA-N 2 1 330.432 0.992 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859628 787380073 /nfs/dbraw/zinc/38/00/73/787380073.db2.gz PFNJFGKBPAMDSJ-HNNXBMFYSA-N 2 1 330.432 0.992 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001075166946 789010988 /nfs/dbraw/zinc/01/09/88/789010988.db2.gz KFUUDEJEMKAPPZ-OAFZBRQQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001075166946 789010999 /nfs/dbraw/zinc/01/09/99/789010999.db2.gz KFUUDEJEMKAPPZ-OAFZBRQQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001067008856 792563606 /nfs/dbraw/zinc/56/36/06/792563606.db2.gz AZWLAZFLFHBWND-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001067008856 792563614 /nfs/dbraw/zinc/56/36/14/792563614.db2.gz AZWLAZFLFHBWND-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001067008856 792563625 /nfs/dbraw/zinc/56/36/25/792563625.db2.gz AZWLAZFLFHBWND-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001067008856 792563635 /nfs/dbraw/zinc/56/36/35/792563635.db2.gz AZWLAZFLFHBWND-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267488113 837553133 /nfs/dbraw/zinc/55/31/33/837553133.db2.gz YNQRSPDNXAXRQU-HNNXBMFYSA-N 2 1 348.491 0.437 20 30 ECEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266750351 836241516 /nfs/dbraw/zinc/24/15/16/836241516.db2.gz VGOYNHILMWWBDD-SJLPKXTDSA-N 2 1 333.476 0.806 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266790478 836308316 /nfs/dbraw/zinc/30/83/16/836308316.db2.gz HZJQBXCZPWQJSR-SJORKVTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266880527 836427572 /nfs/dbraw/zinc/42/75/72/836427572.db2.gz LIWMBWWLBCEUPP-CVEARBPZSA-N 2 1 336.480 0.437 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267018973 836635071 /nfs/dbraw/zinc/63/50/71/836635071.db2.gz VKLUSIPTAIDSAD-IRXDYDNUSA-N 2 1 348.491 0.719 20 30 ECEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267308577 837183319 /nfs/dbraw/zinc/18/33/19/837183319.db2.gz BWQBOXXIIWOWGZ-CVEARBPZSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267308577 837183323 /nfs/dbraw/zinc/18/33/23/837183323.db2.gz BWQBOXXIIWOWGZ-CVEARBPZSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267308577 837183328 /nfs/dbraw/zinc/18/33/28/837183328.db2.gz BWQBOXXIIWOWGZ-CVEARBPZSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267308577 837183332 /nfs/dbraw/zinc/18/33/32/837183332.db2.gz BWQBOXXIIWOWGZ-CVEARBPZSA-N 2 1 325.453 0.348 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]([C@H](C)C(=O)N(C)C)C2CC2)CC1 ZINC001267337694 837220904 /nfs/dbraw/zinc/22/09/04/837220904.db2.gz FFENQFZBWSKUBG-OAHLLOKOSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+]([C@H](C)C(=O)N(C)C)C2CC2)CC1 ZINC001267337694 837220908 /nfs/dbraw/zinc/22/09/08/837220908.db2.gz FFENQFZBWSKUBG-OAHLLOKOSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2CC2)CC1 ZINC001267337693 837220940 /nfs/dbraw/zinc/22/09/40/837220940.db2.gz FFENQFZBWSKUBG-HNNXBMFYSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+]([C@@H](C)C(=O)N(C)C)C2CC2)CC1 ZINC001267337693 837220944 /nfs/dbraw/zinc/22/09/44/837220944.db2.gz FFENQFZBWSKUBG-HNNXBMFYSA-N 2 1 348.491 0.389 20 30 ECEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267767222 838502904 /nfs/dbraw/zinc/50/29/04/838502904.db2.gz NGDBJLOYMKMENS-JKSUJKDBSA-N 2 1 330.432 0.628 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267966230 838883166 /nfs/dbraw/zinc/88/31/66/838883166.db2.gz ISAOBPUTECYEOD-GDBMZVCRSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267966230 838883177 /nfs/dbraw/zinc/88/31/77/838883177.db2.gz ISAOBPUTECYEOD-GDBMZVCRSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)C1=O ZINC001268033288 839081450 /nfs/dbraw/zinc/08/14/50/839081450.db2.gz LDDZNENXQYMKLW-HZPDHXFCSA-N 2 1 348.491 0.886 20 30 ECEDMP C[C@H]1C[NH+]=C(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000496360438 255093614 /nfs/dbraw/zinc/09/36/14/255093614.db2.gz NIGZACWBFFBCAA-ZDUSSCGKSA-N 2 1 325.457 0.867 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000076454111 436205015 /nfs/dbraw/zinc/20/50/15/436205015.db2.gz TYSUIOQQXJCVEI-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934262 436898946 /nfs/dbraw/zinc/89/89/46/436898946.db2.gz CCOUAROKFGMFEF-JKSUJKDBSA-N 2 1 346.479 0.356 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2ncccn2)CC1 ZINC000262595348 436938711 /nfs/dbraw/zinc/93/87/11/436938711.db2.gz WKDKGMOXOBSFPC-UHFFFAOYSA-N 2 1 328.424 0.379 20 30 ECEDMP COc1ccccc1CNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912800 436960188 /nfs/dbraw/zinc/96/01/88/436960188.db2.gz BHVVVAPNHDGBKI-UHFFFAOYSA-N 2 1 333.436 0.264 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1cccc(O)c1 ZINC000264230278 437018358 /nfs/dbraw/zinc/01/83/58/437018358.db2.gz CGEPOBOBGROFIU-OAHLLOKOSA-N 2 1 347.463 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)CC1 ZINC000174370366 437079095 /nfs/dbraw/zinc/07/90/95/437079095.db2.gz OKLGWLBMJHUMTI-OAHLLOKOSA-N 2 1 335.448 0.427 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nnc2n1CCCCC2 ZINC000303772560 437153229 /nfs/dbraw/zinc/15/32/29/437153229.db2.gz DRYMYTRNJAADTO-UHFFFAOYSA-N 2 1 335.456 0.131 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000343928554 437699957 /nfs/dbraw/zinc/69/99/57/437699957.db2.gz VUWYQUVDYPXVFY-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC(F)(C#N)CC2)C1 ZINC000352484071 438428542 /nfs/dbraw/zinc/42/85/42/438428542.db2.gz LDJHXKRGROAMMX-OAHLLOKOSA-N 2 1 340.443 0.787 20 30 ECEDMP CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(F)(C#N)CC2)C1 ZINC000352484071 438428547 /nfs/dbraw/zinc/42/85/47/438428547.db2.gz LDJHXKRGROAMMX-OAHLLOKOSA-N 2 1 340.443 0.787 20 30 ECEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000491554738 439406666 /nfs/dbraw/zinc/40/66/66/439406666.db2.gz LSYBLMCYQJJQTO-UHFFFAOYSA-N 2 1 328.460 0.663 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000491427912 439382367 /nfs/dbraw/zinc/38/23/67/439382367.db2.gz MMJUVASIEYYYNS-IRXDYDNUSA-N 2 1 336.480 0.869 20 30 ECEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740621 439696672 /nfs/dbraw/zinc/69/66/72/439696672.db2.gz ZNRLDFPQEUZTCS-HOTGVXAUSA-N 2 1 325.453 0.494 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000600736053 439697398 /nfs/dbraw/zinc/69/73/98/439697398.db2.gz PRSPEWQYSMFARP-KRWDZBQOSA-N 2 1 346.475 0.914 20 30 ECEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078013079 782137515 /nfs/dbraw/zinc/13/75/15/782137515.db2.gz PROGMAXRVJMWQZ-IAGOWNOFSA-N 2 1 340.427 0.315 20 30 ECEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078013079 782137520 /nfs/dbraw/zinc/13/75/20/782137520.db2.gz PROGMAXRVJMWQZ-IAGOWNOFSA-N 2 1 340.427 0.315 20 30 ECEDMP C[C@@](O)(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000186890517 545899796 /nfs/dbraw/zinc/89/97/96/545899796.db2.gz ANKUEXGZBDFQPS-GOSISDBHSA-N 2 1 334.464 0.911 20 30 ECEDMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c2ccccc2)CC1 ZINC000834495376 588903074 /nfs/dbraw/zinc/90/30/74/588903074.db2.gz UZNGBLQIIYYKOX-BBWFWOEESA-N 2 1 327.432 0.203 20 30 ECEDMP C#CCNc1nc(NC[C@@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770770 586204016 /nfs/dbraw/zinc/20/40/16/586204016.db2.gz QZGBIKAJUHFCLM-STQMWFEESA-N 2 1 330.440 0.149 20 30 ECEDMP CCC(CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000104161080 586333833 /nfs/dbraw/zinc/33/38/33/586333833.db2.gz CDLMZHXOHLRFJL-MRXNPFEDSA-N 3 1 327.517 0.979 20 30 ECEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000852915790 589525585 /nfs/dbraw/zinc/52/55/85/589525585.db2.gz LUNSFXRZMNGZNQ-IAGOWNOFSA-N 2 1 331.460 0.749 20 30 ECEDMP N#Cc1cc(C[NH+]2C[C@H]3C[C@@]3(O)C2)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000880420574 590391427 /nfs/dbraw/zinc/39/14/27/590391427.db2.gz JPSZEPMPQQGSPZ-QGFMHUBQSA-N 2 1 325.412 0.691 20 30 ECEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@]3(O)C2)cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000880420574 590391428 /nfs/dbraw/zinc/39/14/28/590391428.db2.gz JPSZEPMPQQGSPZ-QGFMHUBQSA-N 2 1 325.412 0.691 20 30 ECEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@]3(O)C2)cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000880420574 590391429 /nfs/dbraw/zinc/39/14/29/590391429.db2.gz JPSZEPMPQQGSPZ-QGFMHUBQSA-N 2 1 325.412 0.691 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880500030 590398008 /nfs/dbraw/zinc/39/80/08/590398008.db2.gz SPMYVJLJEHQLJO-IRXDYDNUSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880500027 590398242 /nfs/dbraw/zinc/39/82/42/590398242.db2.gz SPMYVJLJEHQLJO-DLBZAZTESA-N 2 1 333.476 0.947 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)C1 ZINC000884327151 590807002 /nfs/dbraw/zinc/80/70/02/590807002.db2.gz LBVBOWGXKAUUTA-CQDIZWNASA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)C1 ZINC000884327151 590807005 /nfs/dbraw/zinc/80/70/05/590807005.db2.gz LBVBOWGXKAUUTA-CQDIZWNASA-N 2 1 348.447 0.222 20 30 ECEDMP C#CCN1CCC[C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000886211324 590815190 /nfs/dbraw/zinc/81/51/90/590815190.db2.gz MZDNNTQADUOZNM-QGZVFWFLSA-N 2 1 328.464 0.416 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597734 611359277 /nfs/dbraw/zinc/35/92/77/611359277.db2.gz IAQTZPIANZBULW-XWTMOSNGSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597734 611359278 /nfs/dbraw/zinc/35/92/78/611359278.db2.gz IAQTZPIANZBULW-XWTMOSNGSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597734 611359279 /nfs/dbraw/zinc/35/92/79/611359279.db2.gz IAQTZPIANZBULW-XWTMOSNGSA-N 2 1 331.460 0.653 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000930007751 611379531 /nfs/dbraw/zinc/37/95/31/611379531.db2.gz XRXAKFJEYIRECD-UHFFFAOYSA-N 2 1 336.480 0.601 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157389369 609724024 /nfs/dbraw/zinc/72/40/24/609724024.db2.gz VWSLFTWSDGFSPX-KRWDZBQOSA-N 2 1 339.528 0.852 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906296 610023194 /nfs/dbraw/zinc/02/31/94/610023194.db2.gz MJWSMPSONSOBKU-KRWDZBQOSA-N 3 1 347.507 0.552 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940158261 610224968 /nfs/dbraw/zinc/22/49/68/610224968.db2.gz XPMFYLIDTMADOW-INIZCTEOSA-N 2 1 344.463 0.383 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940158261 610224969 /nfs/dbraw/zinc/22/49/69/610224969.db2.gz XPMFYLIDTMADOW-INIZCTEOSA-N 2 1 344.463 0.383 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414344 610303364 /nfs/dbraw/zinc/30/33/64/610303364.db2.gz REZBUFLKFVGTFM-AEFFLSMTSA-N 2 1 348.491 0.254 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566716 610386457 /nfs/dbraw/zinc/38/64/57/610386457.db2.gz KQQJUHIRZKBTGG-UHFFFAOYSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566716 610386461 /nfs/dbraw/zinc/38/64/61/610386461.db2.gz KQQJUHIRZKBTGG-UHFFFAOYSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946839627 611188104 /nfs/dbraw/zinc/18/81/04/611188104.db2.gz GMBHAYOVVQYNRM-CALCHBBNSA-N 2 1 333.476 0.901 20 30 ECEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC000949061404 611835155 /nfs/dbraw/zinc/83/51/55/611835155.db2.gz YXMWMHPZPBHVLF-MRXNPFEDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949061404 611835156 /nfs/dbraw/zinc/83/51/56/611835156.db2.gz YXMWMHPZPBHVLF-MRXNPFEDSA-N 2 1 337.464 0.587 20 30 ECEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471002 611991610 /nfs/dbraw/zinc/99/16/10/611991610.db2.gz NNRVZSSTXVXCKH-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471002 611991612 /nfs/dbraw/zinc/99/16/12/611991612.db2.gz NNRVZSSTXVXCKH-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471002 611991614 /nfs/dbraw/zinc/99/16/14/611991614.db2.gz NNRVZSSTXVXCKH-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471002 611991617 /nfs/dbraw/zinc/99/16/17/611991617.db2.gz NNRVZSSTXVXCKH-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001024987849 738462501 /nfs/dbraw/zinc/46/25/01/738462501.db2.gz WVWGNVWJHVQZDK-RDJZCZTQSA-N 2 1 344.463 0.383 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001024987849 738462502 /nfs/dbraw/zinc/46/25/02/738462502.db2.gz WVWGNVWJHVQZDK-RDJZCZTQSA-N 2 1 344.463 0.383 20 30 ECEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686322 732048181 /nfs/dbraw/zinc/04/81/81/732048181.db2.gz AMPYMHQQADVQBZ-OLMNPRSZSA-N 2 1 333.476 0.803 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001211278156 734245419 /nfs/dbraw/zinc/24/54/19/734245419.db2.gz PYGPVMXUNLQYCO-HOTGVXAUSA-N 2 1 336.480 0.694 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@H]2O)CC1 ZINC001078227130 782523475 /nfs/dbraw/zinc/52/34/75/782523475.db2.gz KJGXJBFEOPALAM-NUEKZKHPSA-N 2 1 325.428 0.241 20 30 ECEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475517 736292511 /nfs/dbraw/zinc/29/25/11/736292511.db2.gz NXHPEKRPWBGDMN-JZRYZNKLSA-N 2 1 347.459 0.339 20 30 ECEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104676386 739457436 /nfs/dbraw/zinc/45/74/36/739457436.db2.gz HVELGPVPLSJTNX-BZUAXINKSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098609381 740708798 /nfs/dbraw/zinc/70/87/98/740708798.db2.gz AWMAKUWKAQEGJS-IXDOHACOSA-N 2 1 349.475 0.421 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098609381 740708802 /nfs/dbraw/zinc/70/88/02/740708802.db2.gz AWMAKUWKAQEGJS-IXDOHACOSA-N 2 1 349.475 0.421 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264624 741596058 /nfs/dbraw/zinc/59/60/58/741596058.db2.gz NWYSTCKIQUMZDV-OAHLLOKOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264624 741596060 /nfs/dbraw/zinc/59/60/60/741596060.db2.gz NWYSTCKIQUMZDV-OAHLLOKOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326729 741809939 /nfs/dbraw/zinc/80/99/39/741809939.db2.gz DERIVDHWTCTCQO-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001026893770 742038988 /nfs/dbraw/zinc/03/89/88/742038988.db2.gz NBUWECPXFZPLBC-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001026893770 742038993 /nfs/dbraw/zinc/03/89/93/742038993.db2.gz NBUWECPXFZPLBC-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP Cc1nnc(CNC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261967796 743195979 /nfs/dbraw/zinc/19/59/79/743195979.db2.gz LVYCDXISDGRZNR-SMDDNHRTSA-N 2 1 331.468 0.946 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997183260 743325046 /nfs/dbraw/zinc/32/50/46/743325046.db2.gz JCSFKSOQBIKZTM-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000999725860 744871085 /nfs/dbraw/zinc/87/10/85/744871085.db2.gz NNVFPOJHVALYDC-HOTGVXAUSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168240425 751959882 /nfs/dbraw/zinc/95/98/82/751959882.db2.gz KCVFRWZZNBRVJH-MRXNPFEDSA-N 2 1 339.480 0.786 20 30 ECEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168240425 751959886 /nfs/dbraw/zinc/95/98/86/751959886.db2.gz KCVFRWZZNBRVJH-MRXNPFEDSA-N 2 1 339.480 0.786 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044559 745225118 /nfs/dbraw/zinc/22/51/18/745225118.db2.gz WOGOAZRFGSOLGZ-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044559 745225123 /nfs/dbraw/zinc/22/51/23/745225123.db2.gz WOGOAZRFGSOLGZ-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044559 745225129 /nfs/dbraw/zinc/22/51/29/745225129.db2.gz WOGOAZRFGSOLGZ-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000983904000 745482972 /nfs/dbraw/zinc/48/29/72/745482972.db2.gz JIOKRDMEVOAZEM-XSLAGTTESA-N 2 1 333.476 0.995 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000983904000 745482974 /nfs/dbraw/zinc/48/29/74/745482974.db2.gz JIOKRDMEVOAZEM-XSLAGTTESA-N 2 1 333.476 0.995 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001000991146 745956834 /nfs/dbraw/zinc/95/68/34/745956834.db2.gz GUBVXAOHSITLPQ-HNNXBMFYSA-N 2 1 331.420 0.495 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ocnc3C)C[C@H]21 ZINC000978277079 746138096 /nfs/dbraw/zinc/13/80/96/746138096.db2.gz ACFZLGONTOBOCC-NXOAAHMSSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ocnc3C)C[C@H]21 ZINC000978277079 746138101 /nfs/dbraw/zinc/13/81/01/746138101.db2.gz ACFZLGONTOBOCC-NXOAAHMSSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ocnc3C)C[C@H]21 ZINC000978277079 746138106 /nfs/dbraw/zinc/13/81/06/746138106.db2.gz ACFZLGONTOBOCC-NXOAAHMSSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ocnc3C)C[C@H]21 ZINC000978277079 746138115 /nfs/dbraw/zinc/13/81/15/746138115.db2.gz ACFZLGONTOBOCC-NXOAAHMSSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665361 746169124 /nfs/dbraw/zinc/16/91/24/746169124.db2.gz LKPLIRMGNDAYRR-FNYPPERVSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665361 746169125 /nfs/dbraw/zinc/16/91/25/746169125.db2.gz LKPLIRMGNDAYRR-FNYPPERVSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665361 746169127 /nfs/dbraw/zinc/16/91/27/746169127.db2.gz LKPLIRMGNDAYRR-FNYPPERVSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001001492543 746430548 /nfs/dbraw/zinc/43/05/48/746430548.db2.gz SJSIFTSWSATFOB-HOTGVXAUSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001001492543 746430550 /nfs/dbraw/zinc/43/05/50/746430550.db2.gz SJSIFTSWSATFOB-HOTGVXAUSA-N 2 1 334.464 0.176 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC000984802907 746973413 /nfs/dbraw/zinc/97/34/13/746973413.db2.gz FHKRSZZJIYLJEB-VQHPVUNQSA-N 2 1 348.491 0.600 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154419 747546976 /nfs/dbraw/zinc/54/69/76/747546976.db2.gz LWSVWVLIESIACX-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001002825714 747838524 /nfs/dbraw/zinc/83/85/24/747838524.db2.gz GBFGGGSDGROYQT-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001002825714 747838533 /nfs/dbraw/zinc/83/85/33/747838533.db2.gz GBFGGGSDGROYQT-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001002825714 747838543 /nfs/dbraw/zinc/83/85/43/747838543.db2.gz GBFGGGSDGROYQT-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001002825714 747838552 /nfs/dbraw/zinc/83/85/52/747838552.db2.gz GBFGGGSDGROYQT-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261691266 752236274 /nfs/dbraw/zinc/23/62/74/752236274.db2.gz IKEOIWDNWQXTMP-HZPDHXFCSA-N 2 1 340.468 0.021 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985475012 748210628 /nfs/dbraw/zinc/21/06/28/748210628.db2.gz JFRPKIHPZXTFMH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985475012 748210630 /nfs/dbraw/zinc/21/06/30/748210630.db2.gz JFRPKIHPZXTFMH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985475012 748210639 /nfs/dbraw/zinc/21/06/39/748210639.db2.gz JFRPKIHPZXTFMH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000985475012 748210643 /nfs/dbraw/zinc/21/06/43/748210643.db2.gz JFRPKIHPZXTFMH-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC000979721305 748285253 /nfs/dbraw/zinc/28/52/53/748285253.db2.gz YPYYYOMRXHRYPQ-YESZJQIVSA-N 2 1 343.475 0.908 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC000979721301 748285522 /nfs/dbraw/zinc/28/55/22/748285522.db2.gz YPYYYOMRXHRYPQ-GVDBMIGSSA-N 2 1 343.475 0.908 20 30 ECEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262553042 748440011 /nfs/dbraw/zinc/44/00/11/748440011.db2.gz ZMTVHQJBRWTALS-CQSZACIVSA-N 2 1 333.436 0.820 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790438 749107932 /nfs/dbraw/zinc/10/79/32/749107932.db2.gz HHLIOXWBZNYENP-WBVHZDCISA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790438 749107937 /nfs/dbraw/zinc/10/79/37/749107937.db2.gz HHLIOXWBZNYENP-WBVHZDCISA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790438 749107941 /nfs/dbraw/zinc/10/79/41/749107941.db2.gz HHLIOXWBZNYENP-WBVHZDCISA-N 2 1 348.491 0.648 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262659764 749222039 /nfs/dbraw/zinc/22/20/39/749222039.db2.gz MQBBYZOXFDACBD-KGLIPLIRSA-N 2 1 345.513 0.189 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001168139001 749541564 /nfs/dbraw/zinc/54/15/64/749541564.db2.gz WMOUFTJWCTVRTE-JKSUJKDBSA-N 2 1 348.491 0.601 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914104 749586537 /nfs/dbraw/zinc/58/65/37/749586537.db2.gz QWPALEQHKCSBNJ-HOTGVXAUSA-N 2 1 345.447 0.450 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029971210 750155887 /nfs/dbraw/zinc/15/58/87/750155887.db2.gz RHVLYZGWBJDWOY-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029971210 750155891 /nfs/dbraw/zinc/15/58/91/750155891.db2.gz RHVLYZGWBJDWOY-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@H]2CCNC2=O)CC1 ZINC001029971210 750155896 /nfs/dbraw/zinc/15/58/96/750155896.db2.gz RHVLYZGWBJDWOY-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@H]2CCNC2=O)CC1 ZINC001029971210 750155902 /nfs/dbraw/zinc/15/59/02/750155902.db2.gz RHVLYZGWBJDWOY-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)[C@H]2C)CC1 ZINC000987574560 750975985 /nfs/dbraw/zinc/97/59/85/750975985.db2.gz FHMQKXSSTWNDFD-ZBFHGGJFSA-N 2 1 345.447 0.802 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644532 752526018 /nfs/dbraw/zinc/52/60/18/752526018.db2.gz CPIYQHXKNXKFME-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644532 752526024 /nfs/dbraw/zinc/52/60/24/752526024.db2.gz CPIYQHXKNXKFME-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493410 762200047 /nfs/dbraw/zinc/20/00/47/762200047.db2.gz JUGJFPYYOOAODK-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001105372409 753675070 /nfs/dbraw/zinc/67/50/70/753675070.db2.gz FSAHMUUVXABKJS-UHFFFAOYSA-N 2 1 343.435 0.922 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001105375857 753833621 /nfs/dbraw/zinc/83/36/21/753833621.db2.gz RYQKCWXSKRHJCV-MRXNPFEDSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001105375857 753833627 /nfs/dbraw/zinc/83/36/27/753833627.db2.gz RYQKCWXSKRHJCV-MRXNPFEDSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778484 755083896 /nfs/dbraw/zinc/08/38/96/755083896.db2.gz IEXVLWCJGOGXQH-RDJZCZTQSA-N 2 1 348.491 0.553 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC000983324103 755213091 /nfs/dbraw/zinc/21/30/91/755213091.db2.gz ZHXKXVZKOVDZDC-VGWMRTNUSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC001076604569 756723632 /nfs/dbraw/zinc/72/36/32/756723632.db2.gz MLSHEKAGNSEKHZ-RYQLBKOJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2conc2C)C1 ZINC001051659881 762616797 /nfs/dbraw/zinc/61/67/97/762616797.db2.gz FHEOJPYYHOCMKP-SJORKVTESA-N 2 1 346.431 0.398 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2conc2C)C1 ZINC001051659881 762616800 /nfs/dbraw/zinc/61/68/00/762616800.db2.gz FHEOJPYYHOCMKP-SJORKVTESA-N 2 1 346.431 0.398 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)C1=O ZINC001049212300 758323304 /nfs/dbraw/zinc/32/33/04/758323304.db2.gz AVKAEWUBZIXQPA-MWDXBVQZSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212300 758323309 /nfs/dbraw/zinc/32/33/09/758323309.db2.gz AVKAEWUBZIXQPA-MWDXBVQZSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212300 758323320 /nfs/dbraw/zinc/32/33/20/758323320.db2.gz AVKAEWUBZIXQPA-MWDXBVQZSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)C1=O ZINC001049212304 758323391 /nfs/dbraw/zinc/32/33/91/758323391.db2.gz AVKAEWUBZIXQPA-NCOADZHNSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212304 758323401 /nfs/dbraw/zinc/32/34/01/758323401.db2.gz AVKAEWUBZIXQPA-NCOADZHNSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212304 758323409 /nfs/dbraw/zinc/32/34/09/758323409.db2.gz AVKAEWUBZIXQPA-NCOADZHNSA-N 2 1 346.475 0.115 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001051660621 762620150 /nfs/dbraw/zinc/62/01/50/762620150.db2.gz YMCKCNSLYORHAX-MSOLQXFVSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001051660621 762620151 /nfs/dbraw/zinc/62/01/51/762620151.db2.gz YMCKCNSLYORHAX-MSOLQXFVSA-N 2 1 342.443 0.496 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001022163932 758363911 /nfs/dbraw/zinc/36/39/11/758363911.db2.gz BYSWQOJGNYEXPN-YYIAUSFCSA-N 2 1 348.491 0.885 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127779568 758625479 /nfs/dbraw/zinc/62/54/79/758625479.db2.gz OFMSMSLPAHCPMV-IUODEOHRSA-N 2 1 334.445 0.689 20 30 ECEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099346 759700658 /nfs/dbraw/zinc/70/06/58/759700658.db2.gz BHOADEAQDGDBDS-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099346 759700662 /nfs/dbraw/zinc/70/06/62/759700662.db2.gz BHOADEAQDGDBDS-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099346 759700667 /nfs/dbraw/zinc/70/06/67/759700667.db2.gz BHOADEAQDGDBDS-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066113 760687395 /nfs/dbraw/zinc/68/73/95/760687395.db2.gz JNWQFMKJRFSULD-MRXNPFEDSA-N 2 1 338.496 0.990 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@@H+](CCO)C2 ZINC001051290534 761836466 /nfs/dbraw/zinc/83/64/66/761836466.db2.gz PJIPPFZHCVHUNL-IBGZPJMESA-N 2 1 341.455 0.751 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](CCO)C2 ZINC001051290534 761836474 /nfs/dbraw/zinc/83/64/74/761836474.db2.gz PJIPPFZHCVHUNL-IBGZPJMESA-N 2 1 341.455 0.751 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[NH+](CCO)C2 ZINC001051290534 761836477 /nfs/dbraw/zinc/83/64/77/761836477.db2.gz PJIPPFZHCVHUNL-IBGZPJMESA-N 2 1 341.455 0.751 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc2c1CC[NH+](CCO)C2 ZINC001051290534 761836484 /nfs/dbraw/zinc/83/64/84/761836484.db2.gz PJIPPFZHCVHUNL-IBGZPJMESA-N 2 1 341.455 0.751 20 30 ECEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310606 768134777 /nfs/dbraw/zinc/13/47/77/768134777.db2.gz VBBCFSXYJKQSOQ-QBPKDAKJSA-N 2 1 337.464 0.039 20 30 ECEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310606 768134779 /nfs/dbraw/zinc/13/47/79/768134779.db2.gz VBBCFSXYJKQSOQ-QBPKDAKJSA-N 2 1 337.464 0.039 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046995373 763534134 /nfs/dbraw/zinc/53/41/34/763534134.db2.gz IOCVCPOQRYCMRJ-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995373 763534139 /nfs/dbraw/zinc/53/41/39/763534139.db2.gz IOCVCPOQRYCMRJ-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995373 763534145 /nfs/dbraw/zinc/53/41/45/763534145.db2.gz IOCVCPOQRYCMRJ-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995373 763534151 /nfs/dbraw/zinc/53/41/51/763534151.db2.gz IOCVCPOQRYCMRJ-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573527 764783386 /nfs/dbraw/zinc/78/33/86/764783386.db2.gz XVSLKINVPWDLAL-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573527 764783389 /nfs/dbraw/zinc/78/33/89/764783389.db2.gz XVSLKINVPWDLAL-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573527 764783395 /nfs/dbraw/zinc/78/33/95/764783395.db2.gz XVSLKINVPWDLAL-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C13CCC[NH+]1CCC3)O2 ZINC001053624645 766465480 /nfs/dbraw/zinc/46/54/80/766465480.db2.gz YNIVLPMPNFSWNU-INIZCTEOSA-N 2 1 331.460 0.988 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](CCCO)C3)O2)CC1 ZINC001053699117 766615695 /nfs/dbraw/zinc/61/56/95/766615695.db2.gz AYPVADIVGIGUOO-KRWDZBQOSA-N 2 1 349.475 0.064 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001046036277 766725068 /nfs/dbraw/zinc/72/50/68/766725068.db2.gz FMKWSWQXOWWJJW-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001046036277 766725070 /nfs/dbraw/zinc/72/50/70/766725070.db2.gz FMKWSWQXOWWJJW-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCC)C2)CC1 ZINC001046036277 766725075 /nfs/dbraw/zinc/72/50/75/766725075.db2.gz FMKWSWQXOWWJJW-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCC)C2)CC1 ZINC001046036277 766725078 /nfs/dbraw/zinc/72/50/78/766725078.db2.gz FMKWSWQXOWWJJW-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036392 766726586 /nfs/dbraw/zinc/72/65/86/766726586.db2.gz ITHJBNGZAXKAJO-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046036392 766726595 /nfs/dbraw/zinc/72/65/95/766726595.db2.gz ITHJBNGZAXKAJO-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046036392 766726604 /nfs/dbraw/zinc/72/66/04/766726604.db2.gz ITHJBNGZAXKAJO-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039112 766741100 /nfs/dbraw/zinc/74/11/00/766741100.db2.gz SBEFOFYFYMLBHV-BRWVUGGUSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039112 766741106 /nfs/dbraw/zinc/74/11/06/766741106.db2.gz SBEFOFYFYMLBHV-BRWVUGGUSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039112 766741113 /nfs/dbraw/zinc/74/11/13/766741113.db2.gz SBEFOFYFYMLBHV-BRWVUGGUSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039112 766741117 /nfs/dbraw/zinc/74/11/17/766741117.db2.gz SBEFOFYFYMLBHV-BRWVUGGUSA-N 2 1 336.480 0.110 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046063917 766839521 /nfs/dbraw/zinc/83/95/21/766839521.db2.gz BVLLLZACZXUXGT-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046063917 766839532 /nfs/dbraw/zinc/83/95/32/766839532.db2.gz BVLLLZACZXUXGT-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046063917 766839541 /nfs/dbraw/zinc/83/95/41/766839541.db2.gz BVLLLZACZXUXGT-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077459 766908282 /nfs/dbraw/zinc/90/82/82/766908282.db2.gz WLLLLGOKYGDUCB-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077459 766908284 /nfs/dbraw/zinc/90/82/84/766908284.db2.gz WLLLLGOKYGDUCB-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077459 766908289 /nfs/dbraw/zinc/90/82/89/766908289.db2.gz WLLLLGOKYGDUCB-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031740838 766987071 /nfs/dbraw/zinc/98/70/71/766987071.db2.gz LMMMADOHAFVDBT-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031740838 766987074 /nfs/dbraw/zinc/98/70/74/766987074.db2.gz LMMMADOHAFVDBT-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001077566546 767196759 /nfs/dbraw/zinc/19/67/59/767196759.db2.gz FPDJURHLARIXED-BZUAXINKSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566546 767196760 /nfs/dbraw/zinc/19/67/60/767196760.db2.gz FPDJURHLARIXED-BZUAXINKSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566546 767196761 /nfs/dbraw/zinc/19/67/61/767196761.db2.gz FPDJURHLARIXED-BZUAXINKSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566546 767196764 /nfs/dbraw/zinc/19/67/64/767196764.db2.gz FPDJURHLARIXED-BZUAXINKSA-N 2 1 325.453 0.223 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055592527 769202566 /nfs/dbraw/zinc/20/25/66/769202566.db2.gz SJTQEWWGPRXXPV-AWEZNQCLSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055602154 769233900 /nfs/dbraw/zinc/23/39/00/769233900.db2.gz RIJMQELSNKTSLS-GJZGRUSLSA-N 2 1 349.479 0.185 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001055642867 769332016 /nfs/dbraw/zinc/33/20/16/769332016.db2.gz PKZICHKITHVSJM-UHFFFAOYSA-N 2 1 338.496 0.991 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000993806235 769650224 /nfs/dbraw/zinc/65/02/24/769650224.db2.gz KUMYMURGYPQNQT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000993806235 769650227 /nfs/dbraw/zinc/65/02/27/769650227.db2.gz KUMYMURGYPQNQT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000993806235 769650232 /nfs/dbraw/zinc/65/02/32/769650232.db2.gz KUMYMURGYPQNQT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000993806235 769650240 /nfs/dbraw/zinc/65/02/40/769650240.db2.gz KUMYMURGYPQNQT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001018985809 770483572 /nfs/dbraw/zinc/48/35/72/770483572.db2.gz GMQQVPBDHOQRFX-RDJZCZTQSA-N 2 1 327.432 0.573 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001018985809 770483578 /nfs/dbraw/zinc/48/35/78/770483578.db2.gz GMQQVPBDHOQRFX-RDJZCZTQSA-N 2 1 327.432 0.573 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001019258582 771069454 /nfs/dbraw/zinc/06/94/54/771069454.db2.gz HGJADFPYHKMNCJ-XHSDSOJGSA-N 2 1 334.464 0.448 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001019800393 771813509 /nfs/dbraw/zinc/81/35/09/771813509.db2.gz IPGKLVZXGUORBQ-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001019800393 771813514 /nfs/dbraw/zinc/81/35/14/771813514.db2.gz IPGKLVZXGUORBQ-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001020250880 772351604 /nfs/dbraw/zinc/35/16/04/772351604.db2.gz VQQPBFZMHQCODZ-ULQDDVLXSA-N 2 1 346.475 0.333 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001020250880 772351608 /nfs/dbraw/zinc/35/16/08/772351608.db2.gz VQQPBFZMHQCODZ-ULQDDVLXSA-N 2 1 346.475 0.333 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070096142 790591443 /nfs/dbraw/zinc/59/14/43/790591443.db2.gz KCEYMDKIAGUEGP-CVEARBPZSA-N 2 1 343.435 0.791 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070096142 790591455 /nfs/dbraw/zinc/59/14/55/790591455.db2.gz KCEYMDKIAGUEGP-CVEARBPZSA-N 2 1 343.435 0.791 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070413207 784008539 /nfs/dbraw/zinc/00/85/39/784008539.db2.gz WQGSJDMJMDBMFT-IIAWOOMASA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070413207 784008548 /nfs/dbraw/zinc/00/85/48/784008548.db2.gz WQGSJDMJMDBMFT-IIAWOOMASA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070413207 784008562 /nfs/dbraw/zinc/00/85/62/784008562.db2.gz WQGSJDMJMDBMFT-IIAWOOMASA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070413207 784008567 /nfs/dbraw/zinc/00/85/67/784008567.db2.gz WQGSJDMJMDBMFT-IIAWOOMASA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001070498446 784194748 /nfs/dbraw/zinc/19/47/48/784194748.db2.gz IBCVZLVOYKVWTH-JQHSSLGASA-N 2 1 343.475 0.812 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070689625 784555923 /nfs/dbraw/zinc/55/59/23/784555923.db2.gz IAZLTZNWJOXZII-BZUAXINKSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@@H](C)O2 ZINC001071244285 784822118 /nfs/dbraw/zinc/82/21/18/784822118.db2.gz SKSKRVRXMJBJAQ-YLJYHZDGSA-N 2 1 343.471 0.657 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096252 785660772 /nfs/dbraw/zinc/66/07/72/785660772.db2.gz WAGSGYQMQBUWKG-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096252 785660774 /nfs/dbraw/zinc/66/07/74/785660774.db2.gz WAGSGYQMQBUWKG-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCF)CCCO1 ZINC001073639484 786842775 /nfs/dbraw/zinc/84/27/75/786842775.db2.gz HEYGKGROZDUZRE-HOTGVXAUSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001073639484 786842788 /nfs/dbraw/zinc/84/27/88/786842788.db2.gz HEYGKGROZDUZRE-HOTGVXAUSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCF)CCCO1 ZINC001073639484 786842799 /nfs/dbraw/zinc/84/27/99/786842799.db2.gz HEYGKGROZDUZRE-HOTGVXAUSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCF)CCCO1 ZINC001073639484 786842811 /nfs/dbraw/zinc/84/28/11/786842811.db2.gz HEYGKGROZDUZRE-HOTGVXAUSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCF)CCCO2)CC1 ZINC001073899060 787474172 /nfs/dbraw/zinc/47/41/72/787474172.db2.gz KCEOXRZNMWZIDK-KRWDZBQOSA-N 2 1 339.455 0.898 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531322 837703644 /nfs/dbraw/zinc/70/36/44/837703644.db2.gz QBEVXTGXMOCYBX-JKSUJKDBSA-N 2 1 349.479 0.327 20 30 ECEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557596 837765474 /nfs/dbraw/zinc/76/54/74/837765474.db2.gz IXEZDMZWZLMLMZ-CVEARBPZSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557596 837765477 /nfs/dbraw/zinc/76/54/77/837765477.db2.gz IXEZDMZWZLMLMZ-CVEARBPZSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557596 837765481 /nfs/dbraw/zinc/76/54/81/837765481.db2.gz IXEZDMZWZLMLMZ-CVEARBPZSA-N 2 1 349.479 0.329 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001266382279 835793075 /nfs/dbraw/zinc/79/30/75/835793075.db2.gz KRCSAZNNUQQCID-HNNXBMFYSA-N 2 1 336.480 0.600 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266751028 836242829 /nfs/dbraw/zinc/24/28/29/836242829.db2.gz ASLIIEBXAUWNML-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751028 836242836 /nfs/dbraw/zinc/24/28/36/836242836.db2.gz ASLIIEBXAUWNML-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751028 836242844 /nfs/dbraw/zinc/24/28/44/836242844.db2.gz ASLIIEBXAUWNML-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001266949161 836511015 /nfs/dbraw/zinc/51/10/15/836511015.db2.gz HHSGHYNOZNEMBU-SJORKVTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001266949161 836511028 /nfs/dbraw/zinc/51/10/28/836511028.db2.gz HHSGHYNOZNEMBU-SJORKVTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC#CCOC)C2)CC1 ZINC001267114385 836805267 /nfs/dbraw/zinc/80/52/67/836805267.db2.gz FCMVFQHOSIIKIF-LJQANCHMSA-N 2 1 345.487 0.904 20 30 ECEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC#CCOC ZINC001267268673 837105234 /nfs/dbraw/zinc/10/52/34/837105234.db2.gz CWCQIFGTNHVZNV-JKSUJKDBSA-N 2 1 327.444 0.897 20 30 ECEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001267268673 837105240 /nfs/dbraw/zinc/10/52/40/837105240.db2.gz CWCQIFGTNHVZNV-JKSUJKDBSA-N 2 1 327.444 0.897 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267585774 837861475 /nfs/dbraw/zinc/86/14/75/837861475.db2.gz CEMSTMCDXYORBS-MRXNPFEDSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000491671254 275380194 /nfs/dbraw/zinc/38/01/94/275380194.db2.gz QABHDYUJLNKNEM-ZDUSSCGKSA-N 2 1 349.401 0.077 20 30 ECEDMP N#Cc1cnn2cc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cnc12 ZINC000552771331 302397399 /nfs/dbraw/zinc/39/73/99/302397399.db2.gz PPFQEUNECNPPPT-CQSZACIVSA-N 2 1 341.419 0.278 20 30 ECEDMP N#Cc1cnn2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cnc12 ZINC000552771331 302397400 /nfs/dbraw/zinc/39/74/00/302397400.db2.gz PPFQEUNECNPPPT-CQSZACIVSA-N 2 1 341.419 0.278 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261656265 436881361 /nfs/dbraw/zinc/88/13/61/436881361.db2.gz FLRUDBKXGFXSEG-AWEZNQCLSA-N 2 1 347.467 0.128 20 30 ECEDMP CCCOc1ncccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264093668 437016630 /nfs/dbraw/zinc/01/66/30/437016630.db2.gz LXACWRNCLJFFHN-UHFFFAOYSA-N 2 1 335.452 0.997 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733031 437640386 /nfs/dbraw/zinc/64/03/86/437640386.db2.gz AHJJJSPCWKVHDV-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000343908243 437690580 /nfs/dbraw/zinc/69/05/80/437690580.db2.gz IUMVRSZRYKUBPU-OAHLLOKOSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344140300 437736689 /nfs/dbraw/zinc/73/66/89/437736689.db2.gz ZVRSEDZCTHPWOA-UHFFFAOYSA-N 2 1 339.484 0.348 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344140300 437736691 /nfs/dbraw/zinc/73/66/91/437736691.db2.gz ZVRSEDZCTHPWOA-UHFFFAOYSA-N 2 1 339.484 0.348 20 30 ECEDMP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378426553 438385063 /nfs/dbraw/zinc/38/50/63/438385063.db2.gz HYGBMWVAHHRDDK-OAHLLOKOSA-N 2 1 337.468 0.099 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369273831 438444981 /nfs/dbraw/zinc/44/49/81/438444981.db2.gz JXGZDPKEYHWKBU-QGZVFWFLSA-N 2 1 332.492 0.616 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369273831 438444986 /nfs/dbraw/zinc/44/49/86/438444986.db2.gz JXGZDPKEYHWKBU-QGZVFWFLSA-N 2 1 332.492 0.616 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422291523 438545687 /nfs/dbraw/zinc/54/56/87/438545687.db2.gz DOVVREHMBFNMQM-MRXNPFEDSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000580888012 439141871 /nfs/dbraw/zinc/14/18/71/439141871.db2.gz SWCSTFPWYSDNNT-HNNXBMFYSA-N 2 1 343.427 0.884 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000491350061 439370638 /nfs/dbraw/zinc/37/06/38/439370638.db2.gz LVCCFLPPDIXGDM-UHFFFAOYSA-N 2 1 329.448 0.518 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000491404348 439377888 /nfs/dbraw/zinc/37/78/88/439377888.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 2 1 337.512 0.609 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000491404348 439377893 /nfs/dbraw/zinc/37/78/93/439377893.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 2 1 337.512 0.609 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000491404348 439377900 /nfs/dbraw/zinc/37/79/00/439377900.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 2 1 337.512 0.609 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000491404348 439377905 /nfs/dbraw/zinc/37/79/05/439377905.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 2 1 337.512 0.609 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000491404348 439377910 /nfs/dbraw/zinc/37/79/10/439377910.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 2 1 337.512 0.609 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735982 439457122 /nfs/dbraw/zinc/45/71/22/439457122.db2.gz CHQLYRVVWYQMIB-BYNSBNAKSA-N 2 1 338.452 0.605 20 30 ECEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000572842043 439611874 /nfs/dbraw/zinc/61/18/74/439611874.db2.gz OCCJSNUZVAJQEZ-ZWKOTPCHSA-N 2 1 347.459 0.929 20 30 ECEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740620 439697601 /nfs/dbraw/zinc/69/76/01/439697601.db2.gz ZNRLDFPQEUZTCS-CVEARBPZSA-N 2 1 325.453 0.494 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000647028705 439973727 /nfs/dbraw/zinc/97/37/27/439973727.db2.gz CZFOUVDKXKBGDZ-MRXNPFEDSA-N 2 1 336.480 0.696 20 30 ECEDMP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000852903322 589523901 /nfs/dbraw/zinc/52/39/01/589523901.db2.gz ZAXKPKFHUPEFLG-IBGZPJMESA-N 2 1 341.455 0.872 20 30 ECEDMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756530 590409700 /nfs/dbraw/zinc/40/97/00/590409700.db2.gz UGNDLONUKOLOAJ-NVXWUHKLSA-N 2 1 328.416 0.582 20 30 ECEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756530 590409703 /nfs/dbraw/zinc/40/97/03/590409703.db2.gz UGNDLONUKOLOAJ-NVXWUHKLSA-N 2 1 328.416 0.582 20 30 ECEDMP CC(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCOCC1 ZINC000884183776 590765889 /nfs/dbraw/zinc/76/58/89/590765889.db2.gz WXJKODIFFMHVRP-LPMVOBIJSA-N 2 1 334.464 0.599 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000890368215 591153754 /nfs/dbraw/zinc/15/37/54/591153754.db2.gz FOZYLUMUFJCQER-INIZCTEOSA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000890368215 591153758 /nfs/dbraw/zinc/15/37/58/591153758.db2.gz FOZYLUMUFJCQER-INIZCTEOSA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1 ZINC000946597869 611359505 /nfs/dbraw/zinc/35/95/05/611359505.db2.gz OBDKFEBIRLNBAW-CALCHBBNSA-N 2 1 343.475 0.862 20 30 ECEDMP Cc1noc(CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912505661 609962607 /nfs/dbraw/zinc/96/26/07/609962607.db2.gz CIQPMUSALUCOSJ-UHFFFAOYSA-N 2 1 338.456 0.934 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237408 610620769 /nfs/dbraw/zinc/62/07/69/610620769.db2.gz MVHFIIXDANVXTI-GDBMZVCRSA-N 2 1 348.491 0.422 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516605 610881601 /nfs/dbraw/zinc/88/16/01/610881601.db2.gz MHNZQCITPYVKQS-WBVHZDCISA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943517089 610881997 /nfs/dbraw/zinc/88/19/97/610881997.db2.gz OFMXWNKKVYOVIR-WBVHZDCISA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC000950755972 611891882 /nfs/dbraw/zinc/89/18/82/611891882.db2.gz YXJJPWPZHNOURL-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC000950755972 611891883 /nfs/dbraw/zinc/89/18/83/611891883.db2.gz YXJJPWPZHNOURL-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000951223844 612088812 /nfs/dbraw/zinc/08/88/12/612088812.db2.gz RBLLRLXMABMWQF-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951223844 612088814 /nfs/dbraw/zinc/08/88/14/612088814.db2.gz RBLLRLXMABMWQF-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951223844 612088816 /nfs/dbraw/zinc/08/88/16/612088816.db2.gz RBLLRLXMABMWQF-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951223844 612088819 /nfs/dbraw/zinc/08/88/19/612088819.db2.gz RBLLRLXMABMWQF-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954408243 612895988 /nfs/dbraw/zinc/89/59/88/612895988.db2.gz BQPNIMPCGBDLAT-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954408243 612895990 /nfs/dbraw/zinc/89/59/90/612895990.db2.gz BQPNIMPCGBDLAT-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408243 612895992 /nfs/dbraw/zinc/89/59/92/612895992.db2.gz BQPNIMPCGBDLAT-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954408243 612895997 /nfs/dbraw/zinc/89/59/97/612895997.db2.gz BQPNIMPCGBDLAT-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(N)=O)CC1 ZINC000969155946 731536228 /nfs/dbraw/zinc/53/62/28/731536228.db2.gz FVNAQCKJRPZWRU-INIZCTEOSA-N 2 1 334.464 0.178 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(N)=O)CC1 ZINC000969155946 731536229 /nfs/dbraw/zinc/53/62/29/731536229.db2.gz FVNAQCKJRPZWRU-INIZCTEOSA-N 2 1 334.464 0.178 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000969356333 731754417 /nfs/dbraw/zinc/75/44/17/731754417.db2.gz CWURBKPKYAHOJW-HUUCEWRRSA-N 2 1 331.420 0.169 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970745109 733901774 /nfs/dbraw/zinc/90/17/74/733901774.db2.gz JEBHVTYONKKPHT-GDBMZVCRSA-N 2 1 346.475 0.306 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC000971703713 734965092 /nfs/dbraw/zinc/96/50/92/734965092.db2.gz MBGSIHDICTYCPY-SJORKVTESA-N 2 1 329.448 0.550 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccn(C)n2)C1 ZINC000971703713 734965095 /nfs/dbraw/zinc/96/50/95/734965095.db2.gz MBGSIHDICTYCPY-SJORKVTESA-N 2 1 329.448 0.550 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422336 735928011 /nfs/dbraw/zinc/92/80/11/735928011.db2.gz MKVINNITRXTPKY-GDBMZVCRSA-N 2 1 345.447 0.015 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380128 736047967 /nfs/dbraw/zinc/04/79/67/736047967.db2.gz FFHWNVKVRZEZEC-HKUYNNGSSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380128 736047974 /nfs/dbraw/zinc/04/79/74/736047974.db2.gz FFHWNVKVRZEZEC-HKUYNNGSSA-N 2 1 331.460 0.655 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001022975454 736346481 /nfs/dbraw/zinc/34/64/81/736346481.db2.gz LXXPOQYDXBPKGS-LVQVYYBASA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001023424474 736812959 /nfs/dbraw/zinc/81/29/59/736812959.db2.gz ZNIWRSJGHVVUPK-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001023424474 736812961 /nfs/dbraw/zinc/81/29/61/736812961.db2.gz ZNIWRSJGHVVUPK-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cnn(C)c2)C1 ZINC001023424474 736812963 /nfs/dbraw/zinc/81/29/63/736812963.db2.gz ZNIWRSJGHVVUPK-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cnn(C)c2)C1 ZINC001023424474 736812967 /nfs/dbraw/zinc/81/29/67/736812967.db2.gz ZNIWRSJGHVVUPK-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001024022494 737627345 /nfs/dbraw/zinc/62/73/45/737627345.db2.gz ZJBKIRXCKBPJTL-HOCLYGCPSA-N 2 1 347.488 0.964 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001024022494 737627346 /nfs/dbraw/zinc/62/73/46/737627346.db2.gz ZJBKIRXCKBPJTL-HOCLYGCPSA-N 2 1 347.488 0.964 20 30 ECEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560675 738107237 /nfs/dbraw/zinc/10/72/37/738107237.db2.gz HXESSOUBRRBMIZ-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560675 738107240 /nfs/dbraw/zinc/10/72/40/738107240.db2.gz HXESSOUBRRBMIZ-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560675 738107241 /nfs/dbraw/zinc/10/72/41/738107241.db2.gz HXESSOUBRRBMIZ-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425395 739482312 /nfs/dbraw/zinc/48/23/12/739482312.db2.gz PJKNJTRXUYDLHQ-HOTGVXAUSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CC[N@H+](CCO)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001098516014 751497546 /nfs/dbraw/zinc/49/75/46/751497546.db2.gz OLCPZGOCSBJDII-UHFFFAOYSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797763 739966173 /nfs/dbraw/zinc/96/61/73/739966173.db2.gz LJBDOBWXUZVLFX-SBJFKYEJSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797763 739966175 /nfs/dbraw/zinc/96/61/75/739966175.db2.gz LJBDOBWXUZVLFX-SBJFKYEJSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797763 739966178 /nfs/dbraw/zinc/96/61/78/739966178.db2.gz LJBDOBWXUZVLFX-SBJFKYEJSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797763 739966179 /nfs/dbraw/zinc/96/61/79/739966179.db2.gz LJBDOBWXUZVLFX-SBJFKYEJSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797764 739966224 /nfs/dbraw/zinc/96/62/24/739966224.db2.gz LJBDOBWXUZVLFX-VQJWOFKYSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797764 739966229 /nfs/dbraw/zinc/96/62/29/739966229.db2.gz LJBDOBWXUZVLFX-VQJWOFKYSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025797764 739966233 /nfs/dbraw/zinc/96/62/33/739966233.db2.gz LJBDOBWXUZVLFX-VQJWOFKYSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025797764 739966236 /nfs/dbraw/zinc/96/62/36/739966236.db2.gz LJBDOBWXUZVLFX-VQJWOFKYSA-N 2 1 325.840 0.649 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240503 741531602 /nfs/dbraw/zinc/53/16/02/741531602.db2.gz PNTYZNBMTXQUBW-ZBFHGGJFSA-N 2 1 344.463 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240503 741531605 /nfs/dbraw/zinc/53/16/05/741531605.db2.gz PNTYZNBMTXQUBW-ZBFHGGJFSA-N 2 1 344.463 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276178 741628830 /nfs/dbraw/zinc/62/88/30/741628830.db2.gz BKYHTVALUZWYRK-UHFFFAOYSA-N 2 1 330.436 0.565 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC001026893973 742039256 /nfs/dbraw/zinc/03/92/56/742039256.db2.gz SLTPCIQAAQZDPF-GJZGRUSLSA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC001026893973 742039263 /nfs/dbraw/zinc/03/92/63/742039263.db2.gz SLTPCIQAAQZDPF-GJZGRUSLSA-N 2 1 347.488 0.882 20 30 ECEDMP C[C@@H]1[C@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)CC[N@H+]1C ZINC000996775735 742842585 /nfs/dbraw/zinc/84/25/85/742842585.db2.gz HVSWDNSZGCRWOI-AQEOSJORSA-N 2 1 347.507 0.895 20 30 ECEDMP C[N@H+]1CC[C@H](CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996795049 742875341 /nfs/dbraw/zinc/87/53/41/742875341.db2.gz ICBNEORUNJNPHW-WWDZGPRUSA-N 2 1 347.507 0.897 20 30 ECEDMP Cc1nnc(CNC(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)=[NH+]C2CC2)n1C ZINC000261967823 743197453 /nfs/dbraw/zinc/19/74/53/743197453.db2.gz LWBBTKMKZKOCNA-XHDPSFHLSA-N 2 1 331.468 0.804 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000997830870 743841796 /nfs/dbraw/zinc/84/17/96/743841796.db2.gz CSPMTXYRBORMBD-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000997830870 743841801 /nfs/dbraw/zinc/84/18/01/743841801.db2.gz CSPMTXYRBORMBD-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997830947 743842322 /nfs/dbraw/zinc/84/23/22/743842322.db2.gz DYYIUFSOSXEPGR-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997830947 743842325 /nfs/dbraw/zinc/84/23/25/743842325.db2.gz DYYIUFSOSXEPGR-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000998197197 744044895 /nfs/dbraw/zinc/04/48/95/744044895.db2.gz KNKJALQWQUTWTE-QGZVFWFLSA-N 2 1 348.491 0.520 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC000982299135 751910000 /nfs/dbraw/zinc/91/00/00/751910000.db2.gz XCYMMMFGXYWXOJ-JFRXWTBNSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC000982299135 751910009 /nfs/dbraw/zinc/91/00/09/751910009.db2.gz XCYMMMFGXYWXOJ-JFRXWTBNSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC000982299135 751910016 /nfs/dbraw/zinc/91/00/16/751910016.db2.gz XCYMMMFGXYWXOJ-JFRXWTBNSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@@H](C)O)C[C@]2(C)C1 ZINC000982299135 751910023 /nfs/dbraw/zinc/91/00/23/751910023.db2.gz XCYMMMFGXYWXOJ-JFRXWTBNSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@@H](C)O)C[C@]2(C)C1 ZINC000982299135 751910028 /nfs/dbraw/zinc/91/00/28/751910028.db2.gz XCYMMMFGXYWXOJ-JFRXWTBNSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999392657 744672387 /nfs/dbraw/zinc/67/23/87/744672387.db2.gz RVZVIGSOYZNXIA-AEFFLSMTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999392657 744672391 /nfs/dbraw/zinc/67/23/91/744672391.db2.gz RVZVIGSOYZNXIA-AEFFLSMTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999392779 744672419 /nfs/dbraw/zinc/67/24/19/744672419.db2.gz URFWZTBOQAAGRQ-MSOLQXFVSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999392779 744672423 /nfs/dbraw/zinc/67/24/23/744672423.db2.gz URFWZTBOQAAGRQ-MSOLQXFVSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986215 745140328 /nfs/dbraw/zinc/14/03/28/745140328.db2.gz FUCRJRDHBGFTEL-IXDOHACOSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986215 745140330 /nfs/dbraw/zinc/14/03/30/745140330.db2.gz FUCRJRDHBGFTEL-IXDOHACOSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986215 745140333 /nfs/dbraw/zinc/14/03/33/745140333.db2.gz FUCRJRDHBGFTEL-IXDOHACOSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999987984 745143580 /nfs/dbraw/zinc/14/35/80/745143580.db2.gz RRTZKKGABQECRK-FVQBIDKESA-N 2 1 330.436 0.115 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999987984 745143582 /nfs/dbraw/zinc/14/35/82/745143582.db2.gz RRTZKKGABQECRK-FVQBIDKESA-N 2 1 330.436 0.115 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999987984 745143585 /nfs/dbraw/zinc/14/35/85/745143585.db2.gz RRTZKKGABQECRK-FVQBIDKESA-N 2 1 330.436 0.115 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020236 745191410 /nfs/dbraw/zinc/19/14/10/745191410.db2.gz LEXLUOKASMRNAX-INIZCTEOSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000023278 745194631 /nfs/dbraw/zinc/19/46/31/745194631.db2.gz YZNNUMDFZYCBKQ-KRWDZBQOSA-N 2 1 344.463 0.506 20 30 ECEDMP C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261661138 751982206 /nfs/dbraw/zinc/98/22/06/751982206.db2.gz ARWVRHFVPCATCH-GDBMZVCRSA-N 2 1 337.512 0.745 20 30 ECEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000693227 745704766 /nfs/dbraw/zinc/70/47/66/745704766.db2.gz PVDFLMZPDQOVLU-UHFFFAOYSA-N 2 1 329.448 0.830 20 30 ECEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647913 746569611 /nfs/dbraw/zinc/56/96/11/746569611.db2.gz ZZSFDPDMRIPOKU-TVRKMHQQSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001003056729 748125400 /nfs/dbraw/zinc/12/54/00/748125400.db2.gz RAQWDGBIHVEGMQ-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985476910 748212322 /nfs/dbraw/zinc/21/23/22/748212322.db2.gz WHWIKKIGRRTWSC-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985476910 748212328 /nfs/dbraw/zinc/21/23/28/748212328.db2.gz WHWIKKIGRRTWSC-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H]2CCCNC2=O)CC1 ZINC000985476910 748212334 /nfs/dbraw/zinc/21/23/34/748212334.db2.gz WHWIKKIGRRTWSC-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H]2CCCNC2=O)CC1 ZINC000985476910 748212340 /nfs/dbraw/zinc/21/23/40/748212340.db2.gz WHWIKKIGRRTWSC-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=O)N2CCC2)CC1 ZINC000985476918 748212571 /nfs/dbraw/zinc/21/25/71/748212571.db2.gz WMARLOZIMOPCTB-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=O)N2CCC2)CC1 ZINC000985476918 748212574 /nfs/dbraw/zinc/21/25/74/748212574.db2.gz WMARLOZIMOPCTB-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=O)N2CCC2)CC1 ZINC000985476918 748212577 /nfs/dbraw/zinc/21/25/77/748212577.db2.gz WMARLOZIMOPCTB-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=O)N2CCC2)CC1 ZINC000985476918 748212581 /nfs/dbraw/zinc/21/25/81/748212581.db2.gz WMARLOZIMOPCTB-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000979966765 748758335 /nfs/dbraw/zinc/75/83/35/748758335.db2.gz FSGJXBCHKFGLJX-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979966765 748758339 /nfs/dbraw/zinc/75/83/39/748758339.db2.gz FSGJXBCHKFGLJX-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000979966765 748758341 /nfs/dbraw/zinc/75/83/41/748758341.db2.gz FSGJXBCHKFGLJX-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000979966765 748758346 /nfs/dbraw/zinc/75/83/46/748758346.db2.gz FSGJXBCHKFGLJX-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790436 749107460 /nfs/dbraw/zinc/10/74/60/749107460.db2.gz HHLIOXWBZNYENP-RDJZCZTQSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790436 749107468 /nfs/dbraw/zinc/10/74/68/749107468.db2.gz HHLIOXWBZNYENP-RDJZCZTQSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790436 749107474 /nfs/dbraw/zinc/10/74/74/749107474.db2.gz HHLIOXWBZNYENP-RDJZCZTQSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112208158 750123999 /nfs/dbraw/zinc/12/39/99/750123999.db2.gz OWNYRZLTUADXNG-MCIONIFRSA-N 2 1 347.381 0.709 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098682751 753684413 /nfs/dbraw/zinc/68/44/13/753684413.db2.gz GEGPALOTYRUTGX-KRWDZBQOSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001028601640 753883037 /nfs/dbraw/zinc/88/30/37/753883037.db2.gz RURAMFOEJLVUTP-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028601640 753883048 /nfs/dbraw/zinc/88/30/48/753883048.db2.gz RURAMFOEJLVUTP-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001028601640 753883057 /nfs/dbraw/zinc/88/30/57/753883057.db2.gz RURAMFOEJLVUTP-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001028601640 753883063 /nfs/dbraw/zinc/88/30/63/753883063.db2.gz RURAMFOEJLVUTP-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291019 754037488 /nfs/dbraw/zinc/03/74/88/754037488.db2.gz NXTULSLIOPOKGY-IYBDPMFKSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H]3CCOC3)CC2)CC1 ZINC000989734715 754365406 /nfs/dbraw/zinc/36/54/06/754365406.db2.gz AASLLBWBOWDAOG-KRWDZBQOSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C[C@@H](C)O2 ZINC001098662793 756340483 /nfs/dbraw/zinc/34/04/83/756340483.db2.gz LYUGWMXIKAKTNH-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C[C@@H](C)O2 ZINC001098662793 756340487 /nfs/dbraw/zinc/34/04/87/756340487.db2.gz LYUGWMXIKAKTNH-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345201 756395829 /nfs/dbraw/zinc/39/58/29/756395829.db2.gz UARPEJBVEGNFIU-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011314273 757488207 /nfs/dbraw/zinc/48/82/07/757488207.db2.gz QYLFCLXUDGCDAJ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001011314273 757488211 /nfs/dbraw/zinc/48/82/11/757488211.db2.gz QYLFCLXUDGCDAJ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001011314273 757488213 /nfs/dbraw/zinc/48/82/13/757488213.db2.gz QYLFCLXUDGCDAJ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001011314273 757488216 /nfs/dbraw/zinc/48/82/16/757488216.db2.gz QYLFCLXUDGCDAJ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000996608845 758216043 /nfs/dbraw/zinc/21/60/43/758216043.db2.gz TXLAITGHNWDHGD-DJIMGWMZSA-N 2 1 348.491 0.694 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001077125396 758291482 /nfs/dbraw/zinc/29/14/82/758291482.db2.gz UIBGLESTUXTAES-XHSDSOJGSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001077125396 758291492 /nfs/dbraw/zinc/29/14/92/758291492.db2.gz UIBGLESTUXTAES-XHSDSOJGSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001077125491 758293279 /nfs/dbraw/zinc/29/32/79/758293279.db2.gz VVDYLUUJERKOOP-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001077125491 758293286 /nfs/dbraw/zinc/29/32/86/758293286.db2.gz VVDYLUUJERKOOP-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001077125491 758293293 /nfs/dbraw/zinc/29/32/93/758293293.db2.gz VVDYLUUJERKOOP-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077125491 758293303 /nfs/dbraw/zinc/29/33/03/758293303.db2.gz VVDYLUUJERKOOP-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779618 758627615 /nfs/dbraw/zinc/62/76/15/758627615.db2.gz OZBCAXFMNNDFOI-RDJZCZTQSA-N 2 1 346.406 0.766 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC001022711978 759024635 /nfs/dbraw/zinc/02/46/35/759024635.db2.gz HQOUPNMUUNEUDR-CAOSSQGBSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001048590320 760766530 /nfs/dbraw/zinc/76/65/30/760766530.db2.gz MSIVYRRPOXGEER-VBUUOAMHSA-N 2 1 333.476 0.683 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOC)CCC1(F)F ZINC001046947697 763439392 /nfs/dbraw/zinc/43/93/92/763439392.db2.gz WFGPQOVVPXUTSL-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCC1(F)F ZINC001046947697 763439397 /nfs/dbraw/zinc/43/93/97/763439397.db2.gz WFGPQOVVPXUTSL-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOC)CCC1(F)F ZINC001046947697 763439402 /nfs/dbraw/zinc/43/94/02/763439402.db2.gz WFGPQOVVPXUTSL-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOC)CCC1(F)F ZINC001046947697 763439411 /nfs/dbraw/zinc/43/94/11/763439411.db2.gz WFGPQOVVPXUTSL-CABCVRRESA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001052037010 763651963 /nfs/dbraw/zinc/65/19/63/763651963.db2.gz AYPWNXSHRRHODT-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001052037010 763651967 /nfs/dbraw/zinc/65/19/67/763651967.db2.gz AYPWNXSHRRHODT-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047528169 764600989 /nfs/dbraw/zinc/60/09/89/764600989.db2.gz LWSPRAZNTGCIPW-RLFYNMQTSA-N 2 1 339.455 0.726 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047528169 764600993 /nfs/dbraw/zinc/60/09/93/764600993.db2.gz LWSPRAZNTGCIPW-RLFYNMQTSA-N 2 1 339.455 0.726 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528169 764600996 /nfs/dbraw/zinc/60/09/96/764600996.db2.gz LWSPRAZNTGCIPW-RLFYNMQTSA-N 2 1 339.455 0.726 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875068 764601778 /nfs/dbraw/zinc/60/17/78/764601778.db2.gz LAOCYEBDYZYRQO-MHORFTMASA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875068 764601784 /nfs/dbraw/zinc/60/17/84/764601784.db2.gz LAOCYEBDYZYRQO-MHORFTMASA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047539256 764632324 /nfs/dbraw/zinc/63/23/24/764632324.db2.gz GKKSWWRNROOHLD-XWSJACJDSA-N 2 1 341.455 0.469 20 30 ECEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047539256 764632332 /nfs/dbraw/zinc/63/23/32/764632332.db2.gz GKKSWWRNROOHLD-XWSJACJDSA-N 2 1 341.455 0.469 20 30 ECEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047539256 764632334 /nfs/dbraw/zinc/63/23/34/764632334.db2.gz GKKSWWRNROOHLD-XWSJACJDSA-N 2 1 341.455 0.469 20 30 ECEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047539256 764632340 /nfs/dbraw/zinc/63/23/40/764632340.db2.gz GKKSWWRNROOHLD-XWSJACJDSA-N 2 1 341.455 0.469 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344080 768336955 /nfs/dbraw/zinc/33/69/55/768336955.db2.gz FSUMGIAVLIXNFA-CVEARBPZSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028611 766691082 /nfs/dbraw/zinc/69/10/82/766691082.db2.gz CYHFWBFMCVIWCV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028611 766691086 /nfs/dbraw/zinc/69/10/86/766691086.db2.gz CYHFWBFMCVIWCV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028611 766691091 /nfs/dbraw/zinc/69/10/91/766691091.db2.gz CYHFWBFMCVIWCV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046032797 766707210 /nfs/dbraw/zinc/70/72/10/766707210.db2.gz NDNNUONEALBCNJ-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046032797 766707221 /nfs/dbraw/zinc/70/72/21/766707221.db2.gz NDNNUONEALBCNJ-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046032797 766707227 /nfs/dbraw/zinc/70/72/27/766707227.db2.gz NDNNUONEALBCNJ-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035445 766720820 /nfs/dbraw/zinc/72/08/20/766720820.db2.gz LZWMXVUTGXQPEJ-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512458 766750035 /nfs/dbraw/zinc/75/00/35/766750035.db2.gz SIKXRKHKQRCRAD-PKOBYXMFSA-N 2 1 333.476 0.827 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC001046076154 766901150 /nfs/dbraw/zinc/90/11/50/766901150.db2.gz JORUWIPQPXTGAJ-INIZCTEOSA-N 2 1 341.459 0.613 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081660 766920158 /nfs/dbraw/zinc/92/01/58/766920158.db2.gz HSRAJHRRJDHBDO-HOTGVXAUSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081660 766920159 /nfs/dbraw/zinc/92/01/59/766920159.db2.gz HSRAJHRRJDHBDO-HOTGVXAUSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081660 766920160 /nfs/dbraw/zinc/92/01/60/766920160.db2.gz HSRAJHRRJDHBDO-HOTGVXAUSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081660 766920161 /nfs/dbraw/zinc/92/01/61/766920161.db2.gz HSRAJHRRJDHBDO-HOTGVXAUSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081662 766920298 /nfs/dbraw/zinc/92/02/98/766920298.db2.gz HSRAJHRRJDHBDO-JKSUJKDBSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081662 766920300 /nfs/dbraw/zinc/92/03/00/766920300.db2.gz HSRAJHRRJDHBDO-JKSUJKDBSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081662 766920302 /nfs/dbraw/zinc/92/03/02/766920302.db2.gz HSRAJHRRJDHBDO-JKSUJKDBSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081662 766920304 /nfs/dbraw/zinc/92/03/04/766920304.db2.gz HSRAJHRRJDHBDO-JKSUJKDBSA-N 2 1 340.899 0.909 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001016833778 767015311 /nfs/dbraw/zinc/01/53/11/767015311.db2.gz CBDZRSOMCGNOOJ-SJJHQCBESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001016833778 767015320 /nfs/dbraw/zinc/01/53/20/767015320.db2.gz CBDZRSOMCGNOOJ-SJJHQCBESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001016833778 767015332 /nfs/dbraw/zinc/01/53/32/767015332.db2.gz CBDZRSOMCGNOOJ-SJJHQCBESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016833778 767015350 /nfs/dbraw/zinc/01/53/50/767015350.db2.gz CBDZRSOMCGNOOJ-SJJHQCBESA-N 2 1 346.475 0.284 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106662963 768573251 /nfs/dbraw/zinc/57/32/51/768573251.db2.gz LPSOORAWGCIUPK-BZUAXINKSA-N 2 1 336.480 0.457 20 30 ECEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055574930 769159062 /nfs/dbraw/zinc/15/90/62/769159062.db2.gz DZBDDZWJDQMIQV-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055631790 769304006 /nfs/dbraw/zinc/30/40/06/769304006.db2.gz KQNXJSCYOOOCDU-GJZGRUSLSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001018985408 770482120 /nfs/dbraw/zinc/48/21/20/770482120.db2.gz QUMNNNGRXPDHHE-ULQDDVLXSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001031435086 771069120 /nfs/dbraw/zinc/06/91/20/771069120.db2.gz PJZPBKHWWZNSKY-OAHLLOKOSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019289778 771109351 /nfs/dbraw/zinc/10/93/51/771109351.db2.gz CAERKXBMOAJLKM-QAETUUGQSA-N 2 1 348.491 0.694 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020045671 772106142 /nfs/dbraw/zinc/10/61/42/772106142.db2.gz HQHPPGOFNJAQOK-ULQDDVLXSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020045671 772106145 /nfs/dbraw/zinc/10/61/45/772106145.db2.gz HQHPPGOFNJAQOK-ULQDDVLXSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001020045924 772107544 /nfs/dbraw/zinc/10/75/44/772107544.db2.gz PNHRFCYPHBEYRP-ZOBUZTSGSA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001020045924 772107547 /nfs/dbraw/zinc/10/75/47/772107547.db2.gz PNHRFCYPHBEYRP-ZOBUZTSGSA-N 2 1 346.406 0.765 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405998 772549292 /nfs/dbraw/zinc/54/92/92/772549292.db2.gz HWXCTVGIXJHQLP-JGNFHWBKSA-N 2 1 325.840 0.839 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCO)[C@@H]3C2)CC1 ZINC001042369290 780157898 /nfs/dbraw/zinc/15/78/98/780157898.db2.gz WBIBNMFTVRGMGQ-SJLPKXTDSA-N 2 1 333.476 0.637 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680337 781497867 /nfs/dbraw/zinc/49/78/67/781497867.db2.gz BAQUVKYQNOXSLY-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680337 781497869 /nfs/dbraw/zinc/49/78/69/781497869.db2.gz BAQUVKYQNOXSLY-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680337 781497871 /nfs/dbraw/zinc/49/78/71/781497871.db2.gz BAQUVKYQNOXSLY-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680337 781497875 /nfs/dbraw/zinc/49/78/75/781497875.db2.gz BAQUVKYQNOXSLY-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489218 781619034 /nfs/dbraw/zinc/61/90/34/781619034.db2.gz QKULWBRFVYRMSE-TXLGJMDYSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489218 781619036 /nfs/dbraw/zinc/61/90/36/781619036.db2.gz QKULWBRFVYRMSE-TXLGJMDYSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489218 781619040 /nfs/dbraw/zinc/61/90/40/781619040.db2.gz QKULWBRFVYRMSE-TXLGJMDYSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332802 783841081 /nfs/dbraw/zinc/84/10/81/783841081.db2.gz WDALVWTZOKCYON-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070434190 784062189 /nfs/dbraw/zinc/06/21/89/784062189.db2.gz OUUXKJHNZBWSOJ-GJZGRUSLSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070434190 784062201 /nfs/dbraw/zinc/06/22/01/784062201.db2.gz OUUXKJHNZBWSOJ-GJZGRUSLSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070434190 784062210 /nfs/dbraw/zinc/06/22/10/784062210.db2.gz OUUXKJHNZBWSOJ-GJZGRUSLSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001071005996 784386644 /nfs/dbraw/zinc/38/66/44/784386644.db2.gz QBGHZQAPYSPSPS-UHFFFAOYSA-N 2 1 348.491 0.392 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001071005996 784386653 /nfs/dbraw/zinc/38/66/53/784386653.db2.gz QBGHZQAPYSPSPS-UHFFFAOYSA-N 2 1 348.491 0.392 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001070720728 784594471 /nfs/dbraw/zinc/59/44/71/784594471.db2.gz GGSFPHQFNKKCIJ-BRWVUGGUSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)C(=O)NC)C3)CC1 ZINC001073457478 789864868 /nfs/dbraw/zinc/86/48/68/789864868.db2.gz RZRPAVLNCBZBMB-HNNXBMFYSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840735 790074853 /nfs/dbraw/zinc/07/48/53/790074853.db2.gz MQUIIRASPHIXEW-DOTOQJQBSA-N 2 1 341.459 0.451 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001267487085 837549399 /nfs/dbraw/zinc/54/93/99/837549399.db2.gz AJYDRNMFCKDUBG-DOTOQJQBSA-N 2 1 348.491 0.437 20 30 ECEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001279371582 835726125 /nfs/dbraw/zinc/72/61/25/835726125.db2.gz RKPLSPFMGWFXEO-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001279371582 835726128 /nfs/dbraw/zinc/72/61/28/835726128.db2.gz RKPLSPFMGWFXEO-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001279371582 835726132 /nfs/dbraw/zinc/72/61/32/835726132.db2.gz RKPLSPFMGWFXEO-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC(=O)NC2CC2)CC1 ZINC001266440234 835844417 /nfs/dbraw/zinc/84/44/17/835844417.db2.gz LQTCMCRDBBXXMA-UHFFFAOYSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC(=O)NC2CC2)CC1 ZINC001266440234 835844422 /nfs/dbraw/zinc/84/44/22/835844422.db2.gz LQTCMCRDBBXXMA-UHFFFAOYSA-N 2 1 334.464 0.048 20 30 ECEDMP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NCC#N ZINC001266565242 835993560 /nfs/dbraw/zinc/99/35/60/835993560.db2.gz QPZPUUCCNVZDDC-UHFFFAOYSA-N 2 1 335.452 0.083 20 30 ECEDMP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NCC#N ZINC001266565242 835993564 /nfs/dbraw/zinc/99/35/64/835993564.db2.gz QPZPUUCCNVZDDC-UHFFFAOYSA-N 2 1 335.452 0.083 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001266599525 836031987 /nfs/dbraw/zinc/03/19/87/836031987.db2.gz NJTGBWBXSLRJCB-JYJNAYRXSA-N 2 1 345.447 0.645 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001266599525 836032004 /nfs/dbraw/zinc/03/20/04/836032004.db2.gz NJTGBWBXSLRJCB-JYJNAYRXSA-N 2 1 345.447 0.645 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266751187 836242681 /nfs/dbraw/zinc/24/26/81/836242681.db2.gz CTJBHCQKANZHGE-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001266751187 836242686 /nfs/dbraw/zinc/24/26/86/836242686.db2.gz CTJBHCQKANZHGE-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001266751187 836242698 /nfs/dbraw/zinc/24/26/98/836242698.db2.gz CTJBHCQKANZHGE-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266802389 836325575 /nfs/dbraw/zinc/32/55/75/836325575.db2.gz ZWGMVYGZZVQLOF-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)CCOCC(F)(F)F ZINC001267200419 836974477 /nfs/dbraw/zinc/97/44/77/836974477.db2.gz KMCLFMFQMGMQCL-ZDUSSCGKSA-N 2 1 335.370 0.711 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCOCC(F)(F)F ZINC001267200419 836974486 /nfs/dbraw/zinc/97/44/86/836974486.db2.gz KMCLFMFQMGMQCL-ZDUSSCGKSA-N 2 1 335.370 0.711 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOCC(F)(F)F ZINC001267200419 836974490 /nfs/dbraw/zinc/97/44/90/836974490.db2.gz KMCLFMFQMGMQCL-ZDUSSCGKSA-N 2 1 335.370 0.711 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCOCC(F)(F)F ZINC001267200419 836974495 /nfs/dbraw/zinc/97/44/95/836974495.db2.gz KMCLFMFQMGMQCL-ZDUSSCGKSA-N 2 1 335.370 0.711 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)CC1 ZINC001267233068 837038039 /nfs/dbraw/zinc/03/80/39/837038039.db2.gz PYHOTXQCQBVRFZ-INIZCTEOSA-N 2 1 348.491 0.296 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274239 837116234 /nfs/dbraw/zinc/11/62/34/837116234.db2.gz MELYDFYXHSRBBI-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC1CCCCC1 ZINC001267386510 837322533 /nfs/dbraw/zinc/32/25/33/837322533.db2.gz KGOPHNZECLLMMD-KRWDZBQOSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC1CCCCC1 ZINC001267386510 837322541 /nfs/dbraw/zinc/32/25/41/837322541.db2.gz KGOPHNZECLLMMD-KRWDZBQOSA-N 2 1 348.491 0.581 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267593581 837893233 /nfs/dbraw/zinc/89/32/33/837893233.db2.gz NVDVHYJJXVYMKL-HOTGVXAUSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267593581 837893242 /nfs/dbraw/zinc/89/32/42/837893242.db2.gz NVDVHYJJXVYMKL-HOTGVXAUSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267593581 837893248 /nfs/dbraw/zinc/89/32/48/837893248.db2.gz NVDVHYJJXVYMKL-HOTGVXAUSA-N 2 1 336.480 0.411 20 30 ECEDMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767680 838505940 /nfs/dbraw/zinc/50/59/40/838505940.db2.gz QDLIWUSIGUUATI-LSDHHAIUSA-N 2 1 335.452 0.033 20 30 ECEDMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767679 838506184 /nfs/dbraw/zinc/50/61/84/838506184.db2.gz QDLIWUSIGUUATI-HUUCEWRRSA-N 2 1 335.452 0.033 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267779886 838552669 /nfs/dbraw/zinc/55/26/69/838552669.db2.gz XKAZKNZETKBREX-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267779886 838552675 /nfs/dbraw/zinc/55/26/75/838552675.db2.gz XKAZKNZETKBREX-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267926419 838803769 /nfs/dbraw/zinc/80/37/69/838803769.db2.gz OKSCKBXQAPIACZ-SHTZXODSSA-N 2 1 334.464 0.237 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959479 436501092 /nfs/dbraw/zinc/50/10/92/436501092.db2.gz WHLCOJADQJOQMU-CQSZACIVSA-N 2 1 338.452 0.431 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1 ZINC000274808763 436876155 /nfs/dbraw/zinc/87/61/55/436876155.db2.gz UYYWERXOLQZOLM-INIZCTEOSA-N 2 1 346.479 0.807 20 30 ECEDMP CN1CC[NH+]=C1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262681285 436940887 /nfs/dbraw/zinc/94/08/87/436940887.db2.gz WHMPFIFJAYGUEE-INIZCTEOSA-N 2 1 329.448 0.775 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(-n2cccn2)c1 ZINC000303875497 437156735 /nfs/dbraw/zinc/15/67/35/437156735.db2.gz DLJXHGJDNMEHLL-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000328599134 437237074 /nfs/dbraw/zinc/23/70/74/437237074.db2.gz BTHJMZMBVAGCJX-RDJZCZTQSA-N 2 1 349.479 0.869 20 30 ECEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000328599134 437237078 /nfs/dbraw/zinc/23/70/78/437237078.db2.gz BTHJMZMBVAGCJX-RDJZCZTQSA-N 2 1 349.479 0.869 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333427148 437270736 /nfs/dbraw/zinc/27/07/36/437270736.db2.gz UCSWGTMWKKSPAJ-MRXNPFEDSA-N 2 1 349.479 0.243 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000343724199 437638387 /nfs/dbraw/zinc/63/83/87/437638387.db2.gz CRKGAAVIVPDRRK-UHFFFAOYSA-N 2 1 348.491 0.911 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306198 437916751 /nfs/dbraw/zinc/91/67/51/437916751.db2.gz SJVLMUYIWDOZOU-DOTOQJQBSA-N 2 1 335.496 0.847 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)N(CCC#N)CCC#N ZINC000342526776 438025874 /nfs/dbraw/zinc/02/58/74/438025874.db2.gz BCKWQDDGZGDGBU-UHFFFAOYSA-N 2 1 334.468 0.212 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367170010 438177412 /nfs/dbraw/zinc/17/74/12/438177412.db2.gz DWJQRQOQWSRMMU-DLBZAZTESA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367170010 438177415 /nfs/dbraw/zinc/17/74/15/438177415.db2.gz DWJQRQOQWSRMMU-DLBZAZTESA-N 2 1 335.496 0.706 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000491021803 439323846 /nfs/dbraw/zinc/32/38/46/439323846.db2.gz NRHHTZYYABQUQN-UHFFFAOYSA-N 2 1 334.508 0.864 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000491483640 439392320 /nfs/dbraw/zinc/39/23/20/439392320.db2.gz CXZQJDJQJRFKMV-UHFFFAOYSA-N 2 1 335.496 0.457 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000491483640 439392323 /nfs/dbraw/zinc/39/23/23/439392323.db2.gz CXZQJDJQJRFKMV-UHFFFAOYSA-N 2 1 335.496 0.457 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000491483640 439392329 /nfs/dbraw/zinc/39/23/29/439392329.db2.gz CXZQJDJQJRFKMV-UHFFFAOYSA-N 2 1 335.496 0.457 20 30 ECEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000584599200 439602835 /nfs/dbraw/zinc/60/28/35/439602835.db2.gz SCOOENVTLQXQAW-SJORKVTESA-N 2 1 333.432 0.539 20 30 ECEDMP C[NH+](CC(=O)NCC#CCNC(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000629978036 440822852 /nfs/dbraw/zinc/82/28/52/440822852.db2.gz GBHUPYXHBJIXHE-UHFFFAOYSA-N 2 1 334.464 0.191 20 30 ECEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006134 782119513 /nfs/dbraw/zinc/11/95/13/782119513.db2.gz TUNDGPCXOOLCJK-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006134 782119519 /nfs/dbraw/zinc/11/95/19/782119519.db2.gz TUNDGPCXOOLCJK-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006134 782119527 /nfs/dbraw/zinc/11/95/27/782119527.db2.gz TUNDGPCXOOLCJK-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006134 782119537 /nfs/dbraw/zinc/11/95/37/782119537.db2.gz TUNDGPCXOOLCJK-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000730281958 578304645 /nfs/dbraw/zinc/30/46/45/578304645.db2.gz CHIZXWAOOSJHDD-JKSUJKDBSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000730281958 578304646 /nfs/dbraw/zinc/30/46/46/578304646.db2.gz CHIZXWAOOSJHDD-JKSUJKDBSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000730281958 578304647 /nfs/dbraw/zinc/30/46/47/578304647.db2.gz CHIZXWAOOSJHDD-JKSUJKDBSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000730281958 578304649 /nfs/dbraw/zinc/30/46/49/578304649.db2.gz CHIZXWAOOSJHDD-JKSUJKDBSA-N 2 1 334.464 0.143 20 30 ECEDMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000899253139 586478565 /nfs/dbraw/zinc/47/85/65/586478565.db2.gz KLXRBQDQXNISCT-OAHLLOKOSA-N 2 1 349.431 0.403 20 30 ECEDMP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003257 587464137 /nfs/dbraw/zinc/46/41/37/587464137.db2.gz CNTGEUIPBONTPH-IAGOWNOFSA-N 2 1 330.432 0.769 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846166798 589189727 /nfs/dbraw/zinc/18/97/27/589189727.db2.gz CUWHQPIKDZYCIJ-ULQDDVLXSA-N 2 1 336.480 0.869 20 30 ECEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000865448736 590146135 /nfs/dbraw/zinc/14/61/35/590146135.db2.gz LMUQRDGLSYNYEV-UHFFFAOYSA-N 2 1 329.448 0.878 20 30 ECEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000876725286 590404319 /nfs/dbraw/zinc/40/43/19/590404319.db2.gz ICJHHGQNHLWRNM-CYBMUJFWSA-N 2 1 330.860 0.563 20 30 ECEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000876744432 590408144 /nfs/dbraw/zinc/40/81/44/590408144.db2.gz SPNZCNSGINFKRX-BQFCYCMXSA-N 2 1 340.427 0.724 20 30 ECEDMP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000104174703 591053224 /nfs/dbraw/zinc/05/32/24/591053224.db2.gz PLFPUTSUIXDMHD-IRXDYDNUSA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000104174703 591053228 /nfs/dbraw/zinc/05/32/28/591053228.db2.gz PLFPUTSUIXDMHD-IRXDYDNUSA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000104174703 591053234 /nfs/dbraw/zinc/05/32/34/591053234.db2.gz PLFPUTSUIXDMHD-IRXDYDNUSA-N 3 1 338.544 0.649 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000948630721 611672946 /nfs/dbraw/zinc/67/29/46/611672946.db2.gz BKSSVCGPEYWXIF-DHADLLTHSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630721 611672950 /nfs/dbraw/zinc/67/29/50/611672950.db2.gz BKSSVCGPEYWXIF-DHADLLTHSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630721 611672953 /nfs/dbraw/zinc/67/29/53/611672953.db2.gz BKSSVCGPEYWXIF-DHADLLTHSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000938768598 609985355 /nfs/dbraw/zinc/98/53/55/609985355.db2.gz MDHKPHQGPZQXCF-ZACQAIPSSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000938768598 609985358 /nfs/dbraw/zinc/98/53/58/609985358.db2.gz MDHKPHQGPZQXCF-ZACQAIPSSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410670 610301706 /nfs/dbraw/zinc/30/17/06/610301706.db2.gz LNXNHUQDXAYWTP-SFHVURJKSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487272 610338670 /nfs/dbraw/zinc/33/86/70/610338670.db2.gz IWNAOKZZWDMGDM-UHFFFAOYSA-N 2 1 337.427 0.800 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000950755765 611891308 /nfs/dbraw/zinc/89/13/08/611891308.db2.gz UCAKTNWJZVSUOR-PMPSAXMXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000950755765 611891309 /nfs/dbraw/zinc/89/13/09/611891309.db2.gz UCAKTNWJZVSUOR-PMPSAXMXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000950755850 611891870 /nfs/dbraw/zinc/89/18/70/611891870.db2.gz WCFSKVSIIZUBAF-IXDOHACOSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000950755850 611891871 /nfs/dbraw/zinc/89/18/71/611891871.db2.gz WCFSKVSIIZUBAF-IXDOHACOSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950825618 611927359 /nfs/dbraw/zinc/92/73/59/611927359.db2.gz SWPXVMWLTOVQND-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950825618 611927361 /nfs/dbraw/zinc/92/73/61/611927361.db2.gz SWPXVMWLTOVQND-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235992 735493761 /nfs/dbraw/zinc/49/37/61/735493761.db2.gz GKGMOJLAWAEANM-DLBZAZTESA-N 2 1 337.464 0.585 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834994 782308034 /nfs/dbraw/zinc/30/80/34/782308034.db2.gz PBHAQBPICUBVEY-MJGOQNOKSA-N 2 1 333.476 0.902 20 30 ECEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970269907 733284188 /nfs/dbraw/zinc/28/41/88/733284188.db2.gz DBYXBRIECKZDDM-CYBMUJFWSA-N 2 1 346.269 0.808 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)N3CCC3)C2)CC1 ZINC000970926790 734096397 /nfs/dbraw/zinc/09/63/97/734096397.db2.gz XFFBVNWAYKPDAO-OAHLLOKOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CC1CC1)CCO2 ZINC000972416568 736154671 /nfs/dbraw/zinc/15/46/71/736154671.db2.gz JVQHDLSSOUOZHY-HKUYNNGSSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CC1CC1)CCO2 ZINC000972416568 736154673 /nfs/dbraw/zinc/15/46/73/736154673.db2.gz JVQHDLSSOUOZHY-HKUYNNGSSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CC1CC1)CCO2 ZINC000972416568 736154675 /nfs/dbraw/zinc/15/46/75/736154675.db2.gz JVQHDLSSOUOZHY-HKUYNNGSSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)CCO2 ZINC000972416568 736154676 /nfs/dbraw/zinc/15/46/76/736154676.db2.gz JVQHDLSSOUOZHY-HKUYNNGSSA-N 2 1 331.460 0.797 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639533 736206740 /nfs/dbraw/zinc/20/67/40/736206740.db2.gz AUIHFAQQHUYYHA-OAHLLOKOSA-N 2 1 338.496 0.895 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001023423641 736806100 /nfs/dbraw/zinc/80/61/00/736806100.db2.gz BNIIBIRXFNDJSN-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104908449 740902709 /nfs/dbraw/zinc/90/27/09/740902709.db2.gz XICXCVISZSHUFB-OWCLPIDISA-N 2 1 349.479 0.042 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001029004461 743164257 /nfs/dbraw/zinc/16/42/57/743164257.db2.gz XXYFOSJFRUUGEE-OAHLLOKOSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001029004461 743164262 /nfs/dbraw/zinc/16/42/62/743164262.db2.gz XXYFOSJFRUUGEE-OAHLLOKOSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282804 751861327 /nfs/dbraw/zinc/86/13/27/751861327.db2.gz ICEDEUIYYBGQJP-JFRXWTBNSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282804 751861334 /nfs/dbraw/zinc/86/13/34/751861334.db2.gz ICEDEUIYYBGQJP-JFRXWTBNSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282804 751861341 /nfs/dbraw/zinc/86/13/41/751861341.db2.gz ICEDEUIYYBGQJP-JFRXWTBNSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977301204 744846415 /nfs/dbraw/zinc/84/64/15/744846415.db2.gz GPRKYOLFNMXJPP-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000999835103 744929846 /nfs/dbraw/zinc/92/98/46/744929846.db2.gz DUUDEXBXDCKGHB-GPANFISMSA-N 2 1 345.447 0.557 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011407 745179770 /nfs/dbraw/zinc/17/97/70/745179770.db2.gz UVHCWQRVYKHWOH-YQQAZPJKSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)nn2)C1 ZINC001000011407 745179774 /nfs/dbraw/zinc/17/97/74/745179774.db2.gz UVHCWQRVYKHWOH-YQQAZPJKSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)nn2)C1 ZINC001000011407 745179778 /nfs/dbraw/zinc/17/97/78/745179778.db2.gz UVHCWQRVYKHWOH-YQQAZPJKSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658893 745351991 /nfs/dbraw/zinc/35/19/91/745351991.db2.gz VPEMXWOAVYEVJY-HZPDHXFCSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658893 745351994 /nfs/dbraw/zinc/35/19/94/745351994.db2.gz VPEMXWOAVYEVJY-HZPDHXFCSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978179929 745998442 /nfs/dbraw/zinc/99/84/42/745998442.db2.gz MONCYUKAUHCLGF-PHZGNYQRSA-N 2 1 329.448 0.376 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978251736 746084899 /nfs/dbraw/zinc/08/48/99/746084899.db2.gz BNABOIMXBBBLHY-AKHDSKFASA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978251736 746084902 /nfs/dbraw/zinc/08/49/02/746084902.db2.gz BNABOIMXBBBLHY-AKHDSKFASA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978251736 746084905 /nfs/dbraw/zinc/08/49/05/746084905.db2.gz BNABOIMXBBBLHY-AKHDSKFASA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978251740 746085691 /nfs/dbraw/zinc/08/56/91/746085691.db2.gz BNABOIMXBBBLHY-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978251740 746085692 /nfs/dbraw/zinc/08/56/92/746085692.db2.gz BNABOIMXBBBLHY-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978251740 746085695 /nfs/dbraw/zinc/08/56/95/746085695.db2.gz BNABOIMXBBBLHY-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cncn3C)C[C@H]21 ZINC000978285631 746149645 /nfs/dbraw/zinc/14/96/45/746149645.db2.gz VKRMQRKPMDQYQT-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]21 ZINC000978285631 746149648 /nfs/dbraw/zinc/14/96/48/746149648.db2.gz VKRMQRKPMDQYQT-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cncn3C)C[C@H]21 ZINC000978285631 746149652 /nfs/dbraw/zinc/14/96/52/746149652.db2.gz VKRMQRKPMDQYQT-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cncn3C)C[C@H]21 ZINC000978285631 746149656 /nfs/dbraw/zinc/14/96/56/746149656.db2.gz VKRMQRKPMDQYQT-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125374 747006402 /nfs/dbraw/zinc/00/64/02/747006402.db2.gz JJQIWNQALOAPBB-IAGOWNOFSA-N 2 1 348.491 0.553 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812510 749707097 /nfs/dbraw/zinc/70/70/97/749707097.db2.gz NQOITRAOXQKZQU-UHFFFAOYSA-N 2 1 336.480 0.344 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262790098 749771724 /nfs/dbraw/zinc/77/17/24/749771724.db2.gz NSJMWDSLDBYUCY-SWLSCSKDSA-N 2 1 327.498 0.210 20 30 ECEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C2CC2)C(=O)C1 ZINC000262801450 749782599 /nfs/dbraw/zinc/78/25/99/749782599.db2.gz QZUNGKWXXCIWMV-INIZCTEOSA-N 2 1 339.509 0.306 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783671 751103717 /nfs/dbraw/zinc/10/37/17/751103717.db2.gz DNUQVXBSOWHNDS-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783671 751103719 /nfs/dbraw/zinc/10/37/19/751103719.db2.gz DNUQVXBSOWHNDS-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783671 751103721 /nfs/dbraw/zinc/10/37/21/751103721.db2.gz DNUQVXBSOWHNDS-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783750 751103881 /nfs/dbraw/zinc/10/38/81/751103881.db2.gz DNUQVXBSOWHNDS-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783750 751103884 /nfs/dbraw/zinc/10/38/84/751103884.db2.gz DNUQVXBSOWHNDS-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783750 751103887 /nfs/dbraw/zinc/10/38/87/751103887.db2.gz DNUQVXBSOWHNDS-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812238 751132918 /nfs/dbraw/zinc/13/29/18/751132918.db2.gz KZSPYYNKMNOWON-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812238 751132919 /nfs/dbraw/zinc/13/29/19/751132919.db2.gz KZSPYYNKMNOWON-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@H](OC)C1 ZINC001212070917 752471359 /nfs/dbraw/zinc/47/13/59/752471359.db2.gz CPHVSCDUOJTYKV-ZACQAIPSSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645264 752658688 /nfs/dbraw/zinc/65/86/88/752658688.db2.gz IJUWADRCKDCDFX-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP CC[NH+]=C(NCC1(O)CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261742603 753074850 /nfs/dbraw/zinc/07/48/50/753074850.db2.gz MSIRCHNHBFZUJA-INIZCTEOSA-N 2 1 338.496 0.911 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001028601803 753878290 /nfs/dbraw/zinc/87/82/90/753878290.db2.gz VLRQWJBJSWDPHJ-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001028601803 753878296 /nfs/dbraw/zinc/87/82/96/753878296.db2.gz VLRQWJBJSWDPHJ-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001028601803 753878305 /nfs/dbraw/zinc/87/83/05/753878305.db2.gz VLRQWJBJSWDPHJ-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001028601803 753878312 /nfs/dbraw/zinc/87/83/12/753878312.db2.gz VLRQWJBJSWDPHJ-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105376953 754070350 /nfs/dbraw/zinc/07/03/50/754070350.db2.gz NAQIEZVZNMCSES-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105376953 754070352 /nfs/dbraw/zinc/07/03/52/754070352.db2.gz NAQIEZVZNMCSES-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000982921118 754199991 /nfs/dbraw/zinc/19/99/91/754199991.db2.gz GAVPDOUVWNWQMH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000982921118 754199999 /nfs/dbraw/zinc/19/99/99/754199999.db2.gz GAVPDOUVWNWQMH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000982921118 754200004 /nfs/dbraw/zinc/20/00/04/754200004.db2.gz GAVPDOUVWNWQMH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000982921118 754200006 /nfs/dbraw/zinc/20/00/06/754200006.db2.gz GAVPDOUVWNWQMH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000989735022 754366793 /nfs/dbraw/zinc/36/67/93/754366793.db2.gz OOIXAUHZBHSTFV-QGZVFWFLSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000989735022 754366798 /nfs/dbraw/zinc/36/67/98/754366798.db2.gz OOIXAUHZBHSTFV-QGZVFWFLSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001009631443 755094544 /nfs/dbraw/zinc/09/45/44/755094544.db2.gz YPOXPMFAILGDMX-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001009631443 755094551 /nfs/dbraw/zinc/09/45/51/755094551.db2.gz YPOXPMFAILGDMX-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105667104 755601029 /nfs/dbraw/zinc/60/10/29/755601029.db2.gz OBLQBNXBQFAYAN-FPAYPSAMSA-N 2 1 335.492 0.928 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436673 756135106 /nfs/dbraw/zinc/13/51/06/756135106.db2.gz RFJYUWKHCHEHIZ-IRXDYDNUSA-N 2 1 328.416 0.579 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436673 756135109 /nfs/dbraw/zinc/13/51/09/756135109.db2.gz RFJYUWKHCHEHIZ-IRXDYDNUSA-N 2 1 328.416 0.579 20 30 ECEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@H]2C1 ZINC001048860678 757207679 /nfs/dbraw/zinc/20/76/79/757207679.db2.gz AMMFJEOWMQHRNL-SOLBZPMBSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@H]2C1 ZINC001048860678 757207686 /nfs/dbraw/zinc/20/76/86/757207686.db2.gz AMMFJEOWMQHRNL-SOLBZPMBSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@H]2C1 ZINC001048860678 757207690 /nfs/dbraw/zinc/20/76/90/757207690.db2.gz AMMFJEOWMQHRNL-SOLBZPMBSA-N 2 1 331.460 0.653 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001022070544 758234775 /nfs/dbraw/zinc/23/47/75/758234775.db2.gz WFAZQNFWQXJEIR-YYIAUSFCSA-N 2 1 348.491 0.883 20 30 ECEDMP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779617 758627472 /nfs/dbraw/zinc/62/74/72/758627472.db2.gz OZBCAXFMNNDFOI-NVXWUHKLSA-N 2 1 346.406 0.766 20 30 ECEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996765933 758765482 /nfs/dbraw/zinc/76/54/82/758765482.db2.gz MMOOQPSLVVPKSL-DAWZGUTISA-N 2 1 332.492 0.759 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000945381379 760125888 /nfs/dbraw/zinc/12/58/88/760125888.db2.gz JGNQKBBMYNOJAP-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000945381379 760125892 /nfs/dbraw/zinc/12/58/92/760125892.db2.gz JGNQKBBMYNOJAP-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000945381379 760125897 /nfs/dbraw/zinc/12/58/97/760125897.db2.gz JGNQKBBMYNOJAP-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000945381379 760125901 /nfs/dbraw/zinc/12/59/01/760125901.db2.gz JGNQKBBMYNOJAP-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050542275 760461312 /nfs/dbraw/zinc/46/13/12/760461312.db2.gz BXXIFIRIUYJCNP-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050542569 760461531 /nfs/dbraw/zinc/46/15/31/760461531.db2.gz HAZCULUUOVKOLC-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082785 761027799 /nfs/dbraw/zinc/02/77/99/761027799.db2.gz YUWANYCJASYOBE-INIZCTEOSA-N 2 1 336.480 0.766 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014464645 762720884 /nfs/dbraw/zinc/72/08/84/762720884.db2.gz UZKQDHBLNIBNAT-KSZLIROESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044737 763680130 /nfs/dbraw/zinc/68/01/30/763680130.db2.gz LDGARJQHGXWWQH-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499250 764518151 /nfs/dbraw/zinc/51/81/51/764518151.db2.gz DFQPILHICZCWBO-JYJNAYRXSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499250 764518160 /nfs/dbraw/zinc/51/81/60/764518160.db2.gz DFQPILHICZCWBO-JYJNAYRXSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499250 764518168 /nfs/dbraw/zinc/51/81/68/764518168.db2.gz DFQPILHICZCWBO-JYJNAYRXSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499250 764518176 /nfs/dbraw/zinc/51/81/76/764518176.db2.gz DFQPILHICZCWBO-JYJNAYRXSA-N 2 1 325.453 0.175 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047528168 764601105 /nfs/dbraw/zinc/60/11/05/764601105.db2.gz LWSPRAZNTGCIPW-MPGHIAIKSA-N 2 1 339.455 0.726 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047528168 764601113 /nfs/dbraw/zinc/60/11/13/764601113.db2.gz LWSPRAZNTGCIPW-MPGHIAIKSA-N 2 1 339.455 0.726 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528168 764601120 /nfs/dbraw/zinc/60/11/20/764601120.db2.gz LWSPRAZNTGCIPW-MPGHIAIKSA-N 2 1 339.455 0.726 20 30 ECEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572944 764782548 /nfs/dbraw/zinc/78/25/48/764782548.db2.gz RDIZQVREHFYRDC-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572944 764782552 /nfs/dbraw/zinc/78/25/52/764782552.db2.gz RDIZQVREHFYRDC-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572944 764782561 /nfs/dbraw/zinc/78/25/61/764782561.db2.gz RDIZQVREHFYRDC-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)CC1 ZINC001052954515 765408904 /nfs/dbraw/zinc/40/89/04/765408904.db2.gz OSOKPDDFBHPCBG-NVXWUHKLSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043891 766763354 /nfs/dbraw/zinc/76/33/54/766763354.db2.gz MIACCIDUECRUGR-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043891 766763356 /nfs/dbraw/zinc/76/33/56/766763356.db2.gz MIACCIDUECRUGR-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CCC=C)C3)C2)CC1 ZINC001054015736 767605392 /nfs/dbraw/zinc/60/53/92/767605392.db2.gz NZCYKBGNMJXTKZ-QGZVFWFLSA-N 2 1 331.460 0.867 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780491 767683608 /nfs/dbraw/zinc/68/36/08/767683608.db2.gz WQZLYDJWFDTHOT-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC000993855330 769762771 /nfs/dbraw/zinc/76/27/71/769762771.db2.gz OFYIJSOSPBUUQA-OAHLLOKOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000993855931 769766719 /nfs/dbraw/zinc/76/67/19/769766719.db2.gz WAZQCZQZILKJJJ-OAHLLOKOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](OC)C3CCC3)C2)CC1 ZINC001031435030 771069535 /nfs/dbraw/zinc/06/95/35/771069535.db2.gz NPDNGBSFYSDCHB-GOSISDBHSA-N 2 1 333.476 0.947 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001019800566 771814576 /nfs/dbraw/zinc/81/45/76/771814576.db2.gz PFXJWIHQWSQAQJ-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001019800566 771814579 /nfs/dbraw/zinc/81/45/79/771814579.db2.gz PFXJWIHQWSQAQJ-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC001019814328 771829107 /nfs/dbraw/zinc/82/91/07/771829107.db2.gz YYVXVYBQEZZTES-INIZCTEOSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001078468032 783005517 /nfs/dbraw/zinc/00/55/17/783005517.db2.gz VNWZSKXYRJSSFB-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001078468032 783005523 /nfs/dbraw/zinc/00/55/23/783005523.db2.gz VNWZSKXYRJSSFB-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001078468032 783005529 /nfs/dbraw/zinc/00/55/29/783005529.db2.gz VNWZSKXYRJSSFB-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001078468032 783005536 /nfs/dbraw/zinc/00/55/36/783005536.db2.gz VNWZSKXYRJSSFB-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001020250627 772350745 /nfs/dbraw/zinc/35/07/45/772350745.db2.gz KBDQOMIPPMQVJN-IHRRRGAJSA-N 2 1 347.488 0.935 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccnc2C)C1 ZINC001020250542 772350925 /nfs/dbraw/zinc/35/09/25/772350925.db2.gz HXELJJBDSSAMQO-ZOBUZTSGSA-N 2 1 327.432 0.619 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)C1=O ZINC001045070304 774930513 /nfs/dbraw/zinc/93/05/13/774930513.db2.gz BXXBQEUQGQBFQQ-DLBZAZTESA-N 2 1 348.491 0.838 20 30 ECEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489280 781618985 /nfs/dbraw/zinc/61/89/85/781618985.db2.gz SHEXQPYETFQGPN-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489280 781619004 /nfs/dbraw/zinc/61/90/04/781619004.db2.gz SHEXQPYETFQGPN-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489280 781619011 /nfs/dbraw/zinc/61/90/11/781619011.db2.gz SHEXQPYETFQGPN-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040732242 783345717 /nfs/dbraw/zinc/34/57/17/783345717.db2.gz ZDKVPTDGMCEMJX-KRWDZBQOSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040732242 783345726 /nfs/dbraw/zinc/34/57/26/783345726.db2.gz ZDKVPTDGMCEMJX-KRWDZBQOSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001070211757 783664685 /nfs/dbraw/zinc/66/46/85/783664685.db2.gz ZVRMRIADVPHEGS-PMPSAXMXSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001070211757 783664689 /nfs/dbraw/zinc/66/46/89/783664689.db2.gz ZVRMRIADVPHEGS-PMPSAXMXSA-N 2 1 330.436 0.127 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275503 783780279 /nfs/dbraw/zinc/78/02/79/783780279.db2.gz PPEWHZKQJCLZDB-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070491625 784184166 /nfs/dbraw/zinc/18/41/66/784184166.db2.gz WAQGVGHAUQAZEC-CGTJXYLNSA-N 2 1 343.475 0.810 20 30 ECEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020872 784440913 /nfs/dbraw/zinc/44/09/13/784440913.db2.gz ZGRHOTBSQFQLAD-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020872 784440919 /nfs/dbraw/zinc/44/09/19/784440919.db2.gz ZGRHOTBSQFQLAD-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020872 784440923 /nfs/dbraw/zinc/44/09/23/784440923.db2.gz ZGRHOTBSQFQLAD-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001070649182 784495949 /nfs/dbraw/zinc/49/59/49/784495949.db2.gz SIZMRPGIYVPFOH-KLHDSHLOSA-N 2 1 331.464 0.830 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654195 784504206 /nfs/dbraw/zinc/50/42/06/784504206.db2.gz ANBKOFQINAWYKP-BRWVUGGUSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071104245 784542323 /nfs/dbraw/zinc/54/23/23/784542323.db2.gz NKWBUOYDLMKYGV-AEFFLSMTSA-N 2 1 330.432 0.810 20 30 ECEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071219836 784766136 /nfs/dbraw/zinc/76/61/36/784766136.db2.gz YVEOKMQDJDEPJQ-AEFFLSMTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071219836 784766146 /nfs/dbraw/zinc/76/61/46/784766146.db2.gz YVEOKMQDJDEPJQ-AEFFLSMTSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CCCN1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277369 784923394 /nfs/dbraw/zinc/92/33/94/784923394.db2.gz SDZLAIJBTXMHES-DLBZAZTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1 ZINC001073639483 786844353 /nfs/dbraw/zinc/84/43/53/786844353.db2.gz HEYGKGROZDUZRE-CVEARBPZSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001073639483 786844363 /nfs/dbraw/zinc/84/43/63/786844363.db2.gz HEYGKGROZDUZRE-CVEARBPZSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCF)CCCO1 ZINC001073639483 786844367 /nfs/dbraw/zinc/84/43/67/786844367.db2.gz HEYGKGROZDUZRE-CVEARBPZSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCF)CCCO1 ZINC001073639483 786844377 /nfs/dbraw/zinc/84/43/77/786844377.db2.gz HEYGKGROZDUZRE-CVEARBPZSA-N 2 1 325.428 0.651 20 30 ECEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746359 788701779 /nfs/dbraw/zinc/70/17/79/788701779.db2.gz JPHYIXBQHXDGDU-UHFFFAOYSA-N 2 1 329.448 0.616 20 30 ECEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813325 788863560 /nfs/dbraw/zinc/86/35/60/788863560.db2.gz MTQAXCZHNXKKJD-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813325 788863572 /nfs/dbraw/zinc/86/35/72/788863572.db2.gz MTQAXCZHNXKKJD-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001075376392 789298875 /nfs/dbraw/zinc/29/88/75/789298875.db2.gz SNCULIOLJAUDOP-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001075376392 789298880 /nfs/dbraw/zinc/29/88/80/789298880.db2.gz SNCULIOLJAUDOP-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050351 789348309 /nfs/dbraw/zinc/34/83/09/789348309.db2.gz WGPGNCHTVDYUDJ-UHFFFAOYSA-N 2 1 329.448 0.616 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930712 790203371 /nfs/dbraw/zinc/20/33/71/790203371.db2.gz YPORKODFEGTIHZ-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930712 790203373 /nfs/dbraw/zinc/20/33/73/790203373.db2.gz YPORKODFEGTIHZ-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930712 790203375 /nfs/dbraw/zinc/20/33/75/790203375.db2.gz YPORKODFEGTIHZ-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267535665 837712822 /nfs/dbraw/zinc/71/28/22/837712822.db2.gz CONPUEHGUUQUBM-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267535665 837712829 /nfs/dbraw/zinc/71/28/29/837712829.db2.gz CONPUEHGUUQUBM-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001267535665 837712839 /nfs/dbraw/zinc/71/28/39/837712839.db2.gz CONPUEHGUUQUBM-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001267535665 837712847 /nfs/dbraw/zinc/71/28/47/837712847.db2.gz CONPUEHGUUQUBM-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C=CCC[C@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001266281308 835610249 /nfs/dbraw/zinc/61/02/49/835610249.db2.gz LMXMOYOQYFZIMW-IRXDYDNUSA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCC[C@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001266281308 835610252 /nfs/dbraw/zinc/61/02/52/835610252.db2.gz LMXMOYOQYFZIMW-IRXDYDNUSA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266483203 835882629 /nfs/dbraw/zinc/88/26/29/835882629.db2.gz QFXIQITTYVWFLT-OAHLLOKOSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266483203 835882635 /nfs/dbraw/zinc/88/26/35/835882635.db2.gz QFXIQITTYVWFLT-OAHLLOKOSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266483203 835882639 /nfs/dbraw/zinc/88/26/39/835882639.db2.gz QFXIQITTYVWFLT-OAHLLOKOSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266483203 835882643 /nfs/dbraw/zinc/88/26/43/835882643.db2.gz QFXIQITTYVWFLT-OAHLLOKOSA-N 2 1 338.496 0.847 20 30 ECEDMP C[N@@H+](CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N)CC(C)(C)C ZINC001266483198 835883331 /nfs/dbraw/zinc/88/33/31/835883331.db2.gz QDUSPTQSBKHQFU-AWEZNQCLSA-N 2 1 337.468 0.185 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CCc3cnc[nH]3)C2)C1=O ZINC001266598203 836030351 /nfs/dbraw/zinc/03/03/51/836030351.db2.gz NYFCIJBLDYSTFC-KKUMJFAQSA-N 2 1 331.420 0.366 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266712883 836186323 /nfs/dbraw/zinc/18/63/23/836186323.db2.gz HPWCJCQEHLTJJB-KFWWJZLASA-N 2 1 336.480 0.339 20 30 ECEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267110942 836797414 /nfs/dbraw/zinc/79/74/14/836797414.db2.gz JYCXYONOWYBADW-DOTOQJQBSA-N 2 1 336.480 0.245 20 30 ECEDMP C=CCN(CC=C)C(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267768113 838507076 /nfs/dbraw/zinc/50/70/76/838507076.db2.gz MFQQERBSLMHPMA-IAGOWNOFSA-N 2 1 348.491 0.814 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001267834593 838627710 /nfs/dbraw/zinc/62/77/10/838627710.db2.gz WTJXDAIKDOJVMX-HUUCEWRRSA-N 2 1 334.464 0.237 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001267929594 838808128 /nfs/dbraw/zinc/80/81/28/838808128.db2.gz ZBCYGIMOQNSVAF-JYJNAYRXSA-N 2 1 345.447 0.346 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@]1(O)CCc2ccccc21 ZINC000269674237 254529692 /nfs/dbraw/zinc/52/96/92/254529692.db2.gz CGDRCTJWAHDOID-SFHVURJKSA-N 2 1 332.448 0.447 20 30 ECEDMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1Cc1cc(C#N)n(C)c1 ZINC000375960586 267053639 /nfs/dbraw/zinc/05/36/39/267053639.db2.gz JJIJIOFCEKAAMC-QAPCUYQASA-N 2 1 331.464 0.733 20 30 ECEDMP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(C#N)n(C)c1 ZINC000375960586 267053641 /nfs/dbraw/zinc/05/36/41/267053641.db2.gz JJIJIOFCEKAAMC-QAPCUYQASA-N 2 1 331.464 0.733 20 30 ECEDMP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000330625599 300253327 /nfs/dbraw/zinc/25/33/27/300253327.db2.gz HSDDCGGHMUCMCO-IRXDYDNUSA-N 2 1 335.496 0.706 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2ccccn2)CC1 ZINC000088695004 436404620 /nfs/dbraw/zinc/40/46/20/436404620.db2.gz KIWKABORQMDYDD-INIZCTEOSA-N 2 1 345.495 0.025 20 30 ECEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261980207 436899807 /nfs/dbraw/zinc/89/98/07/436899807.db2.gz OSLRTBANOKTWHU-UHFFFAOYSA-N 2 1 341.481 0.666 20 30 ECEDMP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303774096 437153835 /nfs/dbraw/zinc/15/38/35/437153835.db2.gz FTQWYSXIXNQBCW-UHFFFAOYSA-N 2 1 329.445 0.138 20 30 ECEDMP CC(C)(C)OC(=O)NCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303790697 437157198 /nfs/dbraw/zinc/15/71/98/437157198.db2.gz WRYIQWUAZVGRAS-UHFFFAOYSA-N 2 1 343.472 0.528 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000180381413 437290567 /nfs/dbraw/zinc/29/05/67/437290567.db2.gz MXZWQBOTJFDCET-OAHLLOKOSA-N 2 1 335.448 0.427 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000180381413 437290569 /nfs/dbraw/zinc/29/05/69/437290569.db2.gz MXZWQBOTJFDCET-OAHLLOKOSA-N 2 1 335.448 0.427 20 30 ECEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000329785668 437412088 /nfs/dbraw/zinc/41/20/88/437412088.db2.gz QCVFIYSVFKLFGI-IJEWVQPXSA-N 2 1 344.525 0.725 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343743432 437644871 /nfs/dbraw/zinc/64/48/71/437644871.db2.gz VGXSPMABXTXTFQ-INIZCTEOSA-N 2 1 334.464 0.448 20 30 ECEDMP CCN(CCC#N)C(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000376865118 438296069 /nfs/dbraw/zinc/29/60/69/438296069.db2.gz UFFHHEWBHUMRJB-INIZCTEOSA-N 2 1 335.496 0.849 20 30 ECEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951026 438895666 /nfs/dbraw/zinc/89/56/66/438895666.db2.gz VVDJSWSIHBZKTE-ZWKOTPCHSA-N 2 1 343.475 0.940 20 30 ECEDMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951026 438895670 /nfs/dbraw/zinc/89/56/70/438895670.db2.gz VVDJSWSIHBZKTE-ZWKOTPCHSA-N 2 1 343.475 0.940 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000596691409 438990503 /nfs/dbraw/zinc/99/05/03/438990503.db2.gz ZCCMICLGZGQXFG-HOCLYGCPSA-N 2 1 325.457 0.318 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000596691409 438990509 /nfs/dbraw/zinc/99/05/09/438990509.db2.gz ZCCMICLGZGQXFG-HOCLYGCPSA-N 2 1 325.457 0.318 20 30 ECEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000581488899 439218051 /nfs/dbraw/zinc/21/80/51/439218051.db2.gz DMNWWTNGVYMUNP-DLBZAZTESA-N 2 1 333.432 0.734 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000490657091 439284329 /nfs/dbraw/zinc/28/43/29/439284329.db2.gz QHMUJXDVOMGIKY-UHFFFAOYSA-N 2 1 334.508 0.866 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000491620334 439411702 /nfs/dbraw/zinc/41/17/02/439411702.db2.gz DRQHUAMVFRCPOH-QGZVFWFLSA-N 2 1 338.496 0.988 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000491620334 439411708 /nfs/dbraw/zinc/41/17/08/439411708.db2.gz DRQHUAMVFRCPOH-QGZVFWFLSA-N 2 1 338.496 0.988 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636675917 439989635 /nfs/dbraw/zinc/98/96/35/439989635.db2.gz CSBBLFICUZAYIJ-KRWDZBQOSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCn1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)nn1 ZINC000648759449 440321286 /nfs/dbraw/zinc/32/12/86/440321286.db2.gz CWSVUVSQUJXGOO-HNNXBMFYSA-N 2 1 334.468 0.952 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000105828298 545737518 /nfs/dbraw/zinc/73/75/18/545737518.db2.gz IXINKFGOAVHSFN-UHFFFAOYSA-N 2 1 343.475 0.800 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000105828298 545737524 /nfs/dbraw/zinc/73/75/24/545737524.db2.gz IXINKFGOAVHSFN-UHFFFAOYSA-N 2 1 343.475 0.800 20 30 ECEDMP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000329790968 546034268 /nfs/dbraw/zinc/03/42/68/546034268.db2.gz DDVBZJWSUYZPCD-ZIAGYGMSSA-N 2 1 325.457 0.137 20 30 ECEDMP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000329790968 546034273 /nfs/dbraw/zinc/03/42/73/546034273.db2.gz DDVBZJWSUYZPCD-ZIAGYGMSSA-N 2 1 325.457 0.137 20 30 ECEDMP C=C1[C@H](C(=O)NCC[NH+](C)C(C)C)[C@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000900701050 586657491 /nfs/dbraw/zinc/65/74/91/586657491.db2.gz VAXJEMPEMLJGCL-HOTGVXAUSA-N 2 1 338.496 0.701 20 30 ECEDMP C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+](C)C ZINC000849086872 589319468 /nfs/dbraw/zinc/31/94/68/589319468.db2.gz CVQIGNVVPHGPRK-CHWSQXEVSA-N 2 1 325.457 0.817 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]CCOC ZINC000864236400 590061568 /nfs/dbraw/zinc/06/15/68/590061568.db2.gz JLVZQSDAYUOIEO-NWDGAFQWSA-N 2 1 340.390 0.576 20 30 ECEDMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876727776 590405106 /nfs/dbraw/zinc/40/51/06/590405106.db2.gz BXVZFMYLBHXMAL-QGZVFWFLSA-N 2 1 330.432 0.830 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876801912 590416501 /nfs/dbraw/zinc/41/65/01/590416501.db2.gz KHQNBWWQCWATEX-SJORKVTESA-N 3 1 341.459 0.598 20 30 ECEDMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884312615 590802743 /nfs/dbraw/zinc/80/27/43/590802743.db2.gz JZVZVLYFQXERMN-VFORCBIJSA-N 2 1 334.464 0.693 20 30 ECEDMP C[C@@H]1C[N@H+](CCN(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884312615 590802746 /nfs/dbraw/zinc/80/27/46/590802746.db2.gz JZVZVLYFQXERMN-VFORCBIJSA-N 2 1 334.464 0.693 20 30 ECEDMP C=CCNC(=O)C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCC=C)CC1 ZINC000886393886 590838508 /nfs/dbraw/zinc/83/85/08/590838508.db2.gz HBXNDDKXXNTZKP-WKILWMFISA-N 2 1 336.480 0.766 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623953 611370777 /nfs/dbraw/zinc/37/07/77/611370777.db2.gz WCGHWCPVEFUFPD-FGTMMUONSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623953 611370779 /nfs/dbraw/zinc/37/07/79/611370779.db2.gz WCGHWCPVEFUFPD-FGTMMUONSA-N 2 1 343.475 0.617 20 30 ECEDMP CNC(=O)CCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912499116 609962376 /nfs/dbraw/zinc/96/23/76/609962376.db2.gz LBDABDPLOUZOIK-UHFFFAOYSA-N 2 1 327.473 0.179 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906297 610023530 /nfs/dbraw/zinc/02/35/30/610023530.db2.gz MJWSMPSONSOBKU-QGZVFWFLSA-N 3 1 347.507 0.552 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413817 610303046 /nfs/dbraw/zinc/30/30/46/610303046.db2.gz FTHYIXYVNPGZRM-WMZOPIPTSA-N 2 1 348.491 0.254 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413817 610303047 /nfs/dbraw/zinc/30/30/47/610303047.db2.gz FTHYIXYVNPGZRM-WMZOPIPTSA-N 2 1 348.491 0.254 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941433136 610313068 /nfs/dbraw/zinc/31/30/68/610313068.db2.gz ODYJKNHLAJHMEX-QGZVFWFLSA-N 2 1 334.508 0.979 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433136 610313069 /nfs/dbraw/zinc/31/30/69/610313069.db2.gz ODYJKNHLAJHMEX-QGZVFWFLSA-N 2 1 334.508 0.979 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896458 611236892 /nfs/dbraw/zinc/23/68/92/611236892.db2.gz JTKOOGKXIMXBAH-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896458 611236893 /nfs/dbraw/zinc/23/68/93/611236893.db2.gz JTKOOGKXIMXBAH-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896458 611236895 /nfs/dbraw/zinc/23/68/95/611236895.db2.gz JTKOOGKXIMXBAH-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896458 611236897 /nfs/dbraw/zinc/23/68/97/611236897.db2.gz JTKOOGKXIMXBAH-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950076442 611858620 /nfs/dbraw/zinc/85/86/20/611858620.db2.gz DNQSLCNIHYNLHM-IRXDYDNUSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000950755851 611891814 /nfs/dbraw/zinc/89/18/14/611891814.db2.gz WCFSKVSIIZUBAF-ULQDDVLXSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000950755851 611891815 /nfs/dbraw/zinc/89/18/15/611891815.db2.gz WCFSKVSIIZUBAF-ULQDDVLXSA-N 2 1 348.491 0.387 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980528 790273617 /nfs/dbraw/zinc/27/36/17/790273617.db2.gz ZWQSLIVTJFCHCU-CABCVRRESA-N 2 1 329.408 0.401 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980528 790273619 /nfs/dbraw/zinc/27/36/19/790273619.db2.gz ZWQSLIVTJFCHCU-CABCVRRESA-N 2 1 329.408 0.401 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042886 731979230 /nfs/dbraw/zinc/97/92/30/731979230.db2.gz YKLOXIHRHLIASB-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)CC1 ZINC001041845175 782325416 /nfs/dbraw/zinc/32/54/16/782325416.db2.gz UQLRHQZBWVJANW-HNAYVOBHSA-N 2 1 346.475 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000970924931 734092510 /nfs/dbraw/zinc/09/25/10/734092510.db2.gz NVOVMOZLDJKIEC-RHSMWYFYSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](CC#CC)CCO)CC2)CC1 ZINC001098572546 736281173 /nfs/dbraw/zinc/28/11/73/736281173.db2.gz NVFXMAKJIMWSHF-UHFFFAOYSA-N 2 1 345.487 0.640 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC001023128831 736524124 /nfs/dbraw/zinc/52/41/24/736524124.db2.gz UWXGUEDCUKXYCX-GASCZTMLSA-N 2 1 345.447 0.714 20 30 ECEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001112516295 736754732 /nfs/dbraw/zinc/75/47/32/736754732.db2.gz CDLMVWFQUWTBKB-SCTDSRPQSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001112516295 736754738 /nfs/dbraw/zinc/75/47/38/736754738.db2.gz CDLMVWFQUWTBKB-SCTDSRPQSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001024021851 737626713 /nfs/dbraw/zinc/62/67/13/737626713.db2.gz KVTDAXQTQUZMSM-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001024021851 737626715 /nfs/dbraw/zinc/62/67/15/737626715.db2.gz KVTDAXQTQUZMSM-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008009 790309470 /nfs/dbraw/zinc/30/94/70/790309470.db2.gz MBUUKRRHIVQZNW-NXOAAHMSSA-N 2 1 344.463 0.373 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008009 790309474 /nfs/dbraw/zinc/30/94/74/790309474.db2.gz MBUUKRRHIVQZNW-NXOAAHMSSA-N 2 1 344.463 0.373 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008009 790309481 /nfs/dbraw/zinc/30/94/81/790309481.db2.gz MBUUKRRHIVQZNW-NXOAAHMSSA-N 2 1 344.463 0.373 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167736667 740815633 /nfs/dbraw/zinc/81/56/33/740815633.db2.gz FRTVJLPXUSPMKA-HNNXBMFYSA-N 2 1 336.480 0.507 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075705 741252355 /nfs/dbraw/zinc/25/23/55/741252355.db2.gz PPTGSZGIXSUTPG-JHJVBQTASA-N 2 1 333.354 0.319 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075705 741252357 /nfs/dbraw/zinc/25/23/57/741252357.db2.gz PPTGSZGIXSUTPG-JHJVBQTASA-N 2 1 333.354 0.319 20 30 ECEDMP C=CCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256848 741572321 /nfs/dbraw/zinc/57/23/21/741572321.db2.gz VVSXKENQORBJLM-OAHLLOKOSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)nn1 ZINC001105256848 741572324 /nfs/dbraw/zinc/57/23/24/741572324.db2.gz VVSXKENQORBJLM-OAHLLOKOSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256848 741572327 /nfs/dbraw/zinc/57/23/27/741572327.db2.gz VVSXKENQORBJLM-OAHLLOKOSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)nn1 ZINC001105268510 741610638 /nfs/dbraw/zinc/61/06/38/741610638.db2.gz QHURMIWIBDPUCR-WBVHZDCISA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268510 741610642 /nfs/dbraw/zinc/61/06/42/741610642.db2.gz QHURMIWIBDPUCR-WBVHZDCISA-N 2 1 344.463 0.954 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327128 741812062 /nfs/dbraw/zinc/81/20/62/741812062.db2.gz TWUWLHPAPFNBFM-RHSMWYFYSA-N 2 1 346.479 0.915 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590545 741916686 /nfs/dbraw/zinc/91/66/86/741916686.db2.gz BIMBNQZYCQWSNA-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000996804817 742895774 /nfs/dbraw/zinc/89/57/74/742895774.db2.gz WZTLBLHRYYQQKR-UHFFFAOYSA-N 2 1 343.475 0.870 20 30 ECEDMP Cc1nnc(CNC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261967790 743195995 /nfs/dbraw/zinc/19/59/95/743195995.db2.gz LVYCDXISDGRZNR-BXUZGUMPSA-N 2 1 331.468 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000997830866 743841935 /nfs/dbraw/zinc/84/19/35/743841935.db2.gz CSPMTXYRBORMBD-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000997830866 743841939 /nfs/dbraw/zinc/84/19/39/743841939.db2.gz CSPMTXYRBORMBD-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000997830987 743842032 /nfs/dbraw/zinc/84/20/32/743842032.db2.gz GHHQVWDRGPQHOO-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000997830987 743842035 /nfs/dbraw/zinc/84/20/35/743842035.db2.gz GHHQVWDRGPQHOO-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000999122878 744521649 /nfs/dbraw/zinc/52/16/49/744521649.db2.gz CGUHXKHITYARLV-GPANFISMSA-N 2 1 345.447 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999401796 744678096 /nfs/dbraw/zinc/67/80/96/744678096.db2.gz ZRAJRJMQUAOHIB-WBVHZDCISA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999401796 744678098 /nfs/dbraw/zinc/67/80/98/744678098.db2.gz ZRAJRJMQUAOHIB-WBVHZDCISA-N 2 1 329.448 0.598 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001167979205 744971740 /nfs/dbraw/zinc/97/17/40/744971740.db2.gz RJLBXVAMBBZGHV-OAHLLOKOSA-N 2 1 347.463 0.885 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995450 745154652 /nfs/dbraw/zinc/15/46/52/745154652.db2.gz GHFJPUNULYPDIC-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995450 745154654 /nfs/dbraw/zinc/15/46/54/745154654.db2.gz GHFJPUNULYPDIC-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995450 745154657 /nfs/dbraw/zinc/15/46/57/745154657.db2.gz GHFJPUNULYPDIC-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)nn2)C1 ZINC001000042783 745223080 /nfs/dbraw/zinc/22/30/80/745223080.db2.gz HJEJOPYZIDCDSZ-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)nn2)C1 ZINC001000042783 745223084 /nfs/dbraw/zinc/22/30/84/745223084.db2.gz HJEJOPYZIDCDSZ-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042783 745223090 /nfs/dbraw/zinc/22/30/90/745223090.db2.gz HJEJOPYZIDCDSZ-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042783 745223093 /nfs/dbraw/zinc/22/30/93/745223093.db2.gz HJEJOPYZIDCDSZ-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)nn2)C1 ZINC001000042782 745223316 /nfs/dbraw/zinc/22/33/16/745223316.db2.gz HJEJOPYZIDCDSZ-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)nn2)C1 ZINC001000042782 745223322 /nfs/dbraw/zinc/22/33/22/745223322.db2.gz HJEJOPYZIDCDSZ-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042782 745223329 /nfs/dbraw/zinc/22/33/29/745223329.db2.gz HJEJOPYZIDCDSZ-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042782 745223333 /nfs/dbraw/zinc/22/33/33/745223333.db2.gz HJEJOPYZIDCDSZ-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650302 745338680 /nfs/dbraw/zinc/33/86/80/745338680.db2.gz CHKQHIOXBGYUMF-HOCLYGCPSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650302 745338683 /nfs/dbraw/zinc/33/86/83/745338683.db2.gz CHKQHIOXBGYUMF-HOCLYGCPSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000983902646 745480323 /nfs/dbraw/zinc/48/03/23/745480323.db2.gz XBVJMMAPXBITGO-SZMVWBNQSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000983902646 745480327 /nfs/dbraw/zinc/48/03/27/745480327.db2.gz XBVJMMAPXBITGO-SZMVWBNQSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC000983902884 745480762 /nfs/dbraw/zinc/48/07/62/745480762.db2.gz ZGLCLZODPLHJKW-KKUMJFAQSA-N 2 1 345.447 0.714 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC000984047151 745734190 /nfs/dbraw/zinc/73/41/90/745734190.db2.gz HNOMGZNYDPQPPA-QAETUUGQSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCn2cccn2)CC1 ZINC001001488851 746427330 /nfs/dbraw/zinc/42/73/30/746427330.db2.gz GNSJSCSITHGZTL-SFHVURJKSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCn2cccn2)CC1 ZINC001001488851 746427332 /nfs/dbraw/zinc/42/73/32/746427332.db2.gz GNSJSCSITHGZTL-SFHVURJKSA-N 2 1 343.475 0.809 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681702 746799946 /nfs/dbraw/zinc/79/99/46/746799946.db2.gz AWFOCZSSKYPBCW-IAGOWNOFSA-N 2 1 348.491 0.792 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)CC1 ZINC001027693524 746857487 /nfs/dbraw/zinc/85/74/87/746857487.db2.gz DMLWERWUTGPKRC-IRXDYDNUSA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001003056222 748124526 /nfs/dbraw/zinc/12/45/26/748124526.db2.gz NEEPMQHHTXPIBW-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001003056222 748124530 /nfs/dbraw/zinc/12/45/30/748124530.db2.gz NEEPMQHHTXPIBW-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCn2cccn2)CC1 ZINC000985476876 748212863 /nfs/dbraw/zinc/21/28/63/748212863.db2.gz VDTNXIWZPIFDMC-SFHVURJKSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cccn2)CC1 ZINC000985476876 748212866 /nfs/dbraw/zinc/21/28/66/748212866.db2.gz VDTNXIWZPIFDMC-SFHVURJKSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCn2cccn2)CC1 ZINC000985476876 748212869 /nfs/dbraw/zinc/21/28/69/748212869.db2.gz VDTNXIWZPIFDMC-SFHVURJKSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCn2cccn2)CC1 ZINC000985476876 748212873 /nfs/dbraw/zinc/21/28/73/748212873.db2.gz VDTNXIWZPIFDMC-SFHVURJKSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccnn2C)C1 ZINC001029758084 748270644 /nfs/dbraw/zinc/27/06/44/748270644.db2.gz QPSGDKSSYGASBC-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccnn2C)C1 ZINC001029758084 748270647 /nfs/dbraw/zinc/27/06/47/748270647.db2.gz QPSGDKSSYGASBC-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccnn2C)C1 ZINC001029758084 748270651 /nfs/dbraw/zinc/27/06/51/748270651.db2.gz QPSGDKSSYGASBC-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccnn2C)C1 ZINC001029758084 748270654 /nfs/dbraw/zinc/27/06/54/748270654.db2.gz QPSGDKSSYGASBC-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)[C@@H]2C)CC1 ZINC000987566878 750969302 /nfs/dbraw/zinc/96/93/02/750969302.db2.gz CFDKQJFALGUWSD-WMLDXEAASA-N 2 1 344.463 0.239 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812883 751133822 /nfs/dbraw/zinc/13/38/22/751133822.db2.gz XEUFGBMGXAZAJY-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812883 751133826 /nfs/dbraw/zinc/13/38/26/751133826.db2.gz XEUFGBMGXAZAJY-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261702541 752382284 /nfs/dbraw/zinc/38/22/84/752382284.db2.gz JKQIRJSNTRWQOQ-IAGOWNOFSA-N 2 1 334.512 0.122 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028546780 753127013 /nfs/dbraw/zinc/12/70/13/753127013.db2.gz FGKYOUXDCGFTRC-JQHSSLGASA-N 2 1 333.476 0.805 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001098681632 753639027 /nfs/dbraw/zinc/63/90/27/753639027.db2.gz VQYVCEXIOISKDS-HNNXBMFYSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685333 753766344 /nfs/dbraw/zinc/76/63/44/753766344.db2.gz FKISEEJOYSVZNE-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627827 755087269 /nfs/dbraw/zinc/08/72/69/755087269.db2.gz NSUIZFSQPBCNED-FUHWJXTLSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC000990737014 755801460 /nfs/dbraw/zinc/80/14/60/755801460.db2.gz FVEBHKHBXFENBX-SJLPKXTDSA-N 2 1 329.448 0.805 20 30 ECEDMP C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105679968 755974127 /nfs/dbraw/zinc/97/41/27/755974127.db2.gz NKEKYXZYEYJQKR-HDICACEKSA-N 2 1 332.492 0.711 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1=O ZINC001076575000 756663373 /nfs/dbraw/zinc/66/33/73/756663373.db2.gz VMLPUWIQXRMJJE-GVDBMIGSSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001011314217 757487324 /nfs/dbraw/zinc/48/73/24/757487324.db2.gz JZSCFQMYSWUPKF-HOTGVXAUSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001011314217 757487331 /nfs/dbraw/zinc/48/73/31/757487331.db2.gz JZSCFQMYSWUPKF-HOTGVXAUSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436354 758561833 /nfs/dbraw/zinc/56/18/33/758561833.db2.gz WOZUDOZJGVOZQJ-YQVWRLOYSA-N 2 1 343.475 0.807 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436354 758561834 /nfs/dbraw/zinc/56/18/34/758561834.db2.gz WOZUDOZJGVOZQJ-YQVWRLOYSA-N 2 1 343.475 0.807 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450730 758597205 /nfs/dbraw/zinc/59/72/05/758597205.db2.gz LUMCGTMGJNYDFB-GPMSIDNRSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484084 758794304 /nfs/dbraw/zinc/79/43/04/758794304.db2.gz DPVKTHSZCLJJOO-IAGOWNOFSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611312 758992563 /nfs/dbraw/zinc/99/25/63/758992563.db2.gz OMSKXWQVTXUGDP-RVKOJVRFSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611312 758992569 /nfs/dbraw/zinc/99/25/69/758992569.db2.gz OMSKXWQVTXUGDP-RVKOJVRFSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611312 758992574 /nfs/dbraw/zinc/99/25/74/758992574.db2.gz OMSKXWQVTXUGDP-RVKOJVRFSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC=C(C)C)C[C@@H]2O)CC1 ZINC001047638337 759374221 /nfs/dbraw/zinc/37/42/21/759374221.db2.gz NKFYFKOWDYLOIC-ROUUACIJSA-N 2 1 333.476 0.801 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@H+](CCO)C3)CC1 ZINC001054292880 767901548 /nfs/dbraw/zinc/90/15/48/767901548.db2.gz YHVDWXSOPJPPBX-UHFFFAOYSA-N 2 1 341.455 0.956 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)C[N@@H+](CCO)C3)CC1 ZINC001054292880 767901551 /nfs/dbraw/zinc/90/15/51/767901551.db2.gz YHVDWXSOPJPPBX-UHFFFAOYSA-N 2 1 341.455 0.956 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995924570 760785160 /nfs/dbraw/zinc/78/51/60/760785160.db2.gz QFBQWSIFBRJFJB-HOTGVXAUSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995924570 760785168 /nfs/dbraw/zinc/78/51/68/760785168.db2.gz QFBQWSIFBRJFJB-HOTGVXAUSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001046850575 763231843 /nfs/dbraw/zinc/23/18/43/763231843.db2.gz WRRRQMFJGJVEHC-KSSFIOAISA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001046850575 763231846 /nfs/dbraw/zinc/23/18/46/763231846.db2.gz WRRRQMFJGJVEHC-KSSFIOAISA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127680628 763329745 /nfs/dbraw/zinc/32/97/45/763329745.db2.gz YDHYCFKYFUHIIF-ZIAGYGMSSA-N 2 1 335.452 0.793 20 30 ECEDMP C#CCNCc1cn([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766836 764571813 /nfs/dbraw/zinc/57/18/13/764571813.db2.gz HGZVBEPZUUCJBC-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047564269 764703259 /nfs/dbraw/zinc/70/32/59/764703259.db2.gz ODNOXSZSKCYLRK-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047564269 764703266 /nfs/dbraw/zinc/70/32/66/764703266.db2.gz ODNOXSZSKCYLRK-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)CC1 ZINC001016331727 766133031 /nfs/dbraw/zinc/13/30/31/766133031.db2.gz KWCJSXVJKJFPRD-SFHVURJKSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001016338164 766146844 /nfs/dbraw/zinc/14/68/44/766146844.db2.gz XHMUMDSGUYXHDC-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001046036489 766726527 /nfs/dbraw/zinc/72/65/27/766726527.db2.gz LRHMUBQXMZCBEC-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001046036489 766726532 /nfs/dbraw/zinc/72/65/32/766726532.db2.gz LRHMUBQXMZCBEC-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001046036489 766726537 /nfs/dbraw/zinc/72/65/37/766726537.db2.gz LRHMUBQXMZCBEC-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001046036489 766726546 /nfs/dbraw/zinc/72/65/46/766726546.db2.gz LRHMUBQXMZCBEC-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001046036963 766729740 /nfs/dbraw/zinc/72/97/40/766729740.db2.gz QRHVQFAMCSCITD-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001046036963 766729744 /nfs/dbraw/zinc/72/97/44/766729744.db2.gz QRHVQFAMCSCITD-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC#CC)C2)CC1 ZINC001046036963 766729751 /nfs/dbraw/zinc/72/97/51/766729751.db2.gz QRHVQFAMCSCITD-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC#CC)C2)CC1 ZINC001046036963 766729754 /nfs/dbraw/zinc/72/97/54/766729754.db2.gz QRHVQFAMCSCITD-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCCN1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000913969780 766882991 /nfs/dbraw/zinc/88/29/91/766882991.db2.gz DFYZFPCFRXYXQM-INIZCTEOSA-N 2 1 325.478 0.443 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218008 767082469 /nfs/dbraw/zinc/08/24/69/767082469.db2.gz JAXNMSLHMFERFB-MJGOQNOKSA-N 2 1 342.443 0.969 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001046218008 767082477 /nfs/dbraw/zinc/08/24/77/767082477.db2.gz JAXNMSLHMFERFB-MJGOQNOKSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596172 767350342 /nfs/dbraw/zinc/35/03/42/767350342.db2.gz VSEQDXUUSDXBFA-APWZRJJASA-N 2 1 348.491 0.696 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731480 768416126 /nfs/dbraw/zinc/41/61/26/768416126.db2.gz AMGOAGWSTZGVIZ-OIISXLGYSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731480 768416131 /nfs/dbraw/zinc/41/61/31/768416131.db2.gz AMGOAGWSTZGVIZ-OIISXLGYSA-N 2 1 332.448 0.881 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666712 768579055 /nfs/dbraw/zinc/57/90/55/768579055.db2.gz RGENMYHJYWSLHB-ARFHVFGLSA-N 2 1 336.480 0.315 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578926 769176153 /nfs/dbraw/zinc/17/61/53/769176153.db2.gz ZYCKCJHMFKHIDK-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055632513 769308910 /nfs/dbraw/zinc/30/89/10/769308910.db2.gz WTXGAVQSYHWWQE-SQWLQELKSA-N 2 1 349.479 0.183 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840125 770032387 /nfs/dbraw/zinc/03/23/87/770032387.db2.gz ZGBNQOOWNQBNOQ-BZUAXINKSA-N 2 1 338.496 0.703 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001018985883 770483466 /nfs/dbraw/zinc/48/34/66/770483466.db2.gz KNCLLLDDCTTXBY-HOTGVXAUSA-N 2 1 349.866 0.825 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001018985883 770483475 /nfs/dbraw/zinc/48/34/75/770483475.db2.gz KNCLLLDDCTTXBY-HOTGVXAUSA-N 2 1 349.866 0.825 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001045672677 776013155 /nfs/dbraw/zinc/01/31/55/776013155.db2.gz UUZHIMKGRVXZCJ-BRWVUGGUSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001045684782 776038664 /nfs/dbraw/zinc/03/86/64/776038664.db2.gz BIGFYSAWVJFWIJ-IRXDYDNUSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001045684782 776038670 /nfs/dbraw/zinc/03/86/70/776038670.db2.gz BIGFYSAWVJFWIJ-IRXDYDNUSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001040712316 783312863 /nfs/dbraw/zinc/31/28/63/783312863.db2.gz IDXKNEFPCBZFSP-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001040730186 783342065 /nfs/dbraw/zinc/34/20/65/783342065.db2.gz SITNKARDZMXPPL-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219911 783684707 /nfs/dbraw/zinc/68/47/07/783684707.db2.gz RBHXIHATIUGYSI-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219910 783684751 /nfs/dbraw/zinc/68/47/51/783684751.db2.gz RBHXIHATIUGYSI-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070433008 784057795 /nfs/dbraw/zinc/05/77/95/784057795.db2.gz XYYQEKKVWSHSDW-HNNXBMFYSA-N 2 1 341.459 0.934 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070434192 784061096 /nfs/dbraw/zinc/06/10/96/784061096.db2.gz OUUXKJHNZBWSOJ-LSDHHAIUSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070434192 784061103 /nfs/dbraw/zinc/06/11/03/784061103.db2.gz OUUXKJHNZBWSOJ-LSDHHAIUSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070434192 784061110 /nfs/dbraw/zinc/06/11/10/784061110.db2.gz OUUXKJHNZBWSOJ-LSDHHAIUSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NC)C2)CC1 ZINC001072095858 785660876 /nfs/dbraw/zinc/66/08/76/785660876.db2.gz PEMLJKRVIVABSK-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NC)C2)CC1 ZINC001072095858 785660878 /nfs/dbraw/zinc/66/08/78/785660878.db2.gz PEMLJKRVIVABSK-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764861 787157290 /nfs/dbraw/zinc/15/72/90/787157290.db2.gz MMNIBLRJHANIDC-WMZOPIPTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764861 787157292 /nfs/dbraw/zinc/15/72/92/787157292.db2.gz MMNIBLRJHANIDC-WMZOPIPTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC)C2(C1)CCOCC2 ZINC001075432041 789364102 /nfs/dbraw/zinc/36/41/02/789364102.db2.gz CJFSBBZKXDCXTL-SJORKVTESA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC)C2(C1)CCOCC2 ZINC001075432041 789364108 /nfs/dbraw/zinc/36/41/08/789364108.db2.gz CJFSBBZKXDCXTL-SJORKVTESA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425529 789820732 /nfs/dbraw/zinc/82/07/32/789820732.db2.gz AANLQTBSYKUJPI-CVEARBPZSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425529 789820733 /nfs/dbraw/zinc/82/07/33/789820733.db2.gz AANLQTBSYKUJPI-CVEARBPZSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425529 789820737 /nfs/dbraw/zinc/82/07/37/789820737.db2.gz AANLQTBSYKUJPI-CVEARBPZSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928936 790201270 /nfs/dbraw/zinc/20/12/70/790201270.db2.gz LWBRSCUZMBXTRU-XHSDSOJGSA-N 2 1 330.436 0.147 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928936 790201278 /nfs/dbraw/zinc/20/12/78/790201278.db2.gz LWBRSCUZMBXTRU-XHSDSOJGSA-N 2 1 330.436 0.147 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932136 790205142 /nfs/dbraw/zinc/20/51/42/790205142.db2.gz RVZMHNBFWPYSCU-JJXSEGSLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932136 790205143 /nfs/dbraw/zinc/20/51/43/790205143.db2.gz RVZMHNBFWPYSCU-JJXSEGSLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932136 790205146 /nfs/dbraw/zinc/20/51/46/790205146.db2.gz RVZMHNBFWPYSCU-JJXSEGSLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932136 790205149 /nfs/dbraw/zinc/20/51/49/790205149.db2.gz RVZMHNBFWPYSCU-JJXSEGSLSA-N 2 1 332.452 0.536 20 30 ECEDMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267495697 837566166 /nfs/dbraw/zinc/56/61/66/837566166.db2.gz FUSCNJFQQPOABT-HNNXBMFYSA-N 2 1 346.435 0.144 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC=C)C1 ZINC001267535581 837712424 /nfs/dbraw/zinc/71/24/24/837712424.db2.gz BCBAOQHRPOMQKD-SJORKVTESA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC=C)C1 ZINC001267535581 837712431 /nfs/dbraw/zinc/71/24/31/837712431.db2.gz BCBAOQHRPOMQKD-SJORKVTESA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC=C)C1 ZINC001267535581 837712434 /nfs/dbraw/zinc/71/24/34/837712434.db2.gz BCBAOQHRPOMQKD-SJORKVTESA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC=C)C1 ZINC001267535581 837712440 /nfs/dbraw/zinc/71/24/40/837712440.db2.gz BCBAOQHRPOMQKD-SJORKVTESA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]Cc2ncnn2C)C2CC2)CC1 ZINC001266445784 835850015 /nfs/dbraw/zinc/85/00/15/835850015.db2.gz YQUVOAGZGJQJFQ-INIZCTEOSA-N 2 1 344.463 0.145 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266465066 835865845 /nfs/dbraw/zinc/86/58/45/835865845.db2.gz NZHFFCKYGGYXAD-OWCLPIDISA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266465066 835865854 /nfs/dbraw/zinc/86/58/54/835865854.db2.gz NZHFFCKYGGYXAD-OWCLPIDISA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266465066 835865860 /nfs/dbraw/zinc/86/58/60/835865860.db2.gz NZHFFCKYGGYXAD-OWCLPIDISA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266465066 835865868 /nfs/dbraw/zinc/86/58/68/835865868.db2.gz NZHFFCKYGGYXAD-OWCLPIDISA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471098 835872780 /nfs/dbraw/zinc/87/27/80/835872780.db2.gz IGIBQEVLIJZOJW-HOTGVXAUSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471098 835872788 /nfs/dbraw/zinc/87/27/88/835872788.db2.gz IGIBQEVLIJZOJW-HOTGVXAUSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471097 835873654 /nfs/dbraw/zinc/87/36/54/835873654.db2.gz IGIBQEVLIJZOJW-CVEARBPZSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471097 835873659 /nfs/dbraw/zinc/87/36/59/835873659.db2.gz IGIBQEVLIJZOJW-CVEARBPZSA-N 2 1 348.491 0.886 20 30 ECEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520527 835934504 /nfs/dbraw/zinc/93/45/04/835934504.db2.gz OPDMBIOUALXQKO-CVEARBPZSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520527 835934506 /nfs/dbraw/zinc/93/45/06/835934506.db2.gz OPDMBIOUALXQKO-CVEARBPZSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266520527 835934511 /nfs/dbraw/zinc/93/45/11/835934511.db2.gz OPDMBIOUALXQKO-CVEARBPZSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266520527 835934516 /nfs/dbraw/zinc/93/45/16/835934516.db2.gz OPDMBIOUALXQKO-CVEARBPZSA-N 2 1 349.479 0.185 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266567769 835997762 /nfs/dbraw/zinc/99/77/62/835997762.db2.gz RMGADUJPNOZGAA-WMZOPIPTSA-N 2 1 344.459 0.782 20 30 ECEDMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892494 836441344 /nfs/dbraw/zinc/44/13/44/836441344.db2.gz VXZPQSIWRCHOQS-HUUCEWRRSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892494 836441350 /nfs/dbraw/zinc/44/13/50/836441350.db2.gz VXZPQSIWRCHOQS-HUUCEWRRSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266977612 836548907 /nfs/dbraw/zinc/54/89/07/836548907.db2.gz AVCMRZGABVVMLC-INIZCTEOSA-N 2 1 347.434 0.994 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267002214 836595839 /nfs/dbraw/zinc/59/58/39/836595839.db2.gz GSHXOXOWKTVFPZ-SJORKVTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267044614 836671588 /nfs/dbraw/zinc/67/15/88/836671588.db2.gz KFZNLJNHQPCXCC-GJZGRUSLSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267302530 837167830 /nfs/dbraw/zinc/16/78/30/837167830.db2.gz FPPRHHQKEUQIQF-HNNXBMFYSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267302530 837167837 /nfs/dbraw/zinc/16/78/37/837167837.db2.gz FPPRHHQKEUQIQF-HNNXBMFYSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267302530 837167841 /nfs/dbraw/zinc/16/78/41/837167841.db2.gz FPPRHHQKEUQIQF-HNNXBMFYSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302703 837168017 /nfs/dbraw/zinc/16/80/17/837168017.db2.gz GYCDQUXHYITZPU-IAGOWNOFSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302703 837168023 /nfs/dbraw/zinc/16/80/23/837168023.db2.gz GYCDQUXHYITZPU-IAGOWNOFSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302703 837168027 /nfs/dbraw/zinc/16/80/27/837168027.db2.gz GYCDQUXHYITZPU-IAGOWNOFSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267596921 837901768 /nfs/dbraw/zinc/90/17/68/837901768.db2.gz RKTRIVQZLXWYSC-CVEARBPZSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596921 837901776 /nfs/dbraw/zinc/90/17/76/837901776.db2.gz RKTRIVQZLXWYSC-CVEARBPZSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596921 837901785 /nfs/dbraw/zinc/90/17/85/837901785.db2.gz RKTRIVQZLXWYSC-CVEARBPZSA-N 2 1 338.496 0.798 20 30 ECEDMP CC[N@@H+](C)CCC(=O)N(C)CCN1CCN(CC#CCOC)CC1 ZINC001267618401 838050293 /nfs/dbraw/zinc/05/02/93/838050293.db2.gz NVXLRVUAZIRHQL-UHFFFAOYSA-N 2 1 338.496 0.054 20 30 ECEDMP CC[N@H+](C)CCC(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267618401 838050310 /nfs/dbraw/zinc/05/03/10/838050310.db2.gz NVXLRVUAZIRHQL-UHFFFAOYSA-N 2 1 338.496 0.054 20 30 ECEDMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1 ZINC001267618401 838050318 /nfs/dbraw/zinc/05/03/18/838050318.db2.gz NVXLRVUAZIRHQL-UHFFFAOYSA-N 2 1 338.496 0.054 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001267618841 838050662 /nfs/dbraw/zinc/05/06/62/838050662.db2.gz TUIKGZNNZNUBPZ-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001267618841 838050676 /nfs/dbraw/zinc/05/06/76/838050676.db2.gz TUIKGZNNZNUBPZ-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702713 838300447 /nfs/dbraw/zinc/30/04/47/838300447.db2.gz IJJQZDSDMZRZII-HZPDHXFCSA-N 2 1 346.475 0.000 20 30 ECEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800136 838577848 /nfs/dbraw/zinc/57/78/48/838577848.db2.gz NEUISGPCDUWSDX-ROUUACIJSA-N 2 1 347.434 0.992 20 30 ECEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800136 838577853 /nfs/dbraw/zinc/57/78/53/838577853.db2.gz NEUISGPCDUWSDX-ROUUACIJSA-N 2 1 347.434 0.992 20 30 ECEDMP CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000329646104 285187493 /nfs/dbraw/zinc/18/74/93/285187493.db2.gz IVBUIIVHKLVZAH-HNNXBMFYSA-N 2 1 325.501 0.858 20 30 ECEDMP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCN1C1CC[NH+](C)CC1 ZINC000330828948 254643852 /nfs/dbraw/zinc/64/38/52/254643852.db2.gz IHWVBGZJBIVBAI-INIZCTEOSA-N 2 1 335.496 0.849 20 30 ECEDMP N#Cc1ccc2ncc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)n2c1 ZINC000123645876 222310629 /nfs/dbraw/zinc/31/06/29/222310629.db2.gz IOHUHDYJQDYORB-OAHLLOKOSA-N 2 1 340.431 0.883 20 30 ECEDMP N#Cc1ccc2ncc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)n2c1 ZINC000123645876 222310631 /nfs/dbraw/zinc/31/06/31/222310631.db2.gz IOHUHDYJQDYORB-OAHLLOKOSA-N 2 1 340.431 0.883 20 30 ECEDMP C=CCNC(=O)[C@H](C)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109790108 436625795 /nfs/dbraw/zinc/62/57/95/436625795.db2.gz GGFYORDADBDTOC-HNNXBMFYSA-N 2 1 336.480 0.553 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000152377692 436727483 /nfs/dbraw/zinc/72/74/83/436727483.db2.gz IBWWTIPAMISCMA-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000264130786 437016427 /nfs/dbraw/zinc/01/64/27/437016427.db2.gz YAUKAANUMLJCQB-UHFFFAOYSA-N 2 1 332.452 0.241 20 30 ECEDMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NC1CC1 ZINC000264126034 437016491 /nfs/dbraw/zinc/01/64/91/437016491.db2.gz WPFKXTNVMQZERL-UHFFFAOYSA-N 2 1 345.447 0.914 20 30 ECEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264137576 437017220 /nfs/dbraw/zinc/01/72/20/437017220.db2.gz VQEYHFUPJMZJHO-CQSZACIVSA-N 2 1 347.463 0.513 20 30 ECEDMP CCc1cccc(NC(=O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264322374 437019854 /nfs/dbraw/zinc/01/98/54/437019854.db2.gz XYLPNVCMOLNCGP-UHFFFAOYSA-N 2 1 347.463 0.814 20 30 ECEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)NCc1ccco1 ZINC000264051923 437015427 /nfs/dbraw/zinc/01/54/27/437015427.db2.gz MRIDCCGKPLLIQK-HNNXBMFYSA-N 2 1 335.452 0.887 20 30 ECEDMP NC(=O)C[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000341880662 303258107 /nfs/dbraw/zinc/25/81/07/303258107.db2.gz GRKAILLEOLPUJL-HOTGVXAUSA-N 2 1 334.464 0.450 20 30 ECEDMP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000328691514 437252829 /nfs/dbraw/zinc/25/28/29/437252829.db2.gz DXAZFILURYKECK-OAHLLOKOSA-N 2 1 339.484 0.386 20 30 ECEDMP CC[N@H+]1CCC[C@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000328691514 437252836 /nfs/dbraw/zinc/25/28/36/437252836.db2.gz DXAZFILURYKECK-OAHLLOKOSA-N 2 1 339.484 0.386 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000330139113 437458692 /nfs/dbraw/zinc/45/86/92/437458692.db2.gz OSFSRLCDFNISNU-GDBMZVCRSA-N 2 1 349.479 0.376 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330139113 437458695 /nfs/dbraw/zinc/45/86/95/437458695.db2.gz OSFSRLCDFNISNU-GDBMZVCRSA-N 2 1 349.479 0.376 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330139113 437458697 /nfs/dbraw/zinc/45/86/97/437458697.db2.gz OSFSRLCDFNISNU-GDBMZVCRSA-N 2 1 349.479 0.376 20 30 ECEDMP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000330427850 437509617 /nfs/dbraw/zinc/50/96/17/437509617.db2.gz UCVQLJZHGPYHEV-CQSZACIVSA-N 2 1 339.484 0.432 20 30 ECEDMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000330427850 437509620 /nfs/dbraw/zinc/50/96/20/437509620.db2.gz UCVQLJZHGPYHEV-CQSZACIVSA-N 2 1 339.484 0.432 20 30 ECEDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773559 439128842 /nfs/dbraw/zinc/12/88/42/439128842.db2.gz DPLNLCSMQQQAHX-QZTJIDSGSA-N 2 1 347.459 0.980 20 30 ECEDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773557 439129058 /nfs/dbraw/zinc/12/90/58/439129058.db2.gz DPLNLCSMQQQAHX-MSOLQXFVSA-N 2 1 347.459 0.980 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000491304225 439364514 /nfs/dbraw/zinc/36/45/14/439364514.db2.gz FCUHYDORTPVMNP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000491304225 439364518 /nfs/dbraw/zinc/36/45/18/439364518.db2.gz FCUHYDORTPVMNP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000491304225 439364522 /nfs/dbraw/zinc/36/45/22/439364522.db2.gz FCUHYDORTPVMNP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C=C(CNC(=O)C[NH+](C)C1CCC1)CNC(=O)C[N@H+](C)C1CCC1 ZINC000630016236 440833074 /nfs/dbraw/zinc/83/30/74/440833074.db2.gz GEUGUWIAIOYXHF-UHFFFAOYSA-N 2 1 336.480 0.744 20 30 ECEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000564452286 322375635 /nfs/dbraw/zinc/37/56/35/322375635.db2.gz DMNWWTNGVYMUNP-SJORKVTESA-N 2 1 333.432 0.734 20 30 ECEDMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)n1cnc(C#N)n1 ZINC000619613035 546347957 /nfs/dbraw/zinc/34/79/57/546347957.db2.gz MDMMEXCWGMXQFK-DZGCQCFKSA-N 2 1 345.451 0.338 20 30 ECEDMP C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613035 546347959 /nfs/dbraw/zinc/34/79/59/546347959.db2.gz MDMMEXCWGMXQFK-DZGCQCFKSA-N 2 1 345.451 0.338 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000896487717 586243738 /nfs/dbraw/zinc/24/37/38/586243738.db2.gz BOEJOOQQFQSOKH-YESZJQIVSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000896487717 586243741 /nfs/dbraw/zinc/24/37/41/586243741.db2.gz BOEJOOQQFQSOKH-YESZJQIVSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000896487717 586243743 /nfs/dbraw/zinc/24/37/43/586243743.db2.gz BOEJOOQQFQSOKH-YESZJQIVSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000896487717 586243746 /nfs/dbraw/zinc/24/37/46/586243746.db2.gz BOEJOOQQFQSOKH-YESZJQIVSA-N 2 1 334.464 0.325 20 30 ECEDMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)CC2)cs1 ZINC000844195166 589102519 /nfs/dbraw/zinc/10/25/19/589102519.db2.gz QVZKHLREBHTGCI-HIFRSBDPSA-N 2 1 333.461 0.891 20 30 ECEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000820086493 587508366 /nfs/dbraw/zinc/50/83/66/587508366.db2.gz GBXXGCMUXJPWIC-DOTOQJQBSA-N 2 1 338.496 0.986 20 30 ECEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000820086493 587508368 /nfs/dbraw/zinc/50/83/68/587508368.db2.gz GBXXGCMUXJPWIC-DOTOQJQBSA-N 2 1 338.496 0.986 20 30 ECEDMP C#CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000848221124 589283655 /nfs/dbraw/zinc/28/36/55/589283655.db2.gz PIFQEFQODAYBII-QGZVFWFLSA-N 2 1 349.475 0.864 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849595473 589342163 /nfs/dbraw/zinc/34/21/63/589342163.db2.gz HUMJBLNOLOJYAB-SJORKVTESA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849595473 589342165 /nfs/dbraw/zinc/34/21/65/589342165.db2.gz HUMJBLNOLOJYAB-SJORKVTESA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849595473 589342167 /nfs/dbraw/zinc/34/21/67/589342167.db2.gz HUMJBLNOLOJYAB-SJORKVTESA-N 2 1 331.464 0.527 20 30 ECEDMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751215 590409188 /nfs/dbraw/zinc/40/91/88/590409188.db2.gz MPAOQWIZLPJWCZ-FUHWJXTLSA-N 2 1 342.443 0.972 20 30 ECEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751215 590409190 /nfs/dbraw/zinc/40/91/90/590409190.db2.gz MPAOQWIZLPJWCZ-FUHWJXTLSA-N 2 1 342.443 0.972 20 30 ECEDMP COCC[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876875344 590421062 /nfs/dbraw/zinc/42/10/62/590421062.db2.gz SCCHJYJAVRNEPK-SFHVURJKSA-N 2 1 342.443 0.926 20 30 ECEDMP COCC[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876875344 590421065 /nfs/dbraw/zinc/42/10/65/590421065.db2.gz SCCHJYJAVRNEPK-SFHVURJKSA-N 2 1 342.443 0.926 20 30 ECEDMP CC(C)OCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884225652 590781671 /nfs/dbraw/zinc/78/16/71/590781671.db2.gz ZISQQIKMQBRTPK-UPTPFMHGSA-N 2 1 334.464 0.695 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000884321607 590804913 /nfs/dbraw/zinc/80/49/13/590804913.db2.gz SSEVWOHEWPNEHZ-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000884321607 590804914 /nfs/dbraw/zinc/80/49/14/590804914.db2.gz SSEVWOHEWPNEHZ-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000884321607 590804917 /nfs/dbraw/zinc/80/49/17/590804917.db2.gz SSEVWOHEWPNEHZ-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000884321607 590804921 /nfs/dbraw/zinc/80/49/21/590804921.db2.gz SSEVWOHEWPNEHZ-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390332 590818204 /nfs/dbraw/zinc/81/82/04/590818204.db2.gz TUNGHQSLGUIZEZ-GLIYIDQPSA-N 2 1 334.464 0.740 20 30 ECEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390332 590818209 /nfs/dbraw/zinc/81/82/09/590818209.db2.gz TUNGHQSLGUIZEZ-GLIYIDQPSA-N 2 1 334.464 0.740 20 30 ECEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(N3CC[NH2+]CC3)ccn1)C2 ZINC000884462724 590834653 /nfs/dbraw/zinc/83/46/53/590834653.db2.gz MWEYBCWDBJUSGP-FVRSWCFKSA-N 2 1 340.431 0.569 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000938171074 609483477 /nfs/dbraw/zinc/48/34/77/609483477.db2.gz VSSFUSZRRQPPQT-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000938171074 609483480 /nfs/dbraw/zinc/48/34/80/609483480.db2.gz VSSFUSZRRQPPQT-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C[C@H](CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912505688 609962688 /nfs/dbraw/zinc/96/26/88/609962688.db2.gz DMFPOZNALCSXFA-OAHLLOKOSA-N 2 1 327.517 0.993 20 30 ECEDMP C#CCN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456528 610318707 /nfs/dbraw/zinc/31/87/07/610318707.db2.gz QUFXYFMBVYMJRS-WMZOPIPTSA-N 2 1 330.476 0.465 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000941238152 610622427 /nfs/dbraw/zinc/62/24/27/610622427.db2.gz VRYHYCWLJBJWRL-OAGGEKHMSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000941238152 610622429 /nfs/dbraw/zinc/62/24/29/610622429.db2.gz VRYHYCWLJBJWRL-OAGGEKHMSA-N 2 1 334.464 0.141 20 30 ECEDMP C=CCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408510 610722580 /nfs/dbraw/zinc/72/25/80/610722580.db2.gz JJDAIXPFVIIIFG-IRXDYDNUSA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408510 610722581 /nfs/dbraw/zinc/72/25/81/610722581.db2.gz JJDAIXPFVIIIFG-IRXDYDNUSA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408510 610722582 /nfs/dbraw/zinc/72/25/82/610722582.db2.gz JJDAIXPFVIIIFG-IRXDYDNUSA-N 2 1 332.492 0.875 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000929566894 611765475 /nfs/dbraw/zinc/76/54/75/611765475.db2.gz GXBKKEKYICURLG-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000953907169 612427243 /nfs/dbraw/zinc/42/72/43/612427243.db2.gz YSDQVLPPYRLHQP-QGZVFWFLSA-N 2 1 346.475 0.095 20 30 ECEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[NH+](CC(C)C)CC1 ZINC000087193626 612509056 /nfs/dbraw/zinc/50/90/56/612509056.db2.gz XVIIHFMICDYTMI-UHFFFAOYSA-N 2 1 335.500 0.835 20 30 ECEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001208428414 731794877 /nfs/dbraw/zinc/79/48/77/731794877.db2.gz UPAIFJWTJVAEIT-QGPMSJSTSA-N 2 1 344.459 0.840 20 30 ECEDMP COCC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001208428414 731794880 /nfs/dbraw/zinc/79/48/80/731794880.db2.gz UPAIFJWTJVAEIT-QGPMSJSTSA-N 2 1 344.459 0.840 20 30 ECEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111984036 738737559 /nfs/dbraw/zinc/73/75/59/738737559.db2.gz WJWGKIAHVQXVTL-VKJFTORMSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984036 738737562 /nfs/dbraw/zinc/73/75/62/738737562.db2.gz WJWGKIAHVQXVTL-VKJFTORMSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984036 738737564 /nfs/dbraw/zinc/73/75/64/738737564.db2.gz WJWGKIAHVQXVTL-VKJFTORMSA-N 2 1 334.464 0.211 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639510 736206336 /nfs/dbraw/zinc/20/63/36/736206336.db2.gz AAMSARVHLYHSOU-HNNXBMFYSA-N 2 1 336.480 0.342 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565122 736266412 /nfs/dbraw/zinc/26/64/12/736266412.db2.gz MOWUQTOPXYSZMX-OTWHNJEPSA-N 2 1 341.455 0.925 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565122 736266416 /nfs/dbraw/zinc/26/64/16/736266416.db2.gz MOWUQTOPXYSZMX-OTWHNJEPSA-N 2 1 341.455 0.925 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nccc(C)n3)C2)CC1 ZINC001023128921 736524077 /nfs/dbraw/zinc/52/40/77/736524077.db2.gz YTPLWOMULJPSQF-CALCHBBNSA-N 2 1 341.459 0.867 20 30 ECEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262368828 736959868 /nfs/dbraw/zinc/95/98/68/736959868.db2.gz IEEITRVTNURRMJ-GDBMZVCRSA-N 2 1 342.509 0.084 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC(=O)NC)CC2)CC1 ZINC001006443519 751390253 /nfs/dbraw/zinc/39/02/53/751390253.db2.gz FSIXOUQZCHPURB-UHFFFAOYSA-N 2 1 334.464 0.000 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001026140508 740410649 /nfs/dbraw/zinc/41/06/49/740410649.db2.gz WZZCNNMMXUMACR-QFXBJFAPSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140508 740410652 /nfs/dbraw/zinc/41/06/52/740410652.db2.gz WZZCNNMMXUMACR-QFXBJFAPSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140508 740410655 /nfs/dbraw/zinc/41/06/55/740410655.db2.gz WZZCNNMMXUMACR-QFXBJFAPSA-N 2 1 346.475 0.162 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCn2cccn2)CC1 ZINC001026508835 741496208 /nfs/dbraw/zinc/49/62/08/741496208.db2.gz NORMXWPFVTZQRF-ABHNRTSZSA-N 2 1 343.475 0.998 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCn2cccn2)CC1 ZINC001026508835 741496211 /nfs/dbraw/zinc/49/62/11/741496211.db2.gz NORMXWPFVTZQRF-ABHNRTSZSA-N 2 1 343.475 0.998 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240213 741530422 /nfs/dbraw/zinc/53/04/22/741530422.db2.gz CXTVCYCTHFVFEX-INIZCTEOSA-N 2 1 332.452 0.810 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240213 741530425 /nfs/dbraw/zinc/53/04/25/741530425.db2.gz CXTVCYCTHFVFEX-INIZCTEOSA-N 2 1 332.452 0.810 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259754 741585862 /nfs/dbraw/zinc/58/58/62/741585862.db2.gz LCJCCFRSJJVAQZ-INIZCTEOSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150607 751656174 /nfs/dbraw/zinc/65/61/74/751656174.db2.gz MBCKVODQOYRFJL-KRWDZBQOSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2CC)C1 ZINC001026893558 742038473 /nfs/dbraw/zinc/03/84/73/742038473.db2.gz KGLRSORWLXHXMR-RDJZCZTQSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2CC)C1 ZINC001026893558 742038480 /nfs/dbraw/zinc/03/84/80/742038480.db2.gz KGLRSORWLXHXMR-RDJZCZTQSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001029003238 743156687 /nfs/dbraw/zinc/15/66/87/743156687.db2.gz JPPKGOIHAFIJJU-MRXNPFEDSA-N 2 1 344.463 0.061 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3cnsn3)C2)CC1 ZINC001027233350 743243970 /nfs/dbraw/zinc/24/39/70/743243970.db2.gz AOOUBKLTBHNXKH-CQSZACIVSA-N 2 1 347.488 0.821 20 30 ECEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262012200 743427594 /nfs/dbraw/zinc/42/75/94/743427594.db2.gz WVEBHYRCTMDRQO-GXTWGEPZSA-N 2 1 331.468 0.762 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997830823 743842114 /nfs/dbraw/zinc/84/21/14/743842114.db2.gz BMNNWEROJGEWPU-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997830823 743842118 /nfs/dbraw/zinc/84/21/18/743842118.db2.gz BMNNWEROJGEWPU-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998584266 744242554 /nfs/dbraw/zinc/24/25/54/744242554.db2.gz DDOOKGXQXRXUQD-DAWZGUTISA-N 2 1 342.443 0.968 20 30 ECEDMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998584266 744242556 /nfs/dbraw/zinc/24/25/56/744242556.db2.gz DDOOKGXQXRXUQD-DAWZGUTISA-N 2 1 342.443 0.968 20 30 ECEDMP CCc1nsc(N2CCN(C(NC[C@@H](C)[NH+](C)C)=[NH+]C)CC2)n1 ZINC000261655062 751931322 /nfs/dbraw/zinc/93/13/22/751931322.db2.gz AJDLKGWPZNZKLT-GFCCVEGCSA-N 2 1 339.513 0.748 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999391669 744672031 /nfs/dbraw/zinc/67/20/31/744672031.db2.gz NJOKFKDWSJJXNX-WMZOPIPTSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999391669 744672032 /nfs/dbraw/zinc/67/20/32/744672032.db2.gz NJOKFKDWSJJXNX-WMZOPIPTSA-N 2 1 343.475 0.641 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC#CCOC)CC2)C1 ZINC001168241086 751962098 /nfs/dbraw/zinc/96/20/98/751962098.db2.gz QMPJDTIYKYPIJG-INIZCTEOSA-N 2 1 337.464 0.233 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC#CCOC)CC2)C1 ZINC001168241086 751962103 /nfs/dbraw/zinc/96/21/03/751962103.db2.gz QMPJDTIYKYPIJG-INIZCTEOSA-N 2 1 337.464 0.233 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3ccn4c[nH+]cc4c3)nn2)C1 ZINC001000005144 745172238 /nfs/dbraw/zinc/17/22/38/745172238.db2.gz ZKMBOTWFHJNDTP-INIZCTEOSA-N 2 1 349.398 0.736 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCc2cn([C@H]3CC[N@H+](CC)C3)nn2)CC1 ZINC001000046878 745228062 /nfs/dbraw/zinc/22/80/62/745228062.db2.gz WZEUHIIYVRVQTI-KRWDZBQOSA-N 2 1 344.463 0.506 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC000984802906 746973725 /nfs/dbraw/zinc/97/37/25/746973725.db2.gz FHKRSZZJIYLJEB-QBPKDAKJSA-N 2 1 348.491 0.600 20 30 ECEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047249 747144936 /nfs/dbraw/zinc/14/49/36/747144936.db2.gz NTAHROMQYZURFT-ASLPWWTFSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047249 747144942 /nfs/dbraw/zinc/14/49/42/747144942.db2.gz NTAHROMQYZURFT-ASLPWWTFSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047249 747144947 /nfs/dbraw/zinc/14/49/47/747144947.db2.gz NTAHROMQYZURFT-ASLPWWTFSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC000979084084 747150154 /nfs/dbraw/zinc/15/01/54/747150154.db2.gz DFYXOBVVLXRLPE-DSLXNQLJSA-N 2 1 345.487 0.662 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)CC1 ZINC000979089028 747156512 /nfs/dbraw/zinc/15/65/12/747156512.db2.gz NVYGPWKIMUHDGY-NNZMDNLPSA-N 2 1 342.443 0.814 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)CC1 ZINC000979089028 747156515 /nfs/dbraw/zinc/15/65/15/747156515.db2.gz NVYGPWKIMUHDGY-NNZMDNLPSA-N 2 1 342.443 0.814 20 30 ECEDMP [NH2+]=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncccn2)CC1 ZINC000262446495 747561813 /nfs/dbraw/zinc/56/18/13/747561813.db2.gz CTUGZBWQVLBYOC-ZDUSSCGKSA-N 2 1 326.408 0.125 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001002834759 747855290 /nfs/dbraw/zinc/85/52/90/747855290.db2.gz ICQWNPRXZNGNFN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001002834759 747855297 /nfs/dbraw/zinc/85/52/97/747855297.db2.gz ICQWNPRXZNGNFN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001002834759 747855305 /nfs/dbraw/zinc/85/53/05/747855305.db2.gz ICQWNPRXZNGNFN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001002834759 747855313 /nfs/dbraw/zinc/85/53/13/747855313.db2.gz ICQWNPRXZNGNFN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001003056218 748124468 /nfs/dbraw/zinc/12/44/68/748124468.db2.gz NEEPMQHHTXPIBW-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001003056218 748124473 /nfs/dbraw/zinc/12/44/73/748124473.db2.gz NEEPMQHHTXPIBW-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303908243 748177564 /nfs/dbraw/zinc/17/75/64/748177564.db2.gz XJILRHSWMVZYTM-HZPDHXFCSA-N 2 1 325.501 0.733 20 30 ECEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303908243 748177569 /nfs/dbraw/zinc/17/75/69/748177569.db2.gz XJILRHSWMVZYTM-HZPDHXFCSA-N 3 1 325.501 0.733 20 30 ECEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303908243 748177573 /nfs/dbraw/zinc/17/75/73/748177573.db2.gz XJILRHSWMVZYTM-HZPDHXFCSA-N 3 1 325.501 0.733 20 30 ECEDMP C[NH+]=C(NCCN1CCSCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262764583 749678475 /nfs/dbraw/zinc/67/84/75/749678475.db2.gz FQFPJIUCXHXIBI-UONOGXRCSA-N 2 1 325.526 0.825 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC000981842896 751183619 /nfs/dbraw/zinc/18/36/19/751183619.db2.gz OUKUABDUVFMHLO-UHFFFAOYSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N(C)C)CC1 ZINC001028333062 752400853 /nfs/dbraw/zinc/40/08/53/752400853.db2.gz BYZWVPGWRXPWMW-MRXNPFEDSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C)CC1 ZINC001028333062 752400857 /nfs/dbraw/zinc/40/08/57/752400857.db2.gz BYZWVPGWRXPWMW-MRXNPFEDSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccnn2C)CC1 ZINC001028333832 752412497 /nfs/dbraw/zinc/41/24/97/752412497.db2.gz RPQZXRGKAJGDQW-KRWDZBQOSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccnn2C)CC1 ZINC001028333832 752412501 /nfs/dbraw/zinc/41/25/01/752412501.db2.gz RPQZXRGKAJGDQW-KRWDZBQOSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)CC1 ZINC001028334038 752413272 /nfs/dbraw/zinc/41/32/72/752413272.db2.gz VCLMCWLYPKNFBQ-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C)s3)C2)CC1 ZINC001021089700 752528944 /nfs/dbraw/zinc/52/89/44/752528944.db2.gz JBHSLFTUVUNADF-SHTZXODSSA-N 2 1 347.488 0.929 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462650 753286926 /nfs/dbraw/zinc/28/69/26/753286926.db2.gz SSDJQRXWPNMPJQ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462650 753286932 /nfs/dbraw/zinc/28/69/32/753286932.db2.gz SSDJQRXWPNMPJQ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462650 753286938 /nfs/dbraw/zinc/28/69/38/753286938.db2.gz SSDJQRXWPNMPJQ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001098681633 753638911 /nfs/dbraw/zinc/63/89/11/753638911.db2.gz VQYVCEXIOISKDS-OAHLLOKOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105376952 754070425 /nfs/dbraw/zinc/07/04/25/754070425.db2.gz NAQIEZVZNMCSES-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105376952 754070429 /nfs/dbraw/zinc/07/04/29/754070429.db2.gz NAQIEZVZNMCSES-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)C[C@@H]2C)CC1 ZINC000989829108 754498317 /nfs/dbraw/zinc/49/83/17/754498317.db2.gz OGJSSBHDSXUAAJ-GOEBONIOSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC000983324107 755213099 /nfs/dbraw/zinc/21/30/99/755213099.db2.gz ZHXKXVZKOVDZDC-YHUYYLMFSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105667107 755600663 /nfs/dbraw/zinc/60/06/63/755600663.db2.gz OBLQBNXBQFAYAN-ZAWLATJESA-N 2 1 335.492 0.928 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)CC1 ZINC001076605643 756724808 /nfs/dbraw/zinc/72/48/08/756724808.db2.gz LHFPKOSVDMSFMM-GVDBMIGSSA-N 2 1 346.475 0.128 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861395 757210184 /nfs/dbraw/zinc/21/01/84/757210184.db2.gz LKOUASJHOCYPJT-IXDOHACOSA-N 2 1 331.464 0.780 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861395 757210188 /nfs/dbraw/zinc/21/01/88/757210188.db2.gz LKOUASJHOCYPJT-IXDOHACOSA-N 2 1 331.464 0.780 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001107210854 757697700 /nfs/dbraw/zinc/69/77/00/757697700.db2.gz GJXODYFSEMGRSW-WMLDXEAASA-N 2 1 346.479 0.915 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015217 757926293 /nfs/dbraw/zinc/92/62/93/757926293.db2.gz HUWBPSGQHDZYDZ-VQHPVUNQSA-N 2 1 337.464 0.081 20 30 ECEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015217 757926297 /nfs/dbraw/zinc/92/62/97/757926297.db2.gz HUWBPSGQHDZYDZ-VQHPVUNQSA-N 2 1 337.464 0.081 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001022070543 758235375 /nfs/dbraw/zinc/23/53/75/758235375.db2.gz WFAZQNFWQXJEIR-YVSFHVDLSA-N 2 1 348.491 0.883 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328920 758300271 /nfs/dbraw/zinc/30/02/71/758300271.db2.gz CAPBXXVCGUVGPV-GPMSIDNRSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328920 758300280 /nfs/dbraw/zinc/30/02/80/758300280.db2.gz CAPBXXVCGUVGPV-GPMSIDNRSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328920 758300292 /nfs/dbraw/zinc/30/02/92/758300292.db2.gz CAPBXXVCGUVGPV-GPMSIDNRSA-N 2 1 348.491 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC001051660581 762619913 /nfs/dbraw/zinc/61/99/13/762619913.db2.gz XRKQXJPUVVEDTD-IRXDYDNUSA-N 2 1 346.431 0.398 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC001051660581 762619917 /nfs/dbraw/zinc/61/99/17/762619917.db2.gz XRKQXJPUVVEDTD-IRXDYDNUSA-N 2 1 346.431 0.398 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1=O ZINC001127674865 763281984 /nfs/dbraw/zinc/28/19/84/763281984.db2.gz MNFXWQGIYLVLBY-LSDHHAIUSA-N 2 1 347.463 0.889 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046995374 763534583 /nfs/dbraw/zinc/53/45/83/763534583.db2.gz IOCVCPOQRYCMRJ-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995374 763534591 /nfs/dbraw/zinc/53/45/91/763534591.db2.gz IOCVCPOQRYCMRJ-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995374 763534599 /nfs/dbraw/zinc/53/45/99/763534599.db2.gz IOCVCPOQRYCMRJ-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995374 763534606 /nfs/dbraw/zinc/53/46/06/763534606.db2.gz IOCVCPOQRYCMRJ-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001052457799 764541446 /nfs/dbraw/zinc/54/14/46/764541446.db2.gz VWMIIYIXGFTZMA-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001052457799 764541452 /nfs/dbraw/zinc/54/14/52/764541452.db2.gz VWMIIYIXGFTZMA-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001052457799 764541460 /nfs/dbraw/zinc/54/14/60/764541460.db2.gz VWMIIYIXGFTZMA-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001052457799 764541468 /nfs/dbraw/zinc/54/14/68/764541468.db2.gz VWMIIYIXGFTZMA-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572943 764782278 /nfs/dbraw/zinc/78/22/78/764782278.db2.gz RDIZQVREHFYRDC-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572943 764782284 /nfs/dbraw/zinc/78/22/84/764782284.db2.gz RDIZQVREHFYRDC-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572943 764782293 /nfs/dbraw/zinc/78/22/93/764782293.db2.gz RDIZQVREHFYRDC-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573525 764783780 /nfs/dbraw/zinc/78/37/80/764783780.db2.gz XVSLKINVPWDLAL-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573525 764783787 /nfs/dbraw/zinc/78/37/87/764783787.db2.gz XVSLKINVPWDLAL-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573525 764783791 /nfs/dbraw/zinc/78/37/91/764783791.db2.gz XVSLKINVPWDLAL-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335868 766141629 /nfs/dbraw/zinc/14/16/29/766141629.db2.gz GVCGZCKDSKXLHS-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335868 766141634 /nfs/dbraw/zinc/14/16/34/766141634.db2.gz GVCGZCKDSKXLHS-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035788 766723079 /nfs/dbraw/zinc/72/30/79/766723079.db2.gz SRMPLMDWDNITSY-OALUTQOASA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035788 766723086 /nfs/dbraw/zinc/72/30/86/766723086.db2.gz SRMPLMDWDNITSY-OALUTQOASA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035788 766723090 /nfs/dbraw/zinc/72/30/90/766723090.db2.gz SRMPLMDWDNITSY-OALUTQOASA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058894 766820164 /nfs/dbraw/zinc/82/01/64/766820164.db2.gz VMENVQBLWKORRT-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069995 766870969 /nfs/dbraw/zinc/87/09/69/766870969.db2.gz LBPYURCGDOPNPT-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076761 766905512 /nfs/dbraw/zinc/90/55/12/766905512.db2.gz PRGCHVUQGXNEHV-QGZVFWFLSA-N 2 1 332.492 0.877 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC001046080037 766914965 /nfs/dbraw/zinc/91/49/65/766914965.db2.gz KEZLPOGNPAWSDC-ICSRJNTNSA-N 2 1 344.503 0.714 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)C1 ZINC001046080037 766914969 /nfs/dbraw/zinc/91/49/69/766914969.db2.gz KEZLPOGNPAWSDC-ICSRJNTNSA-N 2 1 344.503 0.714 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)C1 ZINC001046080037 766914971 /nfs/dbraw/zinc/91/49/71/766914971.db2.gz KEZLPOGNPAWSDC-ICSRJNTNSA-N 2 1 344.503 0.714 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780022 766986150 /nfs/dbraw/zinc/98/61/50/766986150.db2.gz OUHTUCPZNGHHOR-MRXNPFEDSA-N 2 1 332.452 0.813 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCN2CCCC2=O)C1 ZINC001031742409 766998786 /nfs/dbraw/zinc/99/87/86/766998786.db2.gz DZAMQGMXLMWQIS-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCN2CCCC2=O)C1 ZINC001031742409 766998795 /nfs/dbraw/zinc/99/87/95/766998795.db2.gz DZAMQGMXLMWQIS-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518229 771398788 /nfs/dbraw/zinc/39/87/88/771398788.db2.gz DBYXBRIECKZDDM-ZDUSSCGKSA-N 2 1 346.269 0.808 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001020213970 772295705 /nfs/dbraw/zinc/29/57/05/772295705.db2.gz BYSWQOJGNYEXPN-VQHPVUNQSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(C)=O)CC1 ZINC001079161786 780838205 /nfs/dbraw/zinc/83/82/05/780838205.db2.gz HOCONQMQPYQNHH-SFHVURJKSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCN(C(C)=O)CC1 ZINC001079161786 780838219 /nfs/dbraw/zinc/83/82/19/780838219.db2.gz HOCONQMQPYQNHH-SFHVURJKSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070209110 783661146 /nfs/dbraw/zinc/66/11/46/783661146.db2.gz MOGTWTQETQZOQS-ZACQAIPSSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070388968 783939444 /nfs/dbraw/zinc/93/94/44/783939444.db2.gz WBXLRSHKDZIDRA-IRXDYDNUSA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070388968 783939447 /nfs/dbraw/zinc/93/94/47/783939447.db2.gz WBXLRSHKDZIDRA-IRXDYDNUSA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070388968 783939449 /nfs/dbraw/zinc/93/94/49/783939449.db2.gz WBXLRSHKDZIDRA-IRXDYDNUSA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070388968 783939450 /nfs/dbraw/zinc/93/94/50/783939450.db2.gz WBXLRSHKDZIDRA-IRXDYDNUSA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001070409645 783997086 /nfs/dbraw/zinc/99/70/86/783997086.db2.gz IZLJNUDSBUIFDV-DOTOQJQBSA-N 2 1 341.459 0.790 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432988 784058491 /nfs/dbraw/zinc/05/84/91/784058491.db2.gz XEALUVCKJHRWQB-HNNXBMFYSA-N 2 1 341.459 0.934 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070433799 784059502 /nfs/dbraw/zinc/05/95/02/784059502.db2.gz DRYPLDBOZUYHIE-HUUCEWRRSA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070433799 784059509 /nfs/dbraw/zinc/05/95/09/784059509.db2.gz DRYPLDBOZUYHIE-HUUCEWRRSA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070433799 784059516 /nfs/dbraw/zinc/05/95/16/784059516.db2.gz DRYPLDBOZUYHIE-HUUCEWRRSA-N 2 1 329.448 0.790 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001070999871 784368201 /nfs/dbraw/zinc/36/82/01/784368201.db2.gz DENOAMCGMUWZGB-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001070999871 784368210 /nfs/dbraw/zinc/36/82/10/784368210.db2.gz DENOAMCGMUWZGB-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001070999871 784368219 /nfs/dbraw/zinc/36/82/19/784368219.db2.gz DENOAMCGMUWZGB-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001070999871 784368228 /nfs/dbraw/zinc/36/82/28/784368228.db2.gz DENOAMCGMUWZGB-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001070649306 784496187 /nfs/dbraw/zinc/49/61/87/784496187.db2.gz ZFCCVMODLDQNPU-KLHDSHLOSA-N 2 1 329.448 0.278 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001070655461 784507723 /nfs/dbraw/zinc/50/77/23/784507723.db2.gz MTVZHUBEGVMQKH-HZPDHXFCSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@@H](C)O2 ZINC001071186045 784690241 /nfs/dbraw/zinc/69/02/41/784690241.db2.gz PPGDESMAIGCLQM-SJLPKXTDSA-N 2 1 331.460 0.940 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267560567 837773581 /nfs/dbraw/zinc/77/35/81/837773581.db2.gz AYZYPBBKKRRJCM-XHSDSOJGSA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267560567 837773583 /nfs/dbraw/zinc/77/35/83/837773583.db2.gz AYZYPBBKKRRJCM-XHSDSOJGSA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267560567 837773589 /nfs/dbraw/zinc/77/35/89/837773589.db2.gz AYZYPBBKKRRJCM-XHSDSOJGSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361874 835772316 /nfs/dbraw/zinc/77/23/16/835772316.db2.gz UEYGQOBAVLOUPL-NVXWUHKLSA-N 2 1 346.475 0.213 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361874 835772325 /nfs/dbraw/zinc/77/23/25/835772325.db2.gz UEYGQOBAVLOUPL-NVXWUHKLSA-N 2 1 346.475 0.213 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473146 835876242 /nfs/dbraw/zinc/87/62/42/835876242.db2.gz WTLAKZDFCLLPOU-INIZCTEOSA-N 2 1 347.463 0.664 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473146 835876245 /nfs/dbraw/zinc/87/62/45/835876245.db2.gz WTLAKZDFCLLPOU-INIZCTEOSA-N 2 1 347.463 0.664 20 30 ECEDMP C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266483202 835882585 /nfs/dbraw/zinc/88/25/85/835882585.db2.gz QFXIQITTYVWFLT-HNNXBMFYSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266483202 835882590 /nfs/dbraw/zinc/88/25/90/835882590.db2.gz QFXIQITTYVWFLT-HNNXBMFYSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266483202 835882593 /nfs/dbraw/zinc/88/25/93/835882593.db2.gz QFXIQITTYVWFLT-HNNXBMFYSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266483202 835882596 /nfs/dbraw/zinc/88/25/96/835882596.db2.gz QFXIQITTYVWFLT-HNNXBMFYSA-N 2 1 338.496 0.847 20 30 ECEDMP CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001267391901 837339682 /nfs/dbraw/zinc/33/96/82/837339682.db2.gz UXNRINPWOIQEJR-OAHLLOKOSA-N 2 1 337.468 0.281 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267731092 838418720 /nfs/dbraw/zinc/41/87/20/838418720.db2.gz NJDSGBSDEJCYKJ-ZBFHGGJFSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267731092 838418723 /nfs/dbraw/zinc/41/87/23/838418723.db2.gz NJDSGBSDEJCYKJ-ZBFHGGJFSA-N 2 1 336.480 0.600 20 30 ECEDMP C#CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767717 838505397 /nfs/dbraw/zinc/50/53/97/838505397.db2.gz QWJYHRGAOZKGRK-HOCLYGCPSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267767717 838505402 /nfs/dbraw/zinc/50/54/02/838505402.db2.gz QWJYHRGAOZKGRK-HOCLYGCPSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267767717 838505405 /nfs/dbraw/zinc/50/54/05/838505405.db2.gz QWJYHRGAOZKGRK-HOCLYGCPSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767717 838505409 /nfs/dbraw/zinc/50/54/09/838505409.db2.gz QWJYHRGAOZKGRK-HOCLYGCPSA-N 2 1 334.464 0.141 20 30 ECEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267971025 838893238 /nfs/dbraw/zinc/89/32/38/838893238.db2.gz YCYSFBVPIHXWQB-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267971025 838893249 /nfs/dbraw/zinc/89/32/49/838893249.db2.gz YCYSFBVPIHXWQB-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000174721753 529887454 /nfs/dbraw/zinc/88/74/54/529887454.db2.gz REIGPPDSLSZEBP-GOSISDBHSA-N 2 1 346.475 0.867 20 30 ECEDMP C[NH+]=C(NCCc1nccs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179076942 254507358 /nfs/dbraw/zinc/50/73/58/254507358.db2.gz ICNOPGKIIZHCCN-AWEZNQCLSA-N 2 1 337.493 0.915 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(S(N)(=O)=O)c1 ZINC000264075579 254513351 /nfs/dbraw/zinc/51/33/51/254513351.db2.gz FONYXQOWOLFVAH-ZDUSSCGKSA-N 2 1 339.465 0.223 20 30 ECEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073177624 436071143 /nfs/dbraw/zinc/07/11/43/436071143.db2.gz ZWZWYRJCMYTTLX-UHFFFAOYSA-N 2 1 333.436 0.707 20 30 ECEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073177624 436071147 /nfs/dbraw/zinc/07/11/47/436071147.db2.gz ZWZWYRJCMYTTLX-UHFFFAOYSA-N 2 1 333.436 0.707 20 30 ECEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261837194 436889490 /nfs/dbraw/zinc/88/94/90/436889490.db2.gz WEUGLRHARHURDP-MRXNPFEDSA-N 2 1 345.451 0.964 20 30 ECEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261837193 436889659 /nfs/dbraw/zinc/88/96/59/436889659.db2.gz WEUGLRHARHURDP-INIZCTEOSA-N 2 1 345.451 0.964 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)s1 ZINC000264060948 437014964 /nfs/dbraw/zinc/01/49/64/437014964.db2.gz CUWPGURJLBYZBF-SNVBAGLBSA-N 2 1 345.494 0.284 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000287228610 437171812 /nfs/dbraw/zinc/17/18/12/437171812.db2.gz NWPSGFVDOJQKPB-CYBMUJFWSA-N 2 1 339.465 0.223 20 30 ECEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)C1 ZINC000267411959 437326521 /nfs/dbraw/zinc/32/65/21/437326521.db2.gz IMLHBUKQOBQKAL-OAHLLOKOSA-N 2 1 329.448 0.951 20 30 ECEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000267393886 437328424 /nfs/dbraw/zinc/32/84/24/437328424.db2.gz DPQMVXKVCHYAKS-UHFFFAOYSA-N 2 1 342.451 0.899 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000343759715 437650017 /nfs/dbraw/zinc/65/00/17/437650017.db2.gz DHUVGFQLABSFGK-GOEBONIOSA-N 2 1 334.464 0.306 20 30 ECEDMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424150681 437895015 /nfs/dbraw/zinc/89/50/15/437895015.db2.gz ZFDYJRVBSANEAS-HOTGVXAUSA-N 2 1 344.463 0.729 20 30 ECEDMP C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378426552 438385730 /nfs/dbraw/zinc/38/57/30/438385730.db2.gz HYGBMWVAHHRDDK-HNNXBMFYSA-N 2 1 337.468 0.099 20 30 ECEDMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)CC2)cs1 ZINC000844195165 589102259 /nfs/dbraw/zinc/10/22/59/589102259.db2.gz QVZKHLREBHTGCI-DZGCQCFKSA-N 2 1 333.461 0.891 20 30 ECEDMP COc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1C#N ZINC000849084392 589319632 /nfs/dbraw/zinc/31/96/32/589319632.db2.gz OLSQJKNVHDOAJM-UHFFFAOYSA-N 2 1 331.420 0.903 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550487 590022827 /nfs/dbraw/zinc/02/28/27/590022827.db2.gz XQBNJQSRLMHHTD-CVEARBPZSA-N 2 1 348.447 0.444 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875182563 590279190 /nfs/dbraw/zinc/27/91/90/590279190.db2.gz ROURVEWQNPTGGU-UHFFFAOYSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000888683280 590344909 /nfs/dbraw/zinc/34/49/09/590344909.db2.gz CPEXAZPHQFAXTJ-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000888683280 590344912 /nfs/dbraw/zinc/34/49/12/590344912.db2.gz CPEXAZPHQFAXTJ-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884319214 590804087 /nfs/dbraw/zinc/80/40/87/590804087.db2.gz QBKNSTQQXLDLIS-WUJZJPHMSA-N 2 1 348.491 0.943 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC000886799317 590883789 /nfs/dbraw/zinc/88/37/89/590883789.db2.gz PNVYGVNPIFFDDK-CQSZACIVSA-N 2 1 333.354 0.011 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(N2CCCC2)c1 ZINC000104160109 591052593 /nfs/dbraw/zinc/05/25/93/591052593.db2.gz USUPWJITJSSRAJ-UHFFFAOYSA-N 2 1 346.479 0.808 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000104168039 591052747 /nfs/dbraw/zinc/05/27/47/591052747.db2.gz OCLGWAYMKOHLQI-CVEARBPZSA-N 2 1 325.501 0.604 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367998 591153864 /nfs/dbraw/zinc/15/38/64/591153864.db2.gz ZSZXHCLZIQHWML-JKSUJKDBSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367998 591153865 /nfs/dbraw/zinc/15/38/65/591153865.db2.gz ZSZXHCLZIQHWML-JKSUJKDBSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367998 591153869 /nfs/dbraw/zinc/15/38/69/591153869.db2.gz ZSZXHCLZIQHWML-JKSUJKDBSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367998 591153874 /nfs/dbraw/zinc/15/38/74/591153874.db2.gz ZSZXHCLZIQHWML-JKSUJKDBSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949247962 608597385 /nfs/dbraw/zinc/59/73/85/608597385.db2.gz IFDFYNKVJOWMMM-QGZVFWFLSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949247962 608597389 /nfs/dbraw/zinc/59/73/89/608597389.db2.gz IFDFYNKVJOWMMM-QGZVFWFLSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949247961 608597659 /nfs/dbraw/zinc/59/76/59/608597659.db2.gz IFDFYNKVJOWMMM-KRWDZBQOSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949247961 608597660 /nfs/dbraw/zinc/59/76/60/608597660.db2.gz IFDFYNKVJOWMMM-KRWDZBQOSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000924038241 608611862 /nfs/dbraw/zinc/61/18/62/608611862.db2.gz YXPLXSNXVNFTAT-WBVHZDCISA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038241 608611863 /nfs/dbraw/zinc/61/18/63/608611863.db2.gz YXPLXSNXVNFTAT-WBVHZDCISA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038241 608611865 /nfs/dbraw/zinc/61/18/65/608611865.db2.gz YXPLXSNXVNFTAT-WBVHZDCISA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038241 608611866 /nfs/dbraw/zinc/61/18/66/608611866.db2.gz YXPLXSNXVNFTAT-WBVHZDCISA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC000937501598 608833528 /nfs/dbraw/zinc/83/35/28/608833528.db2.gz QGYMNDBVPSKRSP-QAETUUGQSA-N 2 1 346.475 0.236 20 30 ECEDMP CC(C)[N@H+]1CC[C@H](C(=O)NCC#CC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000913523718 609684316 /nfs/dbraw/zinc/68/43/16/609684316.db2.gz JRMRICWJSJMGPB-ZWKOTPCHSA-N 2 1 345.491 0.915 20 30 ECEDMP C#CCN(C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000910885789 609773349 /nfs/dbraw/zinc/77/33/49/609773349.db2.gz NKINCDPYSGAQFY-GASCZTMLSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CCN(C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000910885789 609773352 /nfs/dbraw/zinc/77/33/52/609773352.db2.gz NKINCDPYSGAQFY-GASCZTMLSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910886030 609773824 /nfs/dbraw/zinc/77/38/24/609773824.db2.gz JEIBBLAXOSRWGB-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cn(C)nn3)[C@@H](C)C2)CC1 ZINC000939809755 610136548 /nfs/dbraw/zinc/13/65/48/610136548.db2.gz JFFLNWTUYLXKSH-YOEHRIQHSA-N 2 1 344.463 0.097 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941676875 610449380 /nfs/dbraw/zinc/44/93/80/610449380.db2.gz GFYKWKRRYHSBPH-IAGOWNOFSA-N 2 1 332.492 0.711 20 30 ECEDMP C=CCN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408511 610722421 /nfs/dbraw/zinc/72/24/21/610722421.db2.gz JJDAIXPFVIIIFG-SJORKVTESA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408511 610722422 /nfs/dbraw/zinc/72/24/22/610722422.db2.gz JJDAIXPFVIIIFG-SJORKVTESA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408511 610722423 /nfs/dbraw/zinc/72/24/23/610722423.db2.gz JJDAIXPFVIIIFG-SJORKVTESA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370144 611954678 /nfs/dbraw/zinc/95/46/78/611954678.db2.gz LHXSSIARBPWJPK-DLBZAZTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370144 611954679 /nfs/dbraw/zinc/95/46/79/611954679.db2.gz LHXSSIARBPWJPK-DLBZAZTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370144 611954680 /nfs/dbraw/zinc/95/46/80/611954680.db2.gz LHXSSIARBPWJPK-DLBZAZTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370144 611954682 /nfs/dbraw/zinc/95/46/82/611954682.db2.gz LHXSSIARBPWJPK-DLBZAZTESA-N 2 1 349.475 0.729 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000954500114 612335227 /nfs/dbraw/zinc/33/52/27/612335227.db2.gz HWVVRSOCHKSXTL-QGZVFWFLSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000954630350 612467156 /nfs/dbraw/zinc/46/71/56/612467156.db2.gz COZUHRGBDXVZTM-KRWDZBQOSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000954630350 612467160 /nfs/dbraw/zinc/46/71/60/612467160.db2.gz COZUHRGBDXVZTM-KRWDZBQOSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000954630350 612467164 /nfs/dbraw/zinc/46/71/64/612467164.db2.gz COZUHRGBDXVZTM-KRWDZBQOSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000954630350 612467167 /nfs/dbraw/zinc/46/71/67/612467167.db2.gz COZUHRGBDXVZTM-KRWDZBQOSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167237190 733083424 /nfs/dbraw/zinc/08/34/24/733083424.db2.gz WUCLGUMSVXITLX-UHFFFAOYSA-N 2 1 348.491 0.344 20 30 ECEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534944 733110890 /nfs/dbraw/zinc/11/08/90/733110890.db2.gz OUZYCWZETJBCDF-UHFFFAOYSA-N 2 1 349.475 0.017 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(=O)N3CCC3)C2)CC1 ZINC000970926781 734096422 /nfs/dbraw/zinc/09/64/22/734096422.db2.gz XFFBVNWAYKPDAO-HNNXBMFYSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC000971703712 734965053 /nfs/dbraw/zinc/96/50/53/734965053.db2.gz MBGSIHDICTYCPY-IRXDYDNUSA-N 2 1 329.448 0.550 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccn(C)n2)C1 ZINC000971703712 734965055 /nfs/dbraw/zinc/96/50/55/734965055.db2.gz MBGSIHDICTYCPY-IRXDYDNUSA-N 2 1 329.448 0.550 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565121 736266167 /nfs/dbraw/zinc/26/61/67/736266167.db2.gz MOWUQTOPXYSZMX-IPMKNSEASA-N 2 1 341.455 0.925 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565121 736266171 /nfs/dbraw/zinc/26/61/71/736266171.db2.gz MOWUQTOPXYSZMX-IPMKNSEASA-N 2 1 341.455 0.925 20 30 ECEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520762 736550193 /nfs/dbraw/zinc/55/01/93/736550193.db2.gz SXAQLSJPSPKEHV-MJGOQNOKSA-N 2 1 349.475 0.422 20 30 ECEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520762 736550194 /nfs/dbraw/zinc/55/01/94/736550194.db2.gz SXAQLSJPSPKEHV-MJGOQNOKSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001023759293 737320087 /nfs/dbraw/zinc/32/00/87/737320087.db2.gz FCNVHDLJCFPDGY-HZPDHXFCSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC)CC1 ZINC001024812341 738317165 /nfs/dbraw/zinc/31/71/65/738317165.db2.gz NMOZVUTXKLJCJQ-MRXNPFEDSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC)CC1 ZINC001024812341 738317168 /nfs/dbraw/zinc/31/71/68/738317168.db2.gz NMOZVUTXKLJCJQ-MRXNPFEDSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001025630004 739795065 /nfs/dbraw/zinc/79/50/65/739795065.db2.gz NZDIYZXYKXGXJL-GOEBONIOSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CCN(CC#C)CC2)C1 ZINC001098604771 740171228 /nfs/dbraw/zinc/17/12/28/740171228.db2.gz ACVFSBPLHLBAFQ-ROUUACIJSA-N 2 1 343.471 0.799 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240433 741531739 /nfs/dbraw/zinc/53/17/39/741531739.db2.gz NERJNZNQQBKBSS-KRWDZBQOSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001029003031 743155770 /nfs/dbraw/zinc/15/57/70/743155770.db2.gz GZBOHYGSMKCONF-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262012205 743427105 /nfs/dbraw/zinc/42/71/05/743427105.db2.gz WVEBHYRCTMDRQO-TZMCWYRMSA-N 2 1 331.468 0.762 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000998179695 744033168 /nfs/dbraw/zinc/03/31/68/744033168.db2.gz ZONGSSOFGWGAED-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000998179695 744033174 /nfs/dbraw/zinc/03/31/74/744033174.db2.gz ZONGSSOFGWGAED-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000998179695 744033177 /nfs/dbraw/zinc/03/31/77/744033177.db2.gz ZONGSSOFGWGAED-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000998179695 744033182 /nfs/dbraw/zinc/03/31/82/744033182.db2.gz ZONGSSOFGWGAED-ZOBUZTSGSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001027446293 744484272 /nfs/dbraw/zinc/48/42/72/744484272.db2.gz FHXSEZNMEACCRC-IRXDYDNUSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027446293 744484273 /nfs/dbraw/zinc/48/42/73/744484273.db2.gz FHXSEZNMEACCRC-IRXDYDNUSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCn2cncn2)C1 ZINC001027446293 744484277 /nfs/dbraw/zinc/48/42/77/744484277.db2.gz FHXSEZNMEACCRC-IRXDYDNUSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCn2cncn2)C1 ZINC001027446293 744484280 /nfs/dbraw/zinc/48/42/80/744484280.db2.gz FHXSEZNMEACCRC-IRXDYDNUSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001027446502 744486229 /nfs/dbraw/zinc/48/62/29/744486229.db2.gz LSTFUDDWYQFHTR-ROUUACIJSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027446502 744486232 /nfs/dbraw/zinc/48/62/32/744486232.db2.gz LSTFUDDWYQFHTR-ROUUACIJSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCn2cccn2)C1 ZINC001027446502 744486236 /nfs/dbraw/zinc/48/62/36/744486236.db2.gz LSTFUDDWYQFHTR-ROUUACIJSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCn2cccn2)C1 ZINC001027446502 744486238 /nfs/dbraw/zinc/48/62/38/744486238.db2.gz LSTFUDDWYQFHTR-ROUUACIJSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nncn2C)C1 ZINC000983901051 745477458 /nfs/dbraw/zinc/47/74/58/745477458.db2.gz KGXPPDPWOQDFOC-FPCVCCKLSA-N 2 1 344.463 0.458 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nncn2C)C1 ZINC000983901051 745477461 /nfs/dbraw/zinc/47/74/61/745477461.db2.gz KGXPPDPWOQDFOC-FPCVCCKLSA-N 2 1 344.463 0.458 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520481 745563019 /nfs/dbraw/zinc/56/30/19/745563019.db2.gz FKZGEMBYEODQHV-DLBZAZTESA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520481 745563020 /nfs/dbraw/zinc/56/30/20/745563020.db2.gz FKZGEMBYEODQHV-DLBZAZTESA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520481 745563021 /nfs/dbraw/zinc/56/30/21/745563021.db2.gz FKZGEMBYEODQHV-DLBZAZTESA-N 2 1 346.475 0.616 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978163983 745977076 /nfs/dbraw/zinc/97/70/76/745977076.db2.gz BXFASVNRRYOCIG-QQXKLLMISA-N 2 1 345.487 0.661 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665362 746168668 /nfs/dbraw/zinc/16/86/68/746168668.db2.gz LKPLIRMGNDAYRR-RWBIUQBRSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665362 746168672 /nfs/dbraw/zinc/16/86/72/746168672.db2.gz LKPLIRMGNDAYRR-RWBIUQBRSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665362 746168676 /nfs/dbraw/zinc/16/86/76/746168676.db2.gz LKPLIRMGNDAYRR-RWBIUQBRSA-N 2 1 331.460 0.842 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098716424 747236504 /nfs/dbraw/zinc/23/65/04/747236504.db2.gz XXAMKTZVWYUQPR-HZPDHXFCSA-N 2 1 334.468 0.913 20 30 ECEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446858 747961824 /nfs/dbraw/zinc/96/18/24/747961824.db2.gz WFTDIXXFMFLDQH-HZPDHXFCSA-N 2 1 341.496 0.982 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446858 747961826 /nfs/dbraw/zinc/96/18/26/747961826.db2.gz WFTDIXXFMFLDQH-HZPDHXFCSA-N 2 1 341.496 0.982 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446858 747961828 /nfs/dbraw/zinc/96/18/28/747961828.db2.gz WFTDIXXFMFLDQH-HZPDHXFCSA-N 2 1 341.496 0.982 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255156 749261188 /nfs/dbraw/zinc/26/11/88/749261188.db2.gz PBGGYSAIBNPSFJ-GBESFXJTSA-N 2 1 347.503 0.931 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC000981437615 750698695 /nfs/dbraw/zinc/69/86/95/750698695.db2.gz BWLCQJDGHISOSR-HZPDHXFCSA-N 2 1 336.480 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC000981437615 750698700 /nfs/dbraw/zinc/69/87/00/750698700.db2.gz BWLCQJDGHISOSR-HZPDHXFCSA-N 2 1 336.480 0.648 20 30 ECEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](OC)C1 ZINC001212070916 752470463 /nfs/dbraw/zinc/47/04/63/752470463.db2.gz CPHVSCDUOJTYKV-BRWVUGGUSA-N 2 1 339.480 0.879 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051493088 762199798 /nfs/dbraw/zinc/19/97/98/762199798.db2.gz HIUUIAQUSJOQIW-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376708 754045927 /nfs/dbraw/zinc/04/59/27/754045927.db2.gz CXGUCTYATORKEZ-KBPBESRZSA-N 2 1 332.452 0.810 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@@H](CC)C(N)=O)CC2)CC1 ZINC000989734949 754366739 /nfs/dbraw/zinc/36/67/39/754366739.db2.gz LOHSCZDGOMVKGZ-INIZCTEOSA-N 2 1 334.464 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)CC1 ZINC000989734949 754366744 /nfs/dbraw/zinc/36/67/44/754366744.db2.gz LOHSCZDGOMVKGZ-INIZCTEOSA-N 2 1 334.464 0.130 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001083535683 755974997 /nfs/dbraw/zinc/97/49/97/755974997.db2.gz FWUSJFRTEICHBR-SQNIBIBYSA-N 2 1 327.428 0.446 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC001083535683 755975000 /nfs/dbraw/zinc/97/50/00/755975000.db2.gz FWUSJFRTEICHBR-SQNIBIBYSA-N 2 1 327.428 0.446 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436671 756135090 /nfs/dbraw/zinc/13/50/90/756135090.db2.gz RFJYUWKHCHEHIZ-IAGOWNOFSA-N 2 1 328.416 0.579 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436671 756135093 /nfs/dbraw/zinc/13/50/93/756135093.db2.gz RFJYUWKHCHEHIZ-IAGOWNOFSA-N 2 1 328.416 0.579 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107146087 757037419 /nfs/dbraw/zinc/03/74/19/757037419.db2.gz VCWWNNYVHJSTSI-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](C)OC)C[C@@H]3C2)CC1 ZINC001049234402 758401570 /nfs/dbraw/zinc/40/15/70/758401570.db2.gz DSUWGHLPSZUBAH-RYQLBKOJSA-N 2 1 333.476 0.757 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001022220880 758441545 /nfs/dbraw/zinc/44/15/45/758441545.db2.gz SIRQOWGSZXKCCO-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001022220880 758441549 /nfs/dbraw/zinc/44/15/49/758441549.db2.gz SIRQOWGSZXKCCO-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779696 758626856 /nfs/dbraw/zinc/62/68/56/758626856.db2.gz QJDVXDUHRWJGHQ-DLBZAZTESA-N 2 1 328.416 0.627 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001051931894 763370524 /nfs/dbraw/zinc/37/05/24/763370524.db2.gz IFHRCCZWBXYEMX-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001051932872 763377122 /nfs/dbraw/zinc/37/71/22/763377122.db2.gz XATMTGSFQWKYCZ-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026248 763618414 /nfs/dbraw/zinc/61/84/14/763618414.db2.gz COWCPWHBFAIJLI-QZTJIDSGSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001052040478 763662338 /nfs/dbraw/zinc/66/23/38/763662338.db2.gz AWOAQPIYOPNUAV-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040478 763662343 /nfs/dbraw/zinc/66/23/43/763662343.db2.gz AWOAQPIYOPNUAV-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052047224 763690225 /nfs/dbraw/zinc/69/02/25/763690225.db2.gz JNDDFZWLRKXPJY-GOSISDBHSA-N 2 1 344.503 0.857 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107935 763888376 /nfs/dbraw/zinc/88/83/76/763888376.db2.gz IAOFESISDZHWLF-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473756 764445127 /nfs/dbraw/zinc/44/51/27/764445127.db2.gz XHBDFKTUEHGLPC-OALUTQOASA-N 2 1 343.471 0.931 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001052457803 764542446 /nfs/dbraw/zinc/54/24/46/764542446.db2.gz VWMIIYIXGFTZMA-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001052457803 764542456 /nfs/dbraw/zinc/54/24/56/764542456.db2.gz VWMIIYIXGFTZMA-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001052457803 764542460 /nfs/dbraw/zinc/54/24/60/764542460.db2.gz VWMIIYIXGFTZMA-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001052457803 764542467 /nfs/dbraw/zinc/54/24/67/764542467.db2.gz VWMIIYIXGFTZMA-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338024 766145790 /nfs/dbraw/zinc/14/57/90/766145790.db2.gz VEBRWLIAVSTWIO-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338024 766145796 /nfs/dbraw/zinc/14/57/96/766145796.db2.gz VEBRWLIAVSTWIO-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)C2)CC1 ZINC001016338056 766146016 /nfs/dbraw/zinc/14/60/16/766146016.db2.gz VWWSWBPFVBMHLF-KRWDZBQOSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CCCO)C3)O2)CC1 ZINC001053699118 766615895 /nfs/dbraw/zinc/61/58/95/766615895.db2.gz AYPVADIVGIGUOO-QGZVFWFLSA-N 2 1 349.475 0.064 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001046041465 766752436 /nfs/dbraw/zinc/75/24/36/766752436.db2.gz JZROXSULVGMCNZ-KRWDZBQOSA-N 2 1 337.427 0.800 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046087407 766930071 /nfs/dbraw/zinc/93/00/71/766930071.db2.gz WQQTZAGANSCCFO-SFHVURJKSA-N 2 1 332.492 0.714 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087647 766930117 /nfs/dbraw/zinc/93/01/17/766930117.db2.gz YSUXPQLFJZUSOJ-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087647 766930119 /nfs/dbraw/zinc/93/01/19/766930119.db2.gz YSUXPQLFJZUSOJ-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087647 766930120 /nfs/dbraw/zinc/93/01/20/766930120.db2.gz YSUXPQLFJZUSOJ-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087647 766930122 /nfs/dbraw/zinc/93/01/22/766930122.db2.gz YSUXPQLFJZUSOJ-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(CC)c2)C1 ZINC001031740662 766985782 /nfs/dbraw/zinc/98/57/82/766985782.db2.gz HWEPKXVCIURSPS-SFHVURJKSA-N 2 1 343.475 0.591 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(CC)c2)C1 ZINC001031740662 766985787 /nfs/dbraw/zinc/98/57/87/766985787.db2.gz HWEPKXVCIURSPS-SFHVURJKSA-N 2 1 343.475 0.591 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875567 767111284 /nfs/dbraw/zinc/11/12/84/767111284.db2.gz GECKDKIOQHFSEE-GARNVTTQSA-N 2 1 347.459 0.385 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875567 767111290 /nfs/dbraw/zinc/11/12/90/767111290.db2.gz GECKDKIOQHFSEE-GARNVTTQSA-N 2 1 347.459 0.385 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151422 767381939 /nfs/dbraw/zinc/38/19/39/767381939.db2.gz RPZWVHDHBZUHFE-WCXIOVBPSA-N 2 1 348.491 0.150 20 30 ECEDMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1)[NH+](C)C ZINC001055594715 769209102 /nfs/dbraw/zinc/20/91/02/769209102.db2.gz KXNIHZCXBMKDDU-UKRRQHHQSA-N 2 1 337.468 0.183 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nc(CC)no2)C1 ZINC001018985427 770482329 /nfs/dbraw/zinc/48/23/29/770482329.db2.gz RWTXPFCECMHZTP-KKUMJFAQSA-N 2 1 345.447 0.981 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nc(CC)no2)C1 ZINC001018985427 770482332 /nfs/dbraw/zinc/48/23/32/770482332.db2.gz RWTXPFCECMHZTP-KKUMJFAQSA-N 2 1 345.447 0.981 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccnc2OC)C1 ZINC001018985999 770484080 /nfs/dbraw/zinc/48/40/80/770484080.db2.gz PPQXLOJIFSYNMP-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccnc2OC)C1 ZINC001018985999 770484081 /nfs/dbraw/zinc/48/40/81/770484081.db2.gz PPQXLOJIFSYNMP-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001020045923 772107041 /nfs/dbraw/zinc/10/70/41/772107041.db2.gz PNHRFCYPHBEYRP-BFYDXBDKSA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001020045923 772107044 /nfs/dbraw/zinc/10/70/44/772107044.db2.gz PNHRFCYPHBEYRP-BFYDXBDKSA-N 2 1 346.406 0.765 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001045073363 774935762 /nfs/dbraw/zinc/93/57/62/774935762.db2.gz DEMHMEFEHYNXDW-IRXDYDNUSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001045073363 774935779 /nfs/dbraw/zinc/93/57/79/774935779.db2.gz DEMHMEFEHYNXDW-IRXDYDNUSA-N 2 1 329.448 0.598 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070273927 783777986 /nfs/dbraw/zinc/77/79/86/783777986.db2.gz KWFJCLMDEWUYBX-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070400164 783967814 /nfs/dbraw/zinc/96/78/14/783967814.db2.gz SJYBQZVXVSNVIB-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400164 783967823 /nfs/dbraw/zinc/96/78/23/783967823.db2.gz SJYBQZVXVSNVIB-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400164 783967829 /nfs/dbraw/zinc/96/78/29/783967829.db2.gz SJYBQZVXVSNVIB-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403228 783977403 /nfs/dbraw/zinc/97/74/03/783977403.db2.gz NXCOWRWEICJBGS-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403228 783977411 /nfs/dbraw/zinc/97/74/11/783977411.db2.gz NXCOWRWEICJBGS-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403228 783977417 /nfs/dbraw/zinc/97/74/17/783977417.db2.gz NXCOWRWEICJBGS-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403228 783977426 /nfs/dbraw/zinc/97/74/26/783977426.db2.gz NXCOWRWEICJBGS-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218352 784762247 /nfs/dbraw/zinc/76/22/47/784762247.db2.gz MKKDOARBXVFHOX-PKOBYXMFSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218352 784762248 /nfs/dbraw/zinc/76/22/48/784762248.db2.gz MKKDOARBXVFHOX-PKOBYXMFSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001075166947 789010630 /nfs/dbraw/zinc/01/06/30/789010630.db2.gz KFUUDEJEMKAPPZ-PASDCYSWSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001075166947 789010640 /nfs/dbraw/zinc/01/06/40/789010640.db2.gz KFUUDEJEMKAPPZ-PASDCYSWSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073121740 789477192 /nfs/dbraw/zinc/47/71/92/789477192.db2.gz JQEQDDTWFKTBIY-INIZCTEOSA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073121740 789477195 /nfs/dbraw/zinc/47/71/95/789477195.db2.gz JQEQDDTWFKTBIY-INIZCTEOSA-N 2 1 348.491 0.533 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932142 790205288 /nfs/dbraw/zinc/20/52/88/790205288.db2.gz SDJAKLUYFXWYHQ-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932142 790205292 /nfs/dbraw/zinc/20/52/92/790205292.db2.gz SDJAKLUYFXWYHQ-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069932142 790205295 /nfs/dbraw/zinc/20/52/95/790205295.db2.gz SDJAKLUYFXWYHQ-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968441 790255715 /nfs/dbraw/zinc/25/57/15/790255715.db2.gz ZNNYOHPMWCJJOS-CVEARBPZSA-N 2 1 344.463 0.824 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968441 790255721 /nfs/dbraw/zinc/25/57/21/790255721.db2.gz ZNNYOHPMWCJJOS-CVEARBPZSA-N 2 1 344.463 0.824 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cncc2C)C1 ZINC001267562238 837775447 /nfs/dbraw/zinc/77/54/47/837775447.db2.gz YVYFUSZYZKKFJA-HZPDHXFCSA-N 2 1 347.463 0.710 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267562238 837775462 /nfs/dbraw/zinc/77/54/62/837775462.db2.gz YVYFUSZYZKKFJA-HZPDHXFCSA-N 2 1 347.463 0.710 20 30 ECEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001267573293 837815774 /nfs/dbraw/zinc/81/57/74/837815774.db2.gz NUFDLXPEFZMYHI-UHFFFAOYSA-N 2 1 346.519 0.962 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520991 835935399 /nfs/dbraw/zinc/93/53/99/835935399.db2.gz XUXOGHOZEQTPFU-CVEARBPZSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266604286 836037557 /nfs/dbraw/zinc/03/75/57/836037557.db2.gz YODAVKDXRYHFLQ-SHTZXODSSA-N 2 1 348.491 0.626 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001266728946 836207604 /nfs/dbraw/zinc/20/76/04/836207604.db2.gz QPUWEYONJNVZGG-OALUTQOASA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001266728946 836207613 /nfs/dbraw/zinc/20/76/13/836207613.db2.gz QPUWEYONJNVZGG-OALUTQOASA-N 2 1 343.471 0.736 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767419 836274194 /nfs/dbraw/zinc/27/41/94/836274194.db2.gz NAJBUIGBWSVLPH-HZPDHXFCSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767419 836274203 /nfs/dbraw/zinc/27/42/03/836274203.db2.gz NAJBUIGBWSVLPH-HZPDHXFCSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767419 836274212 /nfs/dbraw/zinc/27/42/12/836274212.db2.gz NAJBUIGBWSVLPH-HZPDHXFCSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266790475 836308154 /nfs/dbraw/zinc/30/81/54/836308154.db2.gz HZJQBXCZPWQJSR-DLBZAZTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC=C)C1 ZINC001266792954 836309888 /nfs/dbraw/zinc/30/98/88/836309888.db2.gz GFRNBHJBVGJBRO-IRXDYDNUSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC=C)C1 ZINC001266792954 836309899 /nfs/dbraw/zinc/30/98/99/836309899.db2.gz GFRNBHJBVGJBRO-IRXDYDNUSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001267200181 836971121 /nfs/dbraw/zinc/97/11/21/836971121.db2.gz GSMVUIBYBXXOKT-OALUTQOASA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001267200181 836971137 /nfs/dbraw/zinc/97/11/37/836971137.db2.gz GSMVUIBYBXXOKT-OALUTQOASA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](O)Cc1ccccc1 ZINC001267200181 836971147 /nfs/dbraw/zinc/97/11/47/836971147.db2.gz GSMVUIBYBXXOKT-OALUTQOASA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](O)Cc1ccccc1 ZINC001267200181 836971155 /nfs/dbraw/zinc/97/11/55/836971155.db2.gz GSMVUIBYBXXOKT-OALUTQOASA-N 2 1 343.471 0.736 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274066 837116743 /nfs/dbraw/zinc/11/67/43/837116743.db2.gz KJSKINQOKKVWGY-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274066 837116749 /nfs/dbraw/zinc/11/67/49/837116749.db2.gz KJSKINQOKKVWGY-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302704 837167621 /nfs/dbraw/zinc/16/76/21/837167621.db2.gz GYCDQUXHYITZPU-IRXDYDNUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302704 837167625 /nfs/dbraw/zinc/16/76/25/837167625.db2.gz GYCDQUXHYITZPU-IRXDYDNUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302704 837167630 /nfs/dbraw/zinc/16/76/30/837167630.db2.gz GYCDQUXHYITZPU-IRXDYDNUSA-N 2 1 348.491 0.437 20 30 ECEDMP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267592738 837886233 /nfs/dbraw/zinc/88/62/33/837886233.db2.gz XLJFSOZGGJUFKX-QGZVFWFLSA-N 2 1 337.464 0.139 20 30 ECEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267592738 837886241 /nfs/dbraw/zinc/88/62/41/837886241.db2.gz XLJFSOZGGJUFKX-QGZVFWFLSA-N 2 1 337.464 0.139 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267745670 838451938 /nfs/dbraw/zinc/45/19/38/838451938.db2.gz ASXPPRGEDFSCCH-OAHLLOKOSA-N 2 1 338.496 0.799 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267955124 838857987 /nfs/dbraw/zinc/85/79/87/838857987.db2.gz JPHBZOCDCGZABI-HUUCEWRRSA-N 2 1 335.452 0.080 20 30 ECEDMP COCCNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066245648 436681348 /nfs/dbraw/zinc/68/13/48/436681348.db2.gz ZRILZXRZYQCZDU-UHFFFAOYSA-N 2 1 343.472 0.480 20 30 ECEDMP Cn1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(C(F)(F)F)n1 ZINC000160804645 436879678 /nfs/dbraw/zinc/87/96/78/436879678.db2.gz LAEZEMSRUKZRDH-UHFFFAOYSA-N 2 1 348.373 0.566 20 30 ECEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261665058 436881536 /nfs/dbraw/zinc/88/15/36/436881536.db2.gz GGVSRLXKSBUVKE-CYBMUJFWSA-N 2 1 349.435 0.108 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000293529809 436884199 /nfs/dbraw/zinc/88/41/99/436884199.db2.gz ZVVUHZAVWGVZJV-UHFFFAOYSA-N 2 1 344.459 0.801 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[C@H]1c2ccccc2NC1=O ZINC000170907332 436961232 /nfs/dbraw/zinc/96/12/32/436961232.db2.gz FWUWUVSKSSOERG-HNNXBMFYSA-N 2 1 345.447 0.739 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc2c(c1)OCCCO2 ZINC000264132759 437016707 /nfs/dbraw/zinc/01/67/07/437016707.db2.gz YMAHFTNAKNFARE-UHFFFAOYSA-N 2 1 348.447 0.975 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000171709414 436986658 /nfs/dbraw/zinc/98/66/58/436986658.db2.gz UNAWWZSKIFMDSO-UHFFFAOYSA-N 2 1 337.512 0.962 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000303873692 437156782 /nfs/dbraw/zinc/15/67/82/437156782.db2.gz CROSCYZSBXGWSB-ZDUSSCGKSA-N 2 1 325.457 0.853 20 30 ECEDMP CCNC(=O)CN1CCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000328820128 437266463 /nfs/dbraw/zinc/26/64/63/437266463.db2.gz PXFOKLCUWRBDPI-AWEZNQCLSA-N 2 1 342.509 0.934 20 30 ECEDMP CCNC(=O)CN1CCCN(C(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000328820128 437266467 /nfs/dbraw/zinc/26/64/67/437266467.db2.gz PXFOKLCUWRBDPI-AWEZNQCLSA-N 2 1 342.509 0.934 20 30 ECEDMP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCN1C1CC[NH+](C)CC1 ZINC000330828949 437626974 /nfs/dbraw/zinc/62/69/74/437626974.db2.gz IHWVBGZJBIVBAI-MRXNPFEDSA-N 2 1 335.496 0.849 20 30 ECEDMP CC(=O)N1CCCN(CC#CC[N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000372980149 438121812 /nfs/dbraw/zinc/12/18/12/438121812.db2.gz NFICHQVVJXGFDN-UHFFFAOYSA-N 2 1 334.464 0.098 20 30 ECEDMP CC(=O)N1CCCN(CC#CC[N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000372980149 438121818 /nfs/dbraw/zinc/12/18/18/438121818.db2.gz NFICHQVVJXGFDN-UHFFFAOYSA-N 2 1 334.464 0.098 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC1CCN(CC#N)CC1 ZINC000596275216 438948779 /nfs/dbraw/zinc/94/87/79/438948779.db2.gz LVYYGQLIDGJXQS-HNNXBMFYSA-N 2 1 338.500 0.546 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844387 439141505 /nfs/dbraw/zinc/14/15/05/439141505.db2.gz CUGOWIQCNSPOCT-CQSZACIVSA-N 2 1 331.420 0.994 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844387 439141508 /nfs/dbraw/zinc/14/15/08/439141508.db2.gz CUGOWIQCNSPOCT-CQSZACIVSA-N 2 1 331.420 0.994 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000491793139 439450713 /nfs/dbraw/zinc/45/07/13/439450713.db2.gz JIRZZJNAMROFAZ-MRXNPFEDSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000491793139 439450720 /nfs/dbraw/zinc/45/07/20/439450720.db2.gz JIRZZJNAMROFAZ-MRXNPFEDSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000491793139 439450726 /nfs/dbraw/zinc/45/07/26/439450726.db2.gz JIRZZJNAMROFAZ-MRXNPFEDSA-N 2 1 336.480 0.836 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C#N)CCOC3)CC2)CC1 ZINC000572615424 439596963 /nfs/dbraw/zinc/59/69/63/439596963.db2.gz ZXYVNTZXHQAOLD-GOSISDBHSA-N 2 1 334.464 0.982 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001041734310 782079871 /nfs/dbraw/zinc/07/98/71/782079871.db2.gz TVGWIBNBBBNJFW-SFHVURJKSA-N 2 1 329.448 0.616 20 30 ECEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006324 782119750 /nfs/dbraw/zinc/11/97/50/782119750.db2.gz ZMXKHBNNRUZAIV-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006324 782119755 /nfs/dbraw/zinc/11/97/55/782119755.db2.gz ZMXKHBNNRUZAIV-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006324 782119758 /nfs/dbraw/zinc/11/97/58/782119758.db2.gz ZMXKHBNNRUZAIV-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006324 782119764 /nfs/dbraw/zinc/11/97/64/782119764.db2.gz ZMXKHBNNRUZAIV-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2F)CC1 ZINC000834488176 588902798 /nfs/dbraw/zinc/90/27/98/588902798.db2.gz ABZNWIAXWRYIPX-GDBMZVCRSA-N 2 1 345.422 0.809 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@](C)(C#N)C1 ZINC000895666871 586196964 /nfs/dbraw/zinc/19/69/64/586196964.db2.gz UDOKDYJQDFUDFO-GOEBONIOSA-N 2 1 325.457 0.582 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@](C)(C#N)C1 ZINC000895666871 586196966 /nfs/dbraw/zinc/19/69/66/586196966.db2.gz UDOKDYJQDFUDFO-GOEBONIOSA-N 2 1 325.457 0.582 20 30 ECEDMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)CC2)cs1 ZINC000844195167 589102454 /nfs/dbraw/zinc/10/24/54/589102454.db2.gz QVZKHLREBHTGCI-UKRRQHHQSA-N 2 1 333.461 0.891 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849111373 589320818 /nfs/dbraw/zinc/32/08/18/589320818.db2.gz ZAYGOAOHFWIJHV-HNNXBMFYSA-N 2 1 325.501 0.604 20 30 ECEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000876748939 590409153 /nfs/dbraw/zinc/40/91/53/590409153.db2.gz JHEPLEYCWBYDOR-CHWSQXEVSA-N 2 1 330.860 0.515 20 30 ECEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000884179343 590763553 /nfs/dbraw/zinc/76/35/53/590763553.db2.gz MAANPJHEBZLKME-LPMVOBIJSA-N 2 1 332.448 0.449 20 30 ECEDMP N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)C3C[NH2+]C3)CC2)c1 ZINC000923652519 611336428 /nfs/dbraw/zinc/33/64/28/611336428.db2.gz OSKXYDYFURAJNE-UHFFFAOYSA-N 2 1 334.445 0.414 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000157398276 608884455 /nfs/dbraw/zinc/88/44/55/608884455.db2.gz BJFFAVCTGINJOU-QGZVFWFLSA-N 3 1 339.528 0.981 20 30 ECEDMP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000157398276 608884458 /nfs/dbraw/zinc/88/44/58/608884458.db2.gz BJFFAVCTGINJOU-QGZVFWFLSA-N 3 1 339.528 0.981 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000157398276 608884461 /nfs/dbraw/zinc/88/44/61/608884461.db2.gz BJFFAVCTGINJOU-QGZVFWFLSA-N 3 1 339.528 0.981 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000938170052 609481356 /nfs/dbraw/zinc/48/13/56/609481356.db2.gz BYSSJPUOWXJOSG-YESZJQIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000938170052 609481358 /nfs/dbraw/zinc/48/13/58/609481358.db2.gz BYSSJPUOWXJOSG-YESZJQIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C[NH+](C)CC#CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000913518101 609684993 /nfs/dbraw/zinc/68/49/93/609684993.db2.gz DOQMYLXNYIPOHL-SFHVURJKSA-N 2 1 328.460 0.656 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000938754882 609973344 /nfs/dbraw/zinc/97/33/44/609973344.db2.gz PXQFXPUBWGCZAS-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000938754882 609973346 /nfs/dbraw/zinc/97/33/46/609973346.db2.gz PXQFXPUBWGCZAS-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938754882 609973350 /nfs/dbraw/zinc/97/33/50/609973350.db2.gz PXQFXPUBWGCZAS-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000938754882 609973352 /nfs/dbraw/zinc/97/33/52/609973352.db2.gz PXQFXPUBWGCZAS-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000939751211 610114907 /nfs/dbraw/zinc/11/49/07/610114907.db2.gz MLAJVGQMBWDRPZ-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCCN1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443759 610308803 /nfs/dbraw/zinc/30/88/03/610308803.db2.gz SIUHZJQEBVMGHY-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443759 610308805 /nfs/dbraw/zinc/30/88/05/610308805.db2.gz SIUHZJQEBVMGHY-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443759 610308807 /nfs/dbraw/zinc/30/88/07/610308807.db2.gz SIUHZJQEBVMGHY-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566322 610386218 /nfs/dbraw/zinc/38/62/18/610386218.db2.gz BNMBYFIYHUQHNJ-FUHWJXTLSA-N 2 1 334.508 0.979 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000941242028 610614732 /nfs/dbraw/zinc/61/47/32/610614732.db2.gz RZDPCVSTWPAMED-CVEARBPZSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000941242028 610614735 /nfs/dbraw/zinc/61/47/35/610614735.db2.gz RZDPCVSTWPAMED-CVEARBPZSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824374 611174701 /nfs/dbraw/zinc/17/47/01/611174701.db2.gz KFFLOIYZPJDMJT-HDICACEKSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824374 611174702 /nfs/dbraw/zinc/17/47/02/611174702.db2.gz KFFLOIYZPJDMJT-HDICACEKSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000922348967 611347752 /nfs/dbraw/zinc/34/77/52/611347752.db2.gz WCSBYZQETLOMQO-UHFFFAOYSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000929566895 611765652 /nfs/dbraw/zinc/76/56/52/611765652.db2.gz GXBKKEKYICURLG-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC000969965178 732563746 /nfs/dbraw/zinc/56/37/46/732563746.db2.gz NSEPRXYEVFVATD-CVEARBPZSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H](CC)C(N)=O)C2)CC1 ZINC000970919750 734089541 /nfs/dbraw/zinc/08/95/41/734089541.db2.gz FXRWZVMWAWNVRY-CJNGLKHVSA-N 2 1 334.464 0.032 20 30 ECEDMP CN1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)C1 ZINC000971271047 734414617 /nfs/dbraw/zinc/41/46/17/734414617.db2.gz JNPIWEYQPFNYCH-XJKSGUPXSA-N 2 1 348.472 0.983 20 30 ECEDMP CN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000971271047 734414618 /nfs/dbraw/zinc/41/46/18/734414618.db2.gz JNPIWEYQPFNYCH-XJKSGUPXSA-N 2 1 348.472 0.983 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2O)CC1 ZINC001078227178 782523613 /nfs/dbraw/zinc/52/36/13/782523613.db2.gz MVQBSPLVUYIVMT-IAGOWNOFSA-N 2 1 335.492 0.929 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001023759292 737319629 /nfs/dbraw/zinc/31/96/29/737319629.db2.gz FCNVHDLJCFPDGY-HOTGVXAUSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nonc2C)C1 ZINC001024021625 737626007 /nfs/dbraw/zinc/62/60/07/737626007.db2.gz GVRWWISSQFZJNF-RDJZCZTQSA-N 2 1 345.447 0.804 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nonc2C)C1 ZINC001024021625 737626010 /nfs/dbraw/zinc/62/60/10/737626010.db2.gz GVRWWISSQFZJNF-RDJZCZTQSA-N 2 1 345.447 0.804 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1=O ZINC001203208948 739957133 /nfs/dbraw/zinc/95/71/33/739957133.db2.gz PHPIFJBYVWJCMQ-MRXNPFEDSA-N 2 1 336.480 0.696 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261597356 751752329 /nfs/dbraw/zinc/75/23/29/751752329.db2.gz AADBVHIFCWNOMB-AWEZNQCLSA-N 2 1 345.513 0.047 20 30 ECEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996801208 742888561 /nfs/dbraw/zinc/88/85/61/742888561.db2.gz FKIHEWYHTJKNKE-AOCRQIFASA-N 2 1 332.492 0.616 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CCN([C@H](C)C(N)=O)CC1 ZINC000997148361 743288030 /nfs/dbraw/zinc/28/80/30/743288030.db2.gz GOUUWCKXYVDMTJ-FMKPAKJESA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000997148361 743288036 /nfs/dbraw/zinc/28/80/36/743288036.db2.gz GOUUWCKXYVDMTJ-FMKPAKJESA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000997148361 743288040 /nfs/dbraw/zinc/28/80/40/743288040.db2.gz GOUUWCKXYVDMTJ-FMKPAKJESA-N 2 1 334.464 0.175 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001020588746 751850217 /nfs/dbraw/zinc/85/02/17/751850217.db2.gz LAEWNBUMBFORSR-FPCVCCKLSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@@]2(C)C1 ZINC000982282809 751860188 /nfs/dbraw/zinc/86/01/88/751860188.db2.gz ICEDEUIYYBGQJP-OGWHTMIXSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@]2(C)C1 ZINC000982282809 751860195 /nfs/dbraw/zinc/86/01/95/751860195.db2.gz ICEDEUIYYBGQJP-OGWHTMIXSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@]2(C)C1 ZINC000982282809 751860202 /nfs/dbraw/zinc/86/02/02/751860202.db2.gz ICEDEUIYYBGQJP-OGWHTMIXSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000997831592 743842173 /nfs/dbraw/zinc/84/21/73/743842173.db2.gz JSGQUAHKXKVSNF-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000997831592 743842178 /nfs/dbraw/zinc/84/21/78/743842178.db2.gz JSGQUAHKXKVSNF-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813680 744357066 /nfs/dbraw/zinc/35/70/66/744357066.db2.gz XKSXJVLGDFTGRO-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813680 744357071 /nfs/dbraw/zinc/35/70/71/744357071.db2.gz XKSXJVLGDFTGRO-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000998922021 744407078 /nfs/dbraw/zinc/40/70/78/744407078.db2.gz CQLYMYAYJHHALV-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000998922021 744407080 /nfs/dbraw/zinc/40/70/80/744407080.db2.gz CQLYMYAYJHHALV-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999389799 744670789 /nfs/dbraw/zinc/67/07/89/744670789.db2.gz CJQMZLFDYMJYTH-SJORKVTESA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999389799 744670790 /nfs/dbraw/zinc/67/07/90/744670790.db2.gz CJQMZLFDYMJYTH-SJORKVTESA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002628 745167009 /nfs/dbraw/zinc/16/70/09/745167009.db2.gz KTCFGRUGPCCFKI-INIZCTEOSA-N 2 1 342.447 0.403 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043832 745224344 /nfs/dbraw/zinc/22/43/44/745224344.db2.gz KJWVEXVNOBZBBJ-ZBFHGGJFSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043832 745224347 /nfs/dbraw/zinc/22/43/47/745224347.db2.gz KJWVEXVNOBZBBJ-ZBFHGGJFSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043832 745224353 /nfs/dbraw/zinc/22/43/53/745224353.db2.gz KJWVEXVNOBZBBJ-ZBFHGGJFSA-N 2 1 330.436 0.116 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361038 752067986 /nfs/dbraw/zinc/06/79/86/752067986.db2.gz OHJPHUQRWGOZRG-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001105342774 747589682 /nfs/dbraw/zinc/58/96/82/747589682.db2.gz VVLIHJWXMSZAME-UHFFFAOYSA-N 2 1 348.451 0.049 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001002827522 747841780 /nfs/dbraw/zinc/84/17/80/747841780.db2.gz VHZXWSCNEUZZIR-DLBZAZTESA-N 2 1 348.491 0.245 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001002827522 747841792 /nfs/dbraw/zinc/84/17/92/747841792.db2.gz VHZXWSCNEUZZIR-DLBZAZTESA-N 2 1 348.491 0.245 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nonc2C)C1 ZINC001029757975 748269076 /nfs/dbraw/zinc/26/90/76/748269076.db2.gz NBBYNAHFNHQWBO-WBVHZDCISA-N 2 1 345.447 0.756 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973855 749096470 /nfs/dbraw/zinc/09/64/70/749096470.db2.gz GQXZFOXEMWEJLA-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262766556 749679433 /nfs/dbraw/zinc/67/94/33/749679433.db2.gz GENFQXCSISXLPH-INIZCTEOSA-N 2 1 338.496 0.911 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168145920 749700927 /nfs/dbraw/zinc/70/09/27/749700927.db2.gz BCYSGLCQAIRYKH-GJZGRUSLSA-N 2 1 336.480 0.505 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)[C@@H]2C)CC1 ZINC000987575307 750977673 /nfs/dbraw/zinc/97/76/73/750977673.db2.gz JDFDKVQTADDPPF-HOCLYGCPSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812884 751133256 /nfs/dbraw/zinc/13/32/56/751133256.db2.gz XEUFGBMGXAZAJY-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812884 751133259 /nfs/dbraw/zinc/13/32/59/751133259.db2.gz XEUFGBMGXAZAJY-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001028334052 752413947 /nfs/dbraw/zinc/41/39/47/752413947.db2.gz VLDWYHGZRGAYMF-CVEARBPZSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644751 752604485 /nfs/dbraw/zinc/60/44/85/752604485.db2.gz DUEUIECZDUSBDY-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465464 752754376 /nfs/dbraw/zinc/75/43/76/752754376.db2.gz LATJIZRDVUWHAL-CRAIPNDOSA-N 2 1 342.443 0.827 20 30 ECEDMP CN1CCO[C@@H](C(=O)NC[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001028465464 752754381 /nfs/dbraw/zinc/75/43/81/752754381.db2.gz LATJIZRDVUWHAL-CRAIPNDOSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261754269 753259587 /nfs/dbraw/zinc/25/95/87/753259587.db2.gz MEYKQZXHENVGGE-XJKSGUPXSA-N 2 1 341.525 0.587 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218318 754667684 /nfs/dbraw/zinc/66/76/84/754667684.db2.gz BKXUCIZUEYSVGX-HZPDHXFCSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218318 754667686 /nfs/dbraw/zinc/66/76/86/754667686.db2.gz BKXUCIZUEYSVGX-HZPDHXFCSA-N 2 1 346.475 0.450 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472563 755592297 /nfs/dbraw/zinc/59/22/97/755592297.db2.gz FBMPWTQONKXCGT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472563 755592298 /nfs/dbraw/zinc/59/22/98/755592298.db2.gz FBMPWTQONKXCGT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472563 755592302 /nfs/dbraw/zinc/59/23/02/755592302.db2.gz FBMPWTQONKXCGT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472563 755592305 /nfs/dbraw/zinc/59/23/05/755592305.db2.gz FBMPWTQONKXCGT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1=O ZINC001076575001 756662922 /nfs/dbraw/zinc/66/29/22/756662922.db2.gz VMLPUWIQXRMJJE-YESZJQIVSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001048869403 757235529 /nfs/dbraw/zinc/23/55/29/757235529.db2.gz WJQWODMAFHVADA-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001048869403 757235533 /nfs/dbraw/zinc/23/55/33/757235533.db2.gz WJQWODMAFHVADA-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001048869403 757235536 /nfs/dbraw/zinc/23/55/36/757235536.db2.gz WJQWODMAFHVADA-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001048869403 757235540 /nfs/dbraw/zinc/23/55/40/757235540.db2.gz WJQWODMAFHVADA-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001021927624 758073126 /nfs/dbraw/zinc/07/31/26/758073126.db2.gz HQHPPGOFNJAQOK-IXDOHACOSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001021927624 758073142 /nfs/dbraw/zinc/07/31/42/758073142.db2.gz HQHPPGOFNJAQOK-IXDOHACOSA-N 2 1 328.416 0.626 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001022070541 758233814 /nfs/dbraw/zinc/23/38/14/758233814.db2.gz WFAZQNFWQXJEIR-TWMKSMIVSA-N 2 1 348.491 0.883 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001051660497 762618591 /nfs/dbraw/zinc/61/85/91/762618591.db2.gz VKNZFRYTUWAZNA-MSOLQXFVSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001051660497 762618594 /nfs/dbraw/zinc/61/85/94/762618594.db2.gz VKNZFRYTUWAZNA-MSOLQXFVSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001022220783 758441596 /nfs/dbraw/zinc/44/15/96/758441596.db2.gz PEGPQXXFVQLKJN-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001022220783 758441603 /nfs/dbraw/zinc/44/16/03/758441603.db2.gz PEGPQXXFVQLKJN-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779962 758631034 /nfs/dbraw/zinc/63/10/34/758631034.db2.gz UNLHECWMPXMEDL-VXGBXAGGSA-N 2 1 332.242 0.464 20 30 ECEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779961 758631175 /nfs/dbraw/zinc/63/11/75/758631175.db2.gz UNLHECWMPXMEDL-RYUDHWBXSA-N 2 1 332.242 0.464 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001022437255 758725770 /nfs/dbraw/zinc/72/57/70/758725770.db2.gz BUKWHPLFIOKROE-QLFBSQMISA-N 2 1 331.420 0.215 20 30 ECEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611311 758992174 /nfs/dbraw/zinc/99/21/74/758992174.db2.gz OMSKXWQVTXUGDP-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611311 758992180 /nfs/dbraw/zinc/99/21/80/758992180.db2.gz OMSKXWQVTXUGDP-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611311 758992185 /nfs/dbraw/zinc/99/21/85/758992185.db2.gz OMSKXWQVTXUGDP-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H](C)O)CC1 ZINC001049918805 759402228 /nfs/dbraw/zinc/40/22/28/759402228.db2.gz MOTHSKUHJIXKCI-NXHRZFHOSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202072 759929291 /nfs/dbraw/zinc/92/92/91/759929291.db2.gz ISUCNBFQJUYRFY-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202072 759929295 /nfs/dbraw/zinc/92/92/95/759929295.db2.gz ISUCNBFQJUYRFY-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050526941 760432303 /nfs/dbraw/zinc/43/23/03/760432303.db2.gz VSRHAZZUZCRMRM-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050542832 760461438 /nfs/dbraw/zinc/46/14/38/760461438.db2.gz QDLSTFXRKVFDMF-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027971 763621882 /nfs/dbraw/zinc/62/18/82/763621882.db2.gz LREHVAYJQCSLJP-MSOLQXFVSA-N 2 1 332.492 0.733 20 30 ECEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027971 763621891 /nfs/dbraw/zinc/62/18/91/763621891.db2.gz LREHVAYJQCSLJP-MSOLQXFVSA-N 2 1 332.492 0.733 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027988 763623681 /nfs/dbraw/zinc/62/36/81/763623681.db2.gz MFVUCICPJRZXAG-OALUTQOASA-N 2 1 344.503 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027987 763623846 /nfs/dbraw/zinc/62/38/46/763623846.db2.gz MFVUCICPJRZXAG-MOPGFXCFSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527516 764597047 /nfs/dbraw/zinc/59/70/47/764597047.db2.gz GJELVSXUFRNJJH-GRDNDAEWSA-N 2 1 325.428 0.336 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875069 764601395 /nfs/dbraw/zinc/60/13/95/764601395.db2.gz LAOCYEBDYZYRQO-MLHJIOFPSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875069 764601401 /nfs/dbraw/zinc/60/14/01/764601401.db2.gz LAOCYEBDYZYRQO-MLHJIOFPSA-N 2 1 331.460 0.511 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528679 764604227 /nfs/dbraw/zinc/60/42/27/764604227.db2.gz XNJSBMSVHUOQLU-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528679 764604230 /nfs/dbraw/zinc/60/42/30/764604230.db2.gz XNJSBMSVHUOQLU-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC001089060000 764918651 /nfs/dbraw/zinc/91/86/51/764918651.db2.gz MUUJXIKOXAFBSN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC001089060000 764918656 /nfs/dbraw/zinc/91/86/56/764918656.db2.gz MUUJXIKOXAFBSN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626532 764919970 /nfs/dbraw/zinc/91/99/70/764919970.db2.gz DKRMMEZENMUVOX-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626532 764919972 /nfs/dbraw/zinc/91/99/72/764919972.db2.gz DKRMMEZENMUVOX-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626532 764919981 /nfs/dbraw/zinc/91/99/81/764919981.db2.gz DKRMMEZENMUVOX-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626532 764919999 /nfs/dbraw/zinc/91/99/99/764919999.db2.gz DKRMMEZENMUVOX-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)O)CC1 ZINC001045896228 766477876 /nfs/dbraw/zinc/47/78/76/766477876.db2.gz YVVMKASRPHSIHH-JQHSSLGASA-N 2 1 333.476 0.778 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077258 766906624 /nfs/dbraw/zinc/90/66/24/766906624.db2.gz UEBHFVYJLVNQEH-QGZVFWFLSA-N 2 1 330.476 0.324 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081659 766919994 /nfs/dbraw/zinc/91/99/94/766919994.db2.gz HSRAJHRRJDHBDO-CVEARBPZSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081659 766919999 /nfs/dbraw/zinc/91/99/99/766919999.db2.gz HSRAJHRRJDHBDO-CVEARBPZSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081659 766920003 /nfs/dbraw/zinc/92/00/03/766920003.db2.gz HSRAJHRRJDHBDO-CVEARBPZSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081659 766920007 /nfs/dbraw/zinc/92/00/07/766920007.db2.gz HSRAJHRRJDHBDO-CVEARBPZSA-N 2 1 340.899 0.909 20 30 ECEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293524 767173923 /nfs/dbraw/zinc/17/39/23/767173923.db2.gz VOTCHLLTVZLQSA-GVDBMIGSSA-N 2 1 337.464 0.346 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144716 767740290 /nfs/dbraw/zinc/74/02/90/767740290.db2.gz CNDIWGKDSGDNOC-HKUYNNGSSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144716 767740294 /nfs/dbraw/zinc/74/02/94/767740294.db2.gz CNDIWGKDSGDNOC-HKUYNNGSSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001042065428 782706901 /nfs/dbraw/zinc/70/69/01/782706901.db2.gz STUQSBQJNBRJCL-WBVHZDCISA-N 2 1 329.448 0.614 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001055539490 769056298 /nfs/dbraw/zinc/05/62/98/769056298.db2.gz YRGOLWCLPYHPBP-UHFFFAOYSA-N 2 1 347.463 0.855 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026870 790373154 /nfs/dbraw/zinc/37/31/54/790373154.db2.gz LOEVWMRVWFHCMV-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026870 790373168 /nfs/dbraw/zinc/37/31/68/790373168.db2.gz LOEVWMRVWFHCMV-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026870 790373179 /nfs/dbraw/zinc/37/31/79/790373179.db2.gz LOEVWMRVWFHCMV-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685268 776040088 /nfs/dbraw/zinc/04/00/88/776040088.db2.gz GNKPTPOCBAEZAF-IAGOWNOFSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001070286981 783792388 /nfs/dbraw/zinc/79/23/88/783792388.db2.gz JJAWQZVFXUNOFL-CABCVRRESA-N 2 1 343.435 0.826 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001070287139 783792480 /nfs/dbraw/zinc/79/24/80/783792480.db2.gz PSDKGWPRYWYWNA-CABCVRRESA-N 2 1 341.419 0.273 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070311007 783816255 /nfs/dbraw/zinc/81/62/55/783816255.db2.gz IPSGPYAYAJBUCW-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566273 784284368 /nfs/dbraw/zinc/28/43/68/784284368.db2.gz IFIWTSIRKYPSSF-USXIJHARSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566273 784284374 /nfs/dbraw/zinc/28/43/74/784284374.db2.gz IFIWTSIRKYPSSF-USXIJHARSA-N 2 1 347.463 0.211 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071098337 784538506 /nfs/dbraw/zinc/53/85/06/784538506.db2.gz JZCIGTSQTVVSRA-WDYCEAGBSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001070719021 784593000 /nfs/dbraw/zinc/59/30/00/784593000.db2.gz OXDNDPDWDNJKAZ-HUUCEWRRSA-N 2 1 326.404 0.142 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218349 784762145 /nfs/dbraw/zinc/76/21/45/784762145.db2.gz MKKDOARBXVFHOX-HKUYNNGSSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218349 784762148 /nfs/dbraw/zinc/76/21/48/784762148.db2.gz MKKDOARBXVFHOX-HKUYNNGSSA-N 2 1 349.475 0.424 20 30 ECEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603822 786755815 /nfs/dbraw/zinc/75/58/15/786755815.db2.gz PNGITJCRVSJIOX-OAHLLOKOSA-N 2 1 335.452 0.451 20 30 ECEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710378 787020547 /nfs/dbraw/zinc/02/05/47/787020547.db2.gz YSRARLIDGWKDKD-NDUQDZPOSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710378 787020557 /nfs/dbraw/zinc/02/05/57/787020557.db2.gz YSRARLIDGWKDKD-NDUQDZPOSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710378 787020562 /nfs/dbraw/zinc/02/05/62/787020562.db2.gz YSRARLIDGWKDKD-NDUQDZPOSA-N 2 1 335.448 0.243 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCCO2)CC1 ZINC001073899425 787474633 /nfs/dbraw/zinc/47/46/33/787474633.db2.gz STKXWRYHTICKHF-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001266869828 836414995 /nfs/dbraw/zinc/41/49/95/836414995.db2.gz CIRAPSDNUMVLIV-IRXDYDNUSA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001266869828 836414999 /nfs/dbraw/zinc/41/49/99/836414999.db2.gz CIRAPSDNUMVLIV-IRXDYDNUSA-N 2 1 348.491 0.533 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898363 836449929 /nfs/dbraw/zinc/44/99/29/836449929.db2.gz VHBOGSLSUPITQO-JKSUJKDBSA-N 2 1 334.464 0.048 20 30 ECEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001267002816 836600550 /nfs/dbraw/zinc/60/05/50/836600550.db2.gz ULBXGRPDZULSSB-MRXNPFEDSA-N 2 1 347.463 0.712 20 30 ECEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081300853 217380251 /nfs/dbraw/zinc/38/02/51/217380251.db2.gz WVKVZHOGWLXAKT-KRWDZBQOSA-N 2 1 330.432 0.779 20 30 ECEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081300853 217380253 /nfs/dbraw/zinc/38/02/53/217380253.db2.gz WVKVZHOGWLXAKT-KRWDZBQOSA-N 2 1 330.432 0.779 20 30 ECEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262803528 254510659 /nfs/dbraw/zinc/51/06/59/254510659.db2.gz RJKYFRSJIIGIHZ-XJKSGUPXSA-N 2 1 341.525 0.600 20 30 ECEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000329820052 298245639 /nfs/dbraw/zinc/24/56/39/298245639.db2.gz YBZCCSBRWADBPV-BZUAXINKSA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000329820052 298245643 /nfs/dbraw/zinc/24/56/43/298245643.db2.gz YBZCCSBRWADBPV-BZUAXINKSA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000329820052 298245644 /nfs/dbraw/zinc/24/56/44/298245644.db2.gz YBZCCSBRWADBPV-BZUAXINKSA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264093741 437017652 /nfs/dbraw/zinc/01/76/52/437017652.db2.gz LXRKFLRZCQVCDA-HNNXBMFYSA-N 2 1 331.468 0.788 20 30 ECEDMP NC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000341880663 303261315 /nfs/dbraw/zinc/26/13/15/303261315.db2.gz GRKAILLEOLPUJL-HZPDHXFCSA-N 2 1 334.464 0.450 20 30 ECEDMP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000328691511 437252205 /nfs/dbraw/zinc/25/22/05/437252205.db2.gz DXAZFILURYKECK-HNNXBMFYSA-N 2 1 339.484 0.386 20 30 ECEDMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000328691511 437252208 /nfs/dbraw/zinc/25/22/08/437252208.db2.gz DXAZFILURYKECK-HNNXBMFYSA-N 2 1 339.484 0.386 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333427147 437271086 /nfs/dbraw/zinc/27/10/86/437271086.db2.gz UCSWGTMWKKSPAJ-INIZCTEOSA-N 2 1 349.479 0.243 20 30 ECEDMP COc1cccc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267412986 437327023 /nfs/dbraw/zinc/32/70/23/437327023.db2.gz ISGVHNQQXFOLPA-MRXNPFEDSA-N 2 1 336.436 0.355 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000343882634 437679903 /nfs/dbraw/zinc/67/99/03/437679903.db2.gz DYZFMFAAEQPFQT-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000357980385 438116175 /nfs/dbraw/zinc/11/61/75/438116175.db2.gz MQBLLSUNLMVKCX-UHFFFAOYSA-N 2 1 333.436 0.464 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471185 438263555 /nfs/dbraw/zinc/26/35/55/438263555.db2.gz ILNPAOIIGRWMMZ-WCVJEAGWSA-N 2 1 334.464 0.161 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000378448454 438390846 /nfs/dbraw/zinc/39/08/46/438390846.db2.gz CVMXCWQVGPEUAL-VQHPVUNQSA-N 2 1 334.464 0.980 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000514668484 438824350 /nfs/dbraw/zinc/82/43/50/438824350.db2.gz DYOXKEDNAHWKPB-KRWDZBQOSA-N 2 1 346.475 0.914 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000491297947 439365083 /nfs/dbraw/zinc/36/50/83/439365083.db2.gz SNKQBUDAFNGJIN-UHFFFAOYSA-N 2 1 336.480 0.695 20 30 ECEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000491383875 439373548 /nfs/dbraw/zinc/37/35/48/439373548.db2.gz MTUKOPKLMQGKHE-MRXNPFEDSA-N 2 1 344.415 0.409 20 30 ECEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000491383875 439373551 /nfs/dbraw/zinc/37/35/51/439373551.db2.gz MTUKOPKLMQGKHE-MRXNPFEDSA-N 2 1 344.415 0.409 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000900684921 586655730 /nfs/dbraw/zinc/65/57/30/586655730.db2.gz IIOHHIRGMUVYGH-UHFFFAOYSA-N 2 1 338.496 0.897 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000900684921 586655731 /nfs/dbraw/zinc/65/57/31/586655731.db2.gz IIOHHIRGMUVYGH-UHFFFAOYSA-N 2 1 338.496 0.897 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510497 586781044 /nfs/dbraw/zinc/78/10/44/586781044.db2.gz QZYPXCFDHBSECF-BMFZPTHFSA-N 2 1 349.479 0.287 20 30 ECEDMP C=CCN(CC=C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903711065 586803377 /nfs/dbraw/zinc/80/33/77/586803377.db2.gz PXKDKLSBXVCAHH-CALCHBBNSA-N 2 1 346.475 0.614 20 30 ECEDMP C=CCN(CC=C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903711065 586803379 /nfs/dbraw/zinc/80/33/79/586803379.db2.gz PXKDKLSBXVCAHH-CALCHBBNSA-N 2 1 346.475 0.614 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000838622261 586818575 /nfs/dbraw/zinc/81/85/75/586818575.db2.gz BAZJBEUEOJOTIW-KRWDZBQOSA-N 2 1 335.496 0.363 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000838622261 586818577 /nfs/dbraw/zinc/81/85/77/586818577.db2.gz BAZJBEUEOJOTIW-KRWDZBQOSA-N 2 1 335.496 0.363 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000838622261 586818580 /nfs/dbraw/zinc/81/85/80/586818580.db2.gz BAZJBEUEOJOTIW-KRWDZBQOSA-N 2 1 335.496 0.363 20 30 ECEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003258 587463949 /nfs/dbraw/zinc/46/39/49/587463949.db2.gz CNTGEUIPBONTPH-IRXDYDNUSA-N 2 1 330.432 0.769 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849518838 589338837 /nfs/dbraw/zinc/33/88/37/589338837.db2.gz PEFWZAPTIXUFCM-QZTJIDSGSA-N 2 1 343.475 0.623 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849518838 589338839 /nfs/dbraw/zinc/33/88/39/589338839.db2.gz PEFWZAPTIXUFCM-QZTJIDSGSA-N 2 1 343.475 0.623 20 30 ECEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864703 589519440 /nfs/dbraw/zinc/51/94/40/589519440.db2.gz FHFLHOSHSUNJDO-INIZCTEOSA-N 2 1 334.464 0.048 20 30 ECEDMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852885112 589521851 /nfs/dbraw/zinc/52/18/51/589521851.db2.gz MTEREWHGCOBCQV-GOSISDBHSA-N 2 1 332.492 0.618 20 30 ECEDMP C#CCC1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000883770462 590664036 /nfs/dbraw/zinc/66/40/36/590664036.db2.gz RKRCYHJTOOXZEU-INIZCTEOSA-N 2 1 338.496 0.818 20 30 ECEDMP C#CCC1(O)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000883770462 590664038 /nfs/dbraw/zinc/66/40/38/590664038.db2.gz RKRCYHJTOOXZEU-INIZCTEOSA-N 2 1 338.496 0.818 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000884160766 590756965 /nfs/dbraw/zinc/75/69/65/590756965.db2.gz NNVVQAMWLYBQPC-KRWDZBQOSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000884160766 590756968 /nfs/dbraw/zinc/75/69/68/590756968.db2.gz NNVVQAMWLYBQPC-KRWDZBQOSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)[C@H](C)C2)CC1 ZINC000948071570 611408624 /nfs/dbraw/zinc/40/86/24/611408624.db2.gz ZANAMXTUCOPMAH-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC000949060884 611571015 /nfs/dbraw/zinc/57/10/15/611571015.db2.gz QANBIAMPPNFYRS-INIZCTEOSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949060884 611571017 /nfs/dbraw/zinc/57/10/17/611571017.db2.gz QANBIAMPPNFYRS-INIZCTEOSA-N 2 1 337.464 0.587 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000908164493 609646107 /nfs/dbraw/zinc/64/61/07/609646107.db2.gz NPRGGQHPWDIVNN-MQVJKMGUSA-N 2 1 336.480 0.694 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000913920153 609834373 /nfs/dbraw/zinc/83/43/73/609834373.db2.gz IXMXRUKSBGULHC-QGZVFWFLSA-N 2 1 336.480 0.740 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C#N ZINC000912536661 609966719 /nfs/dbraw/zinc/96/67/19/609966719.db2.gz YSNXPXOOAHPBOI-HNNXBMFYSA-N 2 1 337.468 0.233 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C#N)C1 ZINC000912536661 609966721 /nfs/dbraw/zinc/96/67/21/609966721.db2.gz YSNXPXOOAHPBOI-HNNXBMFYSA-N 2 1 337.468 0.233 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C#N)C1 ZINC000912536661 609966723 /nfs/dbraw/zinc/96/67/23/609966723.db2.gz YSNXPXOOAHPBOI-HNNXBMFYSA-N 2 1 337.468 0.233 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410669 610301502 /nfs/dbraw/zinc/30/15/02/610301502.db2.gz LNXNHUQDXAYWTP-GOSISDBHSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431927 610312407 /nfs/dbraw/zinc/31/24/07/610312407.db2.gz WOZVOZWPADSUGS-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431927 610312408 /nfs/dbraw/zinc/31/24/08/610312408.db2.gz WOZVOZWPADSUGS-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636591 610422226 /nfs/dbraw/zinc/42/22/26/610422226.db2.gz OBFBCKYADUCGQS-ROUUACIJSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000955339710 612459624 /nfs/dbraw/zinc/45/96/24/612459624.db2.gz KQOAQLMSABQIGZ-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000955339710 612459627 /nfs/dbraw/zinc/45/96/27/612459627.db2.gz KQOAQLMSABQIGZ-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000955339710 612459631 /nfs/dbraw/zinc/45/96/31/612459631.db2.gz KQOAQLMSABQIGZ-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000955339710 612459635 /nfs/dbraw/zinc/45/96/35/612459635.db2.gz KQOAQLMSABQIGZ-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000954631181 612469150 /nfs/dbraw/zinc/46/91/50/612469150.db2.gz RLVXDAIIXWDZAY-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000954631181 612469153 /nfs/dbraw/zinc/46/91/53/612469153.db2.gz RLVXDAIIXWDZAY-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000954631181 612469156 /nfs/dbraw/zinc/46/91/56/612469156.db2.gz RLVXDAIIXWDZAY-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000954631181 612469159 /nfs/dbraw/zinc/46/91/59/612469159.db2.gz RLVXDAIIXWDZAY-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C=C(Cl)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561186 735471340 /nfs/dbraw/zinc/47/13/40/735471340.db2.gz VVBCUJAJRQXSMS-CQSZACIVSA-N 2 1 329.872 0.976 20 30 ECEDMP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561186 735471343 /nfs/dbraw/zinc/47/13/43/735471343.db2.gz VVBCUJAJRQXSMS-CQSZACIVSA-N 2 1 329.872 0.976 20 30 ECEDMP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561186 735471346 /nfs/dbraw/zinc/47/13/46/735471346.db2.gz VVBCUJAJRQXSMS-CQSZACIVSA-N 2 1 329.872 0.976 20 30 ECEDMP C#CC[N@H+](CCO)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001098534756 733104585 /nfs/dbraw/zinc/10/45/85/733104585.db2.gz DOPHTBZKCHNPSW-UHFFFAOYSA-N 2 1 330.432 0.680 20 30 ECEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500658 736926429 /nfs/dbraw/zinc/92/64/29/736926429.db2.gz XIYVEMXCOYAKAG-WPZCVXBKSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500658 736926433 /nfs/dbraw/zinc/92/64/33/736926433.db2.gz XIYVEMXCOYAKAG-WPZCVXBKSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500658 736926436 /nfs/dbraw/zinc/92/64/36/736926436.db2.gz XIYVEMXCOYAKAG-WPZCVXBKSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]C(C)C)cc(=O)[nH]1 ZINC001087257583 737412939 /nfs/dbraw/zinc/41/29/39/737412939.db2.gz ZRTQAQFLDJTBCY-AWEZNQCLSA-N 2 1 331.420 0.394 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]C(C)C)cc(=O)[nH]1 ZINC001087257583 737412942 /nfs/dbraw/zinc/41/29/42/737412942.db2.gz ZRTQAQFLDJTBCY-AWEZNQCLSA-N 2 1 331.420 0.394 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2O)CC1 ZINC001078228446 782527499 /nfs/dbraw/zinc/52/74/99/782527499.db2.gz QQTZWUWUUVCHKT-RTBURBONSA-N 2 1 345.487 0.993 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629554 739794718 /nfs/dbraw/zinc/79/47/18/739794718.db2.gz IIOURKYKNMKMFN-FUHWJXTLSA-N 2 1 335.492 0.931 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001025793987 739960198 /nfs/dbraw/zinc/96/01/98/739960198.db2.gz GPGWDUDIUSXMSO-IKIFYQGPSA-N 2 1 346.475 0.160 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001025793987 739960200 /nfs/dbraw/zinc/96/02/00/739960200.db2.gz GPGWDUDIUSXMSO-IKIFYQGPSA-N 2 1 346.475 0.160 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001025793987 739960201 /nfs/dbraw/zinc/96/02/01/739960201.db2.gz GPGWDUDIUSXMSO-IKIFYQGPSA-N 2 1 346.475 0.160 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001025814040 739996459 /nfs/dbraw/zinc/99/64/59/739996459.db2.gz GXMBVSCSLWODMW-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001025814040 739996461 /nfs/dbraw/zinc/99/64/61/739996461.db2.gz GXMBVSCSLWODMW-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001025814040 739996462 /nfs/dbraw/zinc/99/64/62/739996462.db2.gz GXMBVSCSLWODMW-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H]3CCOC3)C[C@H]21 ZINC001025814040 739996463 /nfs/dbraw/zinc/99/64/63/739996463.db2.gz GXMBVSCSLWODMW-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H]3CCOC3)C[C@H]21 ZINC001025814040 739996465 /nfs/dbraw/zinc/99/64/65/739996465.db2.gz GXMBVSCSLWODMW-IECFSIQFSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167733019 740551627 /nfs/dbraw/zinc/55/16/27/740551627.db2.gz RVPOVCZTMPOCAQ-HZPDHXFCSA-N 2 1 348.491 0.342 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC001026508692 741495796 /nfs/dbraw/zinc/49/57/96/741495796.db2.gz FXSUTMMOSPWYCU-DQPZFDDXSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC001026508692 741495800 /nfs/dbraw/zinc/49/58/00/741495800.db2.gz FXSUTMMOSPWYCU-DQPZFDDXSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CC(=O)NC)C3)CC1 ZINC000982162140 751651944 /nfs/dbraw/zinc/65/19/44/751651944.db2.gz KCNQCFKFHBYYSD-UHFFFAOYSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC(=O)NC)C3)CC1 ZINC000982162140 751651946 /nfs/dbraw/zinc/65/19/46/751651946.db2.gz KCNQCFKFHBYYSD-UHFFFAOYSA-N 2 1 346.475 0.002 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCCCN3C)C2)nn1 ZINC001105268272 741609957 /nfs/dbraw/zinc/60/99/57/741609957.db2.gz HMRYBRLGUUFYIN-MRXNPFEDSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CC)C1 ZINC001026893428 742037830 /nfs/dbraw/zinc/03/78/30/742037830.db2.gz GLQSQTALCLPPAA-HOTGVXAUSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncnn2CC)C1 ZINC001026893428 742037835 /nfs/dbraw/zinc/03/78/35/742037835.db2.gz GLQSQTALCLPPAA-HOTGVXAUSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC001026894246 742040290 /nfs/dbraw/zinc/04/02/90/742040290.db2.gz YNDVNTNYSQWJQP-SJORKVTESA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC001026894246 742040295 /nfs/dbraw/zinc/04/02/95/742040295.db2.gz YNDVNTNYSQWJQP-SJORKVTESA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001029003029 743155255 /nfs/dbraw/zinc/15/52/55/743155255.db2.gz GZBOHYGSMKCONF-NVXWUHKLSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001029004520 743164348 /nfs/dbraw/zinc/16/43/48/743164348.db2.gz YGWBQESLITZFAI-NVXWUHKLSA-N 2 1 346.475 0.048 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261962335 743188688 /nfs/dbraw/zinc/18/86/88/743188688.db2.gz KOKXRKDZPRWPQC-USXIJHARSA-N 3 1 336.528 0.270 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261962335 743188691 /nfs/dbraw/zinc/18/86/91/743188691.db2.gz KOKXRKDZPRWPQC-USXIJHARSA-N 3 1 336.528 0.270 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261962335 743188693 /nfs/dbraw/zinc/18/86/93/743188693.db2.gz KOKXRKDZPRWPQC-USXIJHARSA-N 3 1 336.528 0.270 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000997148708 743288243 /nfs/dbraw/zinc/28/82/43/743288243.db2.gz IQLBLKNNLNDBRT-HYVNUMGLSA-N 2 1 346.475 0.189 20 30 ECEDMP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262010090 743421849 /nfs/dbraw/zinc/42/18/49/743421849.db2.gz WLFCOIIIXCJGSZ-YQQAZPJKSA-N 3 1 336.528 0.270 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262023054 743479193 /nfs/dbraw/zinc/47/91/93/743479193.db2.gz ZECANZCWDWOZQG-GOEBONIOSA-N 2 1 337.512 0.745 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000997831655 743842230 /nfs/dbraw/zinc/84/22/30/743842230.db2.gz KCHKYIOLZJHELR-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000997831655 743842235 /nfs/dbraw/zinc/84/22/35/743842235.db2.gz KCHKYIOLZJHELR-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996940 745156689 /nfs/dbraw/zinc/15/66/89/745156689.db2.gz KKDJGQJWFZANMX-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996940 745156697 /nfs/dbraw/zinc/15/66/97/745156697.db2.gz KKDJGQJWFZANMX-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996940 745156701 /nfs/dbraw/zinc/15/67/01/745156701.db2.gz KKDJGQJWFZANMX-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000975551 745945770 /nfs/dbraw/zinc/94/57/70/745945770.db2.gz IZKCSDDKLBAGLU-HFCFLWKCSA-N 2 1 329.444 0.621 20 30 ECEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975551 745945776 /nfs/dbraw/zinc/94/57/76/745945776.db2.gz IZKCSDDKLBAGLU-HFCFLWKCSA-N 2 1 329.444 0.621 20 30 ECEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975551 745945781 /nfs/dbraw/zinc/94/57/81/745945781.db2.gz IZKCSDDKLBAGLU-HFCFLWKCSA-N 2 1 329.444 0.621 20 30 ECEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665194 746169137 /nfs/dbraw/zinc/16/91/37/746169137.db2.gz BQMHPIZZFFRMJI-FNYPPERVSA-N 2 1 331.460 0.842 20 30 ECEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665194 746169139 /nfs/dbraw/zinc/16/91/39/746169139.db2.gz BQMHPIZZFFRMJI-FNYPPERVSA-N 2 1 331.460 0.842 20 30 ECEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665194 746169141 /nfs/dbraw/zinc/16/91/41/746169141.db2.gz BQMHPIZZFFRMJI-FNYPPERVSA-N 2 1 331.460 0.842 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454538 746393042 /nfs/dbraw/zinc/39/30/42/746393042.db2.gz XTWPMCSGXCQMFX-DLBZAZTESA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454538 746393047 /nfs/dbraw/zinc/39/30/47/746393047.db2.gz XTWPMCSGXCQMFX-DLBZAZTESA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454538 746393051 /nfs/dbraw/zinc/39/30/51/746393051.db2.gz XTWPMCSGXCQMFX-DLBZAZTESA-N 2 1 346.475 0.473 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001001493169 746431056 /nfs/dbraw/zinc/43/10/56/746431056.db2.gz XARODYOTDZCALW-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001001493169 746431060 /nfs/dbraw/zinc/43/10/60/746431060.db2.gz XARODYOTDZCALW-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000305776326 748401523 /nfs/dbraw/zinc/40/15/23/748401523.db2.gz OJMUTBADGPCNAB-MGPQQGTHSA-N 2 1 325.457 0.011 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262659769 749221738 /nfs/dbraw/zinc/22/17/38/749221738.db2.gz MQBBYZOXFDACBD-ZIAGYGMSSA-N 2 1 345.513 0.189 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001168138997 749541631 /nfs/dbraw/zinc/54/16/31/749541631.db2.gz WMOUFTJWCTVRTE-HOTGVXAUSA-N 2 1 348.491 0.601 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H]3CCOC3)C2)CC1 ZINC000980479888 749641997 /nfs/dbraw/zinc/64/19/97/749641997.db2.gz YYGYQSNVDCMOHJ-AEFFLSMTSA-N 2 1 333.476 0.901 20 30 ECEDMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167812356 749717327 /nfs/dbraw/zinc/71/73/27/749717327.db2.gz NBKSNXKXCWVJCC-UHFFFAOYSA-N 2 1 337.468 0.234 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644754 752610433 /nfs/dbraw/zinc/61/04/33/752610433.db2.gz DUEUIECZDUSBDY-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(n3cc(C[NH2+]CC=C)nn3)C2)CC1 ZINC001105376920 754065439 /nfs/dbraw/zinc/06/54/39/754065439.db2.gz LCYOFHBZCCOMFA-UHFFFAOYSA-N 2 1 342.447 0.282 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000990276872 754931952 /nfs/dbraw/zinc/93/19/52/754931952.db2.gz KIALTURXORHZRV-HOTGVXAUSA-N 2 1 334.464 0.448 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000990572215 755417670 /nfs/dbraw/zinc/41/76/70/755417670.db2.gz ZRWYQFGVCYYZLL-SFHVURJKSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000990572215 755417673 /nfs/dbraw/zinc/41/76/73/755417673.db2.gz ZRWYQFGVCYYZLL-SFHVURJKSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001048870321 757238869 /nfs/dbraw/zinc/23/88/69/757238869.db2.gz XXYUHJJZETVOBH-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001048870321 757238874 /nfs/dbraw/zinc/23/88/74/757238874.db2.gz XXYUHJJZETVOBH-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001048870321 757238879 /nfs/dbraw/zinc/23/88/79/757238879.db2.gz XXYUHJJZETVOBH-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)o3)C[C@@H]2C1 ZINC001048870321 757238886 /nfs/dbraw/zinc/23/88/86/757238886.db2.gz XXYUHJJZETVOBH-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001077123766 758249152 /nfs/dbraw/zinc/24/91/52/758249152.db2.gz CASGHRCQNAHMMN-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001077123766 758249163 /nfs/dbraw/zinc/24/91/63/758249163.db2.gz CASGHRCQNAHMMN-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001077123766 758249172 /nfs/dbraw/zinc/24/91/72/758249172.db2.gz CASGHRCQNAHMMN-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001077123766 758249184 /nfs/dbraw/zinc/24/91/84/758249184.db2.gz CASGHRCQNAHMMN-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128761 758267989 /nfs/dbraw/zinc/26/79/89/758267989.db2.gz CTLDUFVJUNSXLQ-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128761 758267997 /nfs/dbraw/zinc/26/79/97/758267997.db2.gz CTLDUFVJUNSXLQ-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128761 758268003 /nfs/dbraw/zinc/26/80/03/758268003.db2.gz CTLDUFVJUNSXLQ-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128761 758268007 /nfs/dbraw/zinc/26/80/07/758268007.db2.gz CTLDUFVJUNSXLQ-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343108 758312157 /nfs/dbraw/zinc/31/21/57/758312157.db2.gz LEQYQISAYPHYBE-YQVWRLOYSA-N 2 1 349.475 0.328 20 30 ECEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343108 758312166 /nfs/dbraw/zinc/31/21/66/758312166.db2.gz LEQYQISAYPHYBE-YQVWRLOYSA-N 2 1 349.475 0.328 20 30 ECEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343108 758312174 /nfs/dbraw/zinc/31/21/74/758312174.db2.gz LEQYQISAYPHYBE-YQVWRLOYSA-N 2 1 349.475 0.328 20 30 ECEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343108 758312184 /nfs/dbraw/zinc/31/21/84/758312184.db2.gz LEQYQISAYPHYBE-YQVWRLOYSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CC)CC1 ZINC000996684076 758465421 /nfs/dbraw/zinc/46/54/21/758465421.db2.gz FYKTUEXQKJDSST-INIZCTEOSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2CC)CC1 ZINC000996684076 758465430 /nfs/dbraw/zinc/46/54/30/758465430.db2.gz FYKTUEXQKJDSST-INIZCTEOSA-N 2 1 344.463 0.476 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779975 758630874 /nfs/dbraw/zinc/63/08/74/758630874.db2.gz UPZLRAQSEJYZGH-MSOLQXFVSA-N 2 1 345.418 0.746 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100301 759701820 /nfs/dbraw/zinc/70/18/20/759701820.db2.gz YGMJXUJBZLKHEG-KZIZELGASA-N 2 1 343.471 0.796 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100301 759701828 /nfs/dbraw/zinc/70/18/28/759701828.db2.gz YGMJXUJBZLKHEG-KZIZELGASA-N 2 1 343.471 0.796 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100301 759701830 /nfs/dbraw/zinc/70/18/30/759701830.db2.gz YGMJXUJBZLKHEG-KZIZELGASA-N 2 1 343.471 0.796 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001050163985 759836916 /nfs/dbraw/zinc/83/69/16/759836916.db2.gz VOZNLGBLVBVDJV-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CCC2CC2)CC1 ZINC001051253896 761773025 /nfs/dbraw/zinc/77/30/25/761773025.db2.gz BBNLICAGRBGIRP-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CCC2CC2)CC1 ZINC001051253896 761773032 /nfs/dbraw/zinc/77/30/32/761773032.db2.gz BBNLICAGRBGIRP-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659930 763143594 /nfs/dbraw/zinc/14/35/94/763143594.db2.gz PEENGUIAMZSCLP-BZUAXINKSA-N 2 1 338.496 0.846 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001051931892 763371169 /nfs/dbraw/zinc/37/11/69/763371169.db2.gz IFHRCCZWBXYEMX-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027973 763621906 /nfs/dbraw/zinc/62/19/06/763621906.db2.gz LREHVAYJQCSLJP-ROUUACIJSA-N 2 1 332.492 0.733 20 30 ECEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027973 763621914 /nfs/dbraw/zinc/62/19/14/763621914.db2.gz LREHVAYJQCSLJP-ROUUACIJSA-N 2 1 332.492 0.733 20 30 ECEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036377 763649737 /nfs/dbraw/zinc/64/97/37/763649737.db2.gz NANQHOAQOZUNFI-QZTJIDSGSA-N 2 1 347.507 0.706 20 30 ECEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036377 763649739 /nfs/dbraw/zinc/64/97/39/763649739.db2.gz NANQHOAQOZUNFI-QZTJIDSGSA-N 2 1 347.507 0.706 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081615 763799493 /nfs/dbraw/zinc/79/94/93/763799493.db2.gz CUTQEHXXXZGOSI-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106339636 768165081 /nfs/dbraw/zinc/16/50/81/768165081.db2.gz WYXQQCAXDLADKY-ZIAGYGMSSA-N 2 1 337.468 0.041 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439538 764350202 /nfs/dbraw/zinc/35/02/02/764350202.db2.gz KHVDEVBDSOCGJC-IRXDYDNUSA-N 2 1 326.400 0.783 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001052457866 764542770 /nfs/dbraw/zinc/54/27/70/764542770.db2.gz WHIOUQLYMRFGKL-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC001052457866 764542771 /nfs/dbraw/zinc/54/27/71/764542771.db2.gz WHIOUQLYMRFGKL-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC001052457866 764542778 /nfs/dbraw/zinc/54/27/78/764542778.db2.gz WHIOUQLYMRFGKL-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC001052457866 764542784 /nfs/dbraw/zinc/54/27/84/764542784.db2.gz WHIOUQLYMRFGKL-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654548 765129092 /nfs/dbraw/zinc/12/90/92/765129092.db2.gz ZDSQCOSHGYUKFH-HZPDHXFCSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654548 765129096 /nfs/dbraw/zinc/12/90/96/765129096.db2.gz ZDSQCOSHGYUKFH-HZPDHXFCSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001052938500 765388227 /nfs/dbraw/zinc/38/82/27/765388227.db2.gz YRANJIWYHAEGBS-IRXDYDNUSA-N 2 1 348.491 0.840 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)CC1 ZINC001016337203 766144905 /nfs/dbraw/zinc/14/49/05/766144905.db2.gz PYGPXNBZSTVANC-KRWDZBQOSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ncn3)C2)CC1 ZINC001016337203 766144912 /nfs/dbraw/zinc/14/49/12/766144912.db2.gz PYGPXNBZSTVANC-KRWDZBQOSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046027255 766686194 /nfs/dbraw/zinc/68/61/94/766686194.db2.gz LOWITAUPJRZQIV-MOPGFXCFSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035216 766719629 /nfs/dbraw/zinc/71/96/29/766719629.db2.gz HHFUQWTTWRXYMB-IRXDYDNUSA-N 2 1 341.459 0.612 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035216 766719632 /nfs/dbraw/zinc/71/96/32/766719632.db2.gz HHFUQWTTWRXYMB-IRXDYDNUSA-N 2 1 341.459 0.612 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001046036202 766725143 /nfs/dbraw/zinc/72/51/43/766725143.db2.gz CNUVFHVXIRGYPE-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001046036202 766725148 /nfs/dbraw/zinc/72/51/48/766725148.db2.gz CNUVFHVXIRGYPE-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046036202 766725155 /nfs/dbraw/zinc/72/51/55/766725155.db2.gz CNUVFHVXIRGYPE-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046036202 766725159 /nfs/dbraw/zinc/72/51/59/766725159.db2.gz CNUVFHVXIRGYPE-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)CC1 ZINC000992515637 766755270 /nfs/dbraw/zinc/75/52/70/766755270.db2.gz ZGXWTSDJSBBIKM-QOKNQOGYSA-N 2 1 346.475 0.319 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044531 766767495 /nfs/dbraw/zinc/76/74/95/766767495.db2.gz YFGPSWZEVNUNEB-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044531 766767503 /nfs/dbraw/zinc/76/75/03/766767503.db2.gz YFGPSWZEVNUNEB-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001046055175 766805139 /nfs/dbraw/zinc/80/51/39/766805139.db2.gz UDLOTGTUTWGHSM-KRWDZBQOSA-N 2 1 344.459 0.807 20 30 ECEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297926 767183085 /nfs/dbraw/zinc/18/30/85/767183085.db2.gz PNISZSLTZSFUPU-KLHDSHLOSA-N 2 1 325.453 0.345 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297926 767183087 /nfs/dbraw/zinc/18/30/87/767183087.db2.gz PNISZSLTZSFUPU-KLHDSHLOSA-N 2 1 325.453 0.345 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297926 767183089 /nfs/dbraw/zinc/18/30/89/767183089.db2.gz PNISZSLTZSFUPU-KLHDSHLOSA-N 2 1 325.453 0.345 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780486 767683493 /nfs/dbraw/zinc/68/34/93/767683493.db2.gz WQZLYDJWFDTHOT-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055632373 769307513 /nfs/dbraw/zinc/30/75/13/769307513.db2.gz TUDYKKJVPPQLIF-CQSZACIVSA-N 2 1 337.468 0.185 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055644963 769333251 /nfs/dbraw/zinc/33/32/51/769333251.db2.gz KFFUTPUOGMCCHQ-GJZGRUSLSA-N 2 1 349.479 0.185 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018965161 770418532 /nfs/dbraw/zinc/41/85/32/770418532.db2.gz VFCKTGJBCBQBQE-KBPBESRZSA-N 2 1 325.844 0.756 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001019777872 771786129 /nfs/dbraw/zinc/78/61/29/771786129.db2.gz CIGODMBIFURMCZ-GJZGRUSLSA-N 2 1 331.420 0.169 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nccn3CC)C2)CC1 ZINC001019813396 771828098 /nfs/dbraw/zinc/82/80/98/771828098.db2.gz CWJODNQBOIGIHV-KRWDZBQOSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664364 775993785 /nfs/dbraw/zinc/99/37/85/775993785.db2.gz FXWMTPHXLQOPMT-IAGOWNOFSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664364 775993796 /nfs/dbraw/zinc/99/37/96/775993796.db2.gz FXWMTPHXLQOPMT-IAGOWNOFSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)C(N)=O)CC2 ZINC001040731081 783342853 /nfs/dbraw/zinc/34/28/53/783342853.db2.gz CZTUYFHHJCSQFC-HOTGVXAUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)C(N)=O)CC2 ZINC001040731081 783342864 /nfs/dbraw/zinc/34/28/64/783342864.db2.gz CZTUYFHHJCSQFC-HOTGVXAUSA-N 2 1 346.475 0.272 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207700 783658959 /nfs/dbraw/zinc/65/89/59/783658959.db2.gz JYRUVXIMACYSEP-ZACQAIPSSA-N 2 1 346.479 0.784 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258290 783755997 /nfs/dbraw/zinc/75/59/97/783755997.db2.gz NVQKYXBJMWFRBW-ZACQAIPSSA-N 2 1 344.463 0.375 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001070971577 784275371 /nfs/dbraw/zinc/27/53/71/784275371.db2.gz GXTGVVKRTDQGHL-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001070971577 784275378 /nfs/dbraw/zinc/27/53/78/784275378.db2.gz GXTGVVKRTDQGHL-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001070971577 784275387 /nfs/dbraw/zinc/27/53/87/784275387.db2.gz GXTGVVKRTDQGHL-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001070971577 784275391 /nfs/dbraw/zinc/27/53/91/784275391.db2.gz GXTGVVKRTDQGHL-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277114 784922642 /nfs/dbraw/zinc/92/26/42/784922642.db2.gz LDCGGKQAWBBOLE-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277114 784922644 /nfs/dbraw/zinc/92/26/44/784922644.db2.gz LDCGGKQAWBBOLE-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277114 784922650 /nfs/dbraw/zinc/92/26/50/784922650.db2.gz LDCGGKQAWBBOLE-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277114 784922658 /nfs/dbraw/zinc/92/26/58/784922658.db2.gz LDCGGKQAWBBOLE-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764857 787157541 /nfs/dbraw/zinc/15/75/41/787157541.db2.gz MMNIBLRJHANIDC-AEFFLSMTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764857 787157542 /nfs/dbraw/zinc/15/75/42/787157542.db2.gz MMNIBLRJHANIDC-AEFFLSMTSA-N 2 1 344.459 0.984 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896047 787465175 /nfs/dbraw/zinc/46/51/75/787465175.db2.gz JMSRDSGAQZAXDX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896047 787465177 /nfs/dbraw/zinc/46/51/77/787465177.db2.gz JMSRDSGAQZAXDX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896047 787465178 /nfs/dbraw/zinc/46/51/78/787465178.db2.gz JMSRDSGAQZAXDX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896047 787465180 /nfs/dbraw/zinc/46/51/80/787465180.db2.gz JMSRDSGAQZAXDX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCOC)CCCO2)CC1 ZINC001073898866 787472868 /nfs/dbraw/zinc/47/28/68/787472868.db2.gz DVFPGLVQNJVNOS-KRWDZBQOSA-N 2 1 337.464 0.185 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930409 790203354 /nfs/dbraw/zinc/20/33/54/790203354.db2.gz HUKNKKBWYBLZRA-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930409 790203355 /nfs/dbraw/zinc/20/33/55/790203355.db2.gz HUKNKKBWYBLZRA-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930409 790203356 /nfs/dbraw/zinc/20/33/56/790203356.db2.gz HUKNKKBWYBLZRA-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930409 790203357 /nfs/dbraw/zinc/20/33/57/790203357.db2.gz HUKNKKBWYBLZRA-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C[N@@H+](CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N)CC(C)(C)C ZINC001266483199 835882547 /nfs/dbraw/zinc/88/25/47/835882547.db2.gz QDUSPTQSBKHQFU-CQSZACIVSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897897 836449285 /nfs/dbraw/zinc/44/92/85/836449285.db2.gz QCPOAUGKCMBAPB-HZPDHXFCSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267046901 836674852 /nfs/dbraw/zinc/67/48/52/836674852.db2.gz FTSKFQDGJUFOBG-DLBZAZTESA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cnc(C)cn1 ZINC001267200079 836971489 /nfs/dbraw/zinc/97/14/89/836971489.db2.gz CXOMNJYEVSLZGH-WBVHZDCISA-N 2 1 329.448 0.992 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cnc(C)cn1 ZINC001267200079 836971503 /nfs/dbraw/zinc/97/15/03/836971503.db2.gz CXOMNJYEVSLZGH-WBVHZDCISA-N 2 1 329.448 0.992 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267926305 838803684 /nfs/dbraw/zinc/80/36/84/838803684.db2.gz YLCWIDVHDLZBQZ-KLHDSHLOSA-N 2 1 336.480 0.646 20 30 ECEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419839640 209221148 /nfs/dbraw/zinc/22/11/48/209221148.db2.gz QRONMDWFQVILQL-UHFFFAOYSA-N 2 1 343.431 0.058 20 30 ECEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419839640 209221151 /nfs/dbraw/zinc/22/11/51/209221151.db2.gz QRONMDWFQVILQL-UHFFFAOYSA-N 2 1 343.431 0.058 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2ccccn2)CC1 ZINC000088695003 436404773 /nfs/dbraw/zinc/40/47/73/436404773.db2.gz KIWKABORQMDYDD-MRXNPFEDSA-N 2 1 345.495 0.025 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nnc2n1CCCCC2 ZINC000104159094 436557649 /nfs/dbraw/zinc/55/76/49/436557649.db2.gz OEDMXOZINNJNAL-UHFFFAOYSA-N 2 1 349.483 0.174 20 30 ECEDMP COc1ccccc1[C@H](O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264125204 437016371 /nfs/dbraw/zinc/01/63/71/437016371.db2.gz WFVJRTFJBMWFPF-OAHLLOKOSA-N 2 1 336.436 0.355 20 30 ECEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264086183 437016551 /nfs/dbraw/zinc/01/65/51/437016551.db2.gz JHNJKYNYKCVARQ-OAHLLOKOSA-N 2 1 331.468 0.645 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OCCOC ZINC000264125198 437017581 /nfs/dbraw/zinc/01/75/81/437017581.db2.gz WFNABROOKYEPLP-OAHLLOKOSA-N 2 1 335.452 0.995 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CN(C(=O)OC(C)(C)C)C1 ZINC000304805836 437159631 /nfs/dbraw/zinc/15/96/31/437159631.db2.gz DAFCMINMHRRIOD-ZDUSSCGKSA-N 2 1 325.457 0.994 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000305768255 437164654 /nfs/dbraw/zinc/16/46/54/437164654.db2.gz ILGMZNYWSZUITH-OAHLLOKOSA-N 2 1 340.468 0.689 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1COC2(CCCCC2)O1 ZINC000305768253 437165506 /nfs/dbraw/zinc/16/55/06/437165506.db2.gz ILGMZNYWSZUITH-HNNXBMFYSA-N 2 1 340.468 0.689 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000339592286 437475772 /nfs/dbraw/zinc/47/57/72/437475772.db2.gz FHVCJLCWTHIDRH-HNNXBMFYSA-N 2 1 348.447 0.765 20 30 ECEDMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329994122 437443181 /nfs/dbraw/zinc/44/31/81/437443181.db2.gz ZCAPZQMMVWXZAT-OWCLPIDISA-N 2 1 325.501 0.999 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343757529 437646723 /nfs/dbraw/zinc/64/67/23/437646723.db2.gz GHELJHKKONIQIE-GOEBONIOSA-N 2 1 336.480 0.742 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000343928552 437700747 /nfs/dbraw/zinc/70/07/47/437700747.db2.gz VUWYQUVDYPXVFY-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971352 /nfs/dbraw/zinc/97/13/52/437971352.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971355 /nfs/dbraw/zinc/97/13/55/437971355.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000342117364 437971359 /nfs/dbraw/zinc/97/13/59/437971359.db2.gz AVFNSJMAVGQGFM-YHUYYLMFSA-N 2 1 336.432 0.757 20 30 ECEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352766522 438471986 /nfs/dbraw/zinc/47/19/86/438471986.db2.gz CUVQXXSGXBNOSS-AEFFLSMTSA-N 2 1 337.512 0.999 20 30 ECEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000569003508 439297820 /nfs/dbraw/zinc/29/78/20/439297820.db2.gz OCCJSNUZVAJQEZ-QZTJIDSGSA-N 2 1 347.459 0.929 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000491661990 439421850 /nfs/dbraw/zinc/42/18/50/439421850.db2.gz GKIRWLKSTJICRQ-IAGOWNOFSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[NH+]2CC)C1 ZINC000491661990 439421855 /nfs/dbraw/zinc/42/18/55/439421855.db2.gz GKIRWLKSTJICRQ-IAGOWNOFSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000491809304 439455743 /nfs/dbraw/zinc/45/57/43/439455743.db2.gz XPLUUFLQSKQYPM-UHFFFAOYSA-N 2 1 342.487 0.876 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000491809304 439455751 /nfs/dbraw/zinc/45/57/51/439455751.db2.gz XPLUUFLQSKQYPM-UHFFFAOYSA-N 2 1 342.487 0.876 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000491745275 439440674 /nfs/dbraw/zinc/44/06/74/439440674.db2.gz YEJNCAPYFIZXRC-UHFFFAOYSA-N 2 1 329.448 0.850 20 30 ECEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710991 439855307 /nfs/dbraw/zinc/85/53/07/439855307.db2.gz KPZGVHRJXXJESM-MAUKXSAKSA-N 2 1 336.480 0.744 20 30 ECEDMP NC(=O)C[NH+](CC#CC[N@@H+](CC(N)=O)C1CCCC1)C1CCCC1 ZINC000671240677 548112293 /nfs/dbraw/zinc/11/22/93/548112293.db2.gz JTVPMJJHEXMRKO-UHFFFAOYSA-N 2 1 334.464 0.450 20 30 ECEDMP NC(=O)C[NH+](CC#CC[N@H+](CC(N)=O)C1CCCC1)C1CCCC1 ZINC000671240677 548112296 /nfs/dbraw/zinc/11/22/96/548112296.db2.gz JTVPMJJHEXMRKO-UHFFFAOYSA-N 2 1 334.464 0.450 20 30 ECEDMP CN(CCO)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cc1 ZINC000731929010 578317714 /nfs/dbraw/zinc/31/77/14/578317714.db2.gz TXGDUXYNPCCFRR-UHFFFAOYSA-N 2 1 337.493 0.865 20 30 ECEDMP [NH2+]=C(NCCCCNc1ccccn1)NCCC[NH+]1CCOCC1 ZINC000104192055 586296510 /nfs/dbraw/zinc/29/65/10/586296510.db2.gz SEFLGMGTKFVCNG-UHFFFAOYSA-N 2 1 334.468 0.900 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C ZINC000900694171 586653699 /nfs/dbraw/zinc/65/36/99/586653699.db2.gz FZZHQYYAJRXIFO-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000900694171 586653701 /nfs/dbraw/zinc/65/37/01/586653701.db2.gz FZZHQYYAJRXIFO-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000900694171 586653703 /nfs/dbraw/zinc/65/37/03/586653703.db2.gz FZZHQYYAJRXIFO-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371927 589109357 /nfs/dbraw/zinc/10/93/57/589109357.db2.gz SMUHZXMPMZDTIL-QGZVFWFLSA-N 2 1 330.432 0.688 20 30 ECEDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371927 589109359 /nfs/dbraw/zinc/10/93/59/589109359.db2.gz SMUHZXMPMZDTIL-QGZVFWFLSA-N 2 1 330.432 0.688 20 30 ECEDMP N#Cc1cccnc1NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849058666 589318848 /nfs/dbraw/zinc/31/88/48/589318848.db2.gz NLWNXYSHHFQBDI-UHFFFAOYSA-N 2 1 331.424 0.201 20 30 ECEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000852913074 589525146 /nfs/dbraw/zinc/52/51/46/589525146.db2.gz MMMFYNNDNKQZSA-SFHVURJKSA-N 3 1 332.492 0.616 20 30 ECEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000852913074 589525148 /nfs/dbraw/zinc/52/51/48/589525148.db2.gz MMMFYNNDNKQZSA-SFHVURJKSA-N 3 1 332.492 0.616 20 30 ECEDMP C[C@@H]1C[N@H+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884183693 590765813 /nfs/dbraw/zinc/76/58/13/590765813.db2.gz UDUWZRFGZRKJLK-VFORCBIJSA-N 2 1 334.464 0.741 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925173799 611458744 /nfs/dbraw/zinc/45/87/44/611458744.db2.gz ZIHNKJCZFGBZQM-CVEARBPZSA-N 2 1 336.505 0.963 20 30 ECEDMP C#CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)C1CC[NH+](C)CC1 ZINC000927630613 611621037 /nfs/dbraw/zinc/62/10/37/611621037.db2.gz PINNKVUIDJNOBB-GOSISDBHSA-N 2 1 348.491 0.979 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910886028 609773994 /nfs/dbraw/zinc/77/39/94/609773994.db2.gz JEIBBLAXOSRWGB-NVXWUHKLSA-N 2 1 346.475 0.095 20 30 ECEDMP CC#CCN1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443372 610308477 /nfs/dbraw/zinc/30/84/77/610308477.db2.gz MJLIHTCMMZYFBS-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000941395498 610715837 /nfs/dbraw/zinc/71/58/37/610715837.db2.gz VLUVAXSHIHVZSW-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000941395498 610715838 /nfs/dbraw/zinc/71/58/38/610715838.db2.gz VLUVAXSHIHVZSW-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000941395498 610715839 /nfs/dbraw/zinc/71/58/39/610715839.db2.gz VLUVAXSHIHVZSW-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000941395498 610715840 /nfs/dbraw/zinc/71/58/40/610715840.db2.gz VLUVAXSHIHVZSW-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083128852 611071440 /nfs/dbraw/zinc/07/14/40/611071440.db2.gz TYIKXRRXMGVQDL-CQSZACIVSA-N 2 1 345.495 0.949 20 30 ECEDMP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083128852 611071442 /nfs/dbraw/zinc/07/14/42/611071442.db2.gz TYIKXRRXMGVQDL-CQSZACIVSA-N 2 1 345.495 0.949 20 30 ECEDMP C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083125553 611072288 /nfs/dbraw/zinc/07/22/88/611072288.db2.gz VARSAVYXLODZMX-CYBMUJFWSA-N 2 1 331.468 0.906 20 30 ECEDMP C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083125553 611072290 /nfs/dbraw/zinc/07/22/90/611072290.db2.gz VARSAVYXLODZMX-CYBMUJFWSA-N 2 1 331.468 0.906 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946894761 611236271 /nfs/dbraw/zinc/23/62/71/611236271.db2.gz GSEWACUBPCRZMS-KURKYZTESA-N 2 1 333.476 0.758 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC000949142195 611872475 /nfs/dbraw/zinc/87/24/75/611872475.db2.gz WAZLUYUTOQXCKN-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954630747 612468541 /nfs/dbraw/zinc/46/85/41/612468541.db2.gz IJCLFCAWFOUJLO-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000954630747 612468542 /nfs/dbraw/zinc/46/85/42/612468542.db2.gz IJCLFCAWFOUJLO-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954630747 612468543 /nfs/dbraw/zinc/46/85/43/612468543.db2.gz IJCLFCAWFOUJLO-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000954630747 612468544 /nfs/dbraw/zinc/46/85/44/612468544.db2.gz IJCLFCAWFOUJLO-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000954630747 612468546 /nfs/dbraw/zinc/46/85/46/612468546.db2.gz IJCLFCAWFOUJLO-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561281 735485268 /nfs/dbraw/zinc/48/52/68/735485268.db2.gz ZQMZQPSNBJVIHF-INIZCTEOSA-N 2 1 339.480 0.426 20 30 ECEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561281 735485271 /nfs/dbraw/zinc/48/52/71/735485271.db2.gz ZQMZQPSNBJVIHF-INIZCTEOSA-N 2 1 339.480 0.426 20 30 ECEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561281 735485273 /nfs/dbraw/zinc/48/52/73/735485273.db2.gz ZQMZQPSNBJVIHF-INIZCTEOSA-N 2 1 339.480 0.426 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=O)NC)CC1 ZINC000969155998 731536164 /nfs/dbraw/zinc/53/61/64/731536164.db2.gz GWYZLJGDTZWWOI-KRWDZBQOSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=O)NC)CC1 ZINC000969155998 731536167 /nfs/dbraw/zinc/53/61/67/731536167.db2.gz GWYZLJGDTZWWOI-KRWDZBQOSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000969686323 732047818 /nfs/dbraw/zinc/04/78/18/732047818.db2.gz AMPYMHQQADVQBZ-QGTPRVQTSA-N 2 1 333.476 0.803 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225706 733069570 /nfs/dbraw/zinc/06/95/70/733069570.db2.gz XZHBOMMICHWAJB-HNNXBMFYSA-N 2 1 336.480 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@@H](C)O)C3)C2)CC1 ZINC001041844998 782327022 /nfs/dbraw/zinc/32/70/22/782327022.db2.gz RHFVXACGFSJNQM-APWZRJJASA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CCOC)CCO2 ZINC000972415886 736156430 /nfs/dbraw/zinc/15/64/30/736156430.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CCOC)CCO2 ZINC000972415886 736156433 /nfs/dbraw/zinc/15/64/33/736156433.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)CCO1)C[C@H](C)O2 ZINC001098577373 736914339 /nfs/dbraw/zinc/91/43/39/736914339.db2.gz CTTDLOQVFDBRIC-HOTGVXAUSA-N 2 1 335.448 0.032 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098578550 737075587 /nfs/dbraw/zinc/07/55/87/737075587.db2.gz XGASZCDRFYVUPY-IRXDYDNUSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098578550 737075591 /nfs/dbraw/zinc/07/55/91/737075591.db2.gz XGASZCDRFYVUPY-IRXDYDNUSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001023759500 737319562 /nfs/dbraw/zinc/31/95/62/737319562.db2.gz GLHQUTLZMBXWGQ-WBVHZDCISA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001024021988 737626753 /nfs/dbraw/zinc/62/67/53/737626753.db2.gz NUTYKFGVPSIDAY-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001024021988 737626769 /nfs/dbraw/zinc/62/67/69/737626769.db2.gz NUTYKFGVPSIDAY-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001025629060 739793191 /nfs/dbraw/zinc/79/31/91/739793191.db2.gz ZOYNEQAZXNCWMK-DOTOQJQBSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001025814105 739997332 /nfs/dbraw/zinc/99/73/32/739997332.db2.gz UZEBJSLKNXEATL-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001025814105 739997334 /nfs/dbraw/zinc/99/73/34/739997334.db2.gz UZEBJSLKNXEATL-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001025814105 739997337 /nfs/dbraw/zinc/99/73/37/739997337.db2.gz UZEBJSLKNXEATL-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001025814105 739997338 /nfs/dbraw/zinc/99/73/38/739997338.db2.gz UZEBJSLKNXEATL-IECFSIQFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000974265587 741197333 /nfs/dbraw/zinc/19/73/33/741197333.db2.gz PRSAOHWMDLFKQF-NXOAAHMSSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000974265587 741197336 /nfs/dbraw/zinc/19/73/36/741197336.db2.gz PRSAOHWMDLFKQF-NXOAAHMSSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000974265587 741197339 /nfs/dbraw/zinc/19/73/39/741197339.db2.gz PRSAOHWMDLFKQF-NXOAAHMSSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000974265587 741197342 /nfs/dbraw/zinc/19/73/42/741197342.db2.gz PRSAOHWMDLFKQF-NXOAAHMSSA-N 2 1 346.475 0.332 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150772 751657430 /nfs/dbraw/zinc/65/74/30/751657430.db2.gz UUUFSRMDOWKHOT-QGZVFWFLSA-N 2 1 333.476 0.902 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749032 741758836 /nfs/dbraw/zinc/75/88/36/741758836.db2.gz AAMWXELTAQHPLF-QAPCUYQASA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749032 741758838 /nfs/dbraw/zinc/75/88/38/741758838.db2.gz AAMWXELTAQHPLF-QAPCUYQASA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749449 741759322 /nfs/dbraw/zinc/75/93/22/741759322.db2.gz ISHKDWNLAVPWLK-CZUORRHYSA-N 2 1 348.472 0.888 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749449 741759325 /nfs/dbraw/zinc/75/93/25/741759325.db2.gz ISHKDWNLAVPWLK-CZUORRHYSA-N 2 1 348.472 0.888 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001026889505 742029298 /nfs/dbraw/zinc/02/92/98/742029298.db2.gz XKGKSMNPLQDQKM-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC001026894195 742040581 /nfs/dbraw/zinc/04/05/81/742040581.db2.gz XHNDXXBYAWHBEC-IRXDYDNUSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC001026894195 742040588 /nfs/dbraw/zinc/04/05/88/742040588.db2.gz XHNDXXBYAWHBEC-IRXDYDNUSA-N 2 1 341.459 0.821 20 30 ECEDMP Cc1[nH+]ccn1CC(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996803958 742893886 /nfs/dbraw/zinc/89/38/86/742893886.db2.gz VMMHGUWQIQALFT-UHFFFAOYSA-N 2 1 344.463 0.760 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997183262 743324868 /nfs/dbraw/zinc/32/48/68/743324868.db2.gz JCSFKSOQBIKZTM-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnsn3)CC2)CC1 ZINC000997365442 743536939 /nfs/dbraw/zinc/53/69/39/743536939.db2.gz VIJWGIDIXXQDQF-UHFFFAOYSA-N 2 1 347.488 0.964 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000998927112 744409711 /nfs/dbraw/zinc/40/97/11/744409711.db2.gz BKXWUAPJNFIOQW-VJFUWPCTSA-N 2 1 341.459 0.962 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000998927112 744409712 /nfs/dbraw/zinc/40/97/12/744409712.db2.gz BKXWUAPJNFIOQW-VJFUWPCTSA-N 2 1 341.459 0.962 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000999835105 744929920 /nfs/dbraw/zinc/92/99/20/744929920.db2.gz DUUDEXBXDCKGHB-UYSNPLJNSA-N 2 1 345.447 0.557 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360625 751976643 /nfs/dbraw/zinc/97/66/43/751976643.db2.gz CUQBZJVFPKZFQN-UHFFFAOYSA-N 2 1 330.436 0.423 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987402 745142026 /nfs/dbraw/zinc/14/20/26/745142026.db2.gz NUVBUVNUKULXTA-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987402 745142030 /nfs/dbraw/zinc/14/20/30/745142030.db2.gz NUVBUVNUKULXTA-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987402 745142032 /nfs/dbraw/zinc/14/20/32/745142032.db2.gz NUVBUVNUKULXTA-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccc4c[nH+]cn4c3)nn2)C1 ZINC001000004424 745170724 /nfs/dbraw/zinc/17/07/24/745170724.db2.gz TXHQVCLLGPSORM-QGZVFWFLSA-N 2 1 349.398 0.736 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC001000992958 745958290 /nfs/dbraw/zinc/95/82/90/745958290.db2.gz ORFXJUJROWFCRD-MRXNPFEDSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001001494479 746432469 /nfs/dbraw/zinc/43/24/69/746432469.db2.gz UEVIMSXLKABLOC-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001001494479 746432472 /nfs/dbraw/zinc/43/24/72/746432472.db2.gz UEVIMSXLKABLOC-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C2)CC1 ZINC001027694427 746862828 /nfs/dbraw/zinc/86/28/28/746862828.db2.gz YEIRXVCXDYUVKN-GOEBONIOSA-N 2 1 334.464 0.128 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000978954472 746949820 /nfs/dbraw/zinc/94/98/20/746949820.db2.gz UREMCBLGKCTTBC-BBWFWOEESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000978954472 746949825 /nfs/dbraw/zinc/94/98/25/746949825.db2.gz UREMCBLGKCTTBC-BBWFWOEESA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125368 747006242 /nfs/dbraw/zinc/00/62/42/747006242.db2.gz JJQIWNQALOAPBB-DLBZAZTESA-N 2 1 348.491 0.553 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473357 747402506 /nfs/dbraw/zinc/40/25/06/747402506.db2.gz DZAFRJCQOAUAOM-CVEARBPZSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202274 747735724 /nfs/dbraw/zinc/73/57/24/747735724.db2.gz SFTUCKMODUOPRB-KURKYZTESA-N 2 1 333.476 0.758 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)C1 ZINC001029758191 748270497 /nfs/dbraw/zinc/27/04/97/748270497.db2.gz UMQLRPOXZSONPQ-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn(C)c2)C1 ZINC001029758191 748270499 /nfs/dbraw/zinc/27/04/99/748270499.db2.gz UMQLRPOXZSONPQ-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn(C)c2)C1 ZINC001029758191 748270501 /nfs/dbraw/zinc/27/05/01/748270501.db2.gz UMQLRPOXZSONPQ-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnn(C)c2)C1 ZINC001029758191 748270505 /nfs/dbraw/zinc/27/05/05/748270505.db2.gz UMQLRPOXZSONPQ-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnn(C)c2)C1 ZINC001029758191 748270509 /nfs/dbraw/zinc/27/05/09/748270509.db2.gz UMQLRPOXZSONPQ-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167836324 750514803 /nfs/dbraw/zinc/51/48/03/750514803.db2.gz UDEPUPCHAVQGBQ-HNNXBMFYSA-N 2 1 336.480 0.342 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000981332582 750591368 /nfs/dbraw/zinc/59/13/68/750591368.db2.gz CCFPZJNITUDMHM-DLBZAZTESA-N 2 1 348.491 0.648 20 30 ECEDMP CC[NH+]=C(NCc1cnn(C)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261711043 752695684 /nfs/dbraw/zinc/69/56/84/752695684.db2.gz KBAXKXGWUGOAFD-HNNXBMFYSA-N 2 1 334.468 0.540 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625593 755084064 /nfs/dbraw/zinc/08/40/64/755084064.db2.gz FONRNUHSWLYQFN-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625593 755084067 /nfs/dbraw/zinc/08/40/67/755084067.db2.gz FONRNUHSWLYQFN-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672648 755786088 /nfs/dbraw/zinc/78/60/88/755786088.db2.gz CHTBPPGVPFTCAN-ZAWLATJESA-N 2 1 335.492 0.926 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860737 757207982 /nfs/dbraw/zinc/20/79/82/757207982.db2.gz CFPCDVCKHJVNAV-BBWFWOEESA-N 2 1 331.464 0.780 20 30 ECEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860737 757207988 /nfs/dbraw/zinc/20/79/88/757207988.db2.gz CFPCDVCKHJVNAV-BBWFWOEESA-N 2 1 331.464 0.780 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107206528 757721545 /nfs/dbraw/zinc/72/15/45/757721545.db2.gz NCLYGIQEAPNFHB-MRXNPFEDSA-N 2 1 334.468 0.913 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CCO)CC[C@@H]32)CC1 ZINC001021738707 757887432 /nfs/dbraw/zinc/88/74/32/757887432.db2.gz CVDGVNHFSIXPGZ-MSOLQXFVSA-N 2 1 333.476 0.637 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229101 757990188 /nfs/dbraw/zinc/99/01/88/757990188.db2.gz CEMBGPTVUFJVLQ-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229101 757990193 /nfs/dbraw/zinc/99/01/93/757990193.db2.gz CEMBGPTVUFJVLQ-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC001022715725 759029319 /nfs/dbraw/zinc/02/93/19/759029319.db2.gz LAEWNBUMBFORSR-JONQDZQNSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255782 768022985 /nfs/dbraw/zinc/02/29/85/768022985.db2.gz IPLNEDNCLUJSKB-BZUAXINKSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001051254785 761775630 /nfs/dbraw/zinc/77/56/30/761775630.db2.gz LUKXKUIXZQJREL-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001051254785 761775636 /nfs/dbraw/zinc/77/56/36/761775636.db2.gz LUKXKUIXZQJREL-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1=O ZINC001127674862 763282310 /nfs/dbraw/zinc/28/23/10/763282310.db2.gz MNFXWQGIYLVLBY-CABCVRRESA-N 2 1 347.463 0.889 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCC1(F)F ZINC001046947651 763439001 /nfs/dbraw/zinc/43/90/01/763439001.db2.gz VHVFWRIVWFSBNV-CABCVRRESA-N 2 1 343.418 0.540 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCC1(F)F ZINC001046947651 763439003 /nfs/dbraw/zinc/43/90/03/763439003.db2.gz VHVFWRIVWFSBNV-CABCVRRESA-N 2 1 343.418 0.540 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCC1(F)F ZINC001046947651 763439006 /nfs/dbraw/zinc/43/90/06/763439006.db2.gz VHVFWRIVWFSBNV-CABCVRRESA-N 2 1 343.418 0.540 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCC1(F)F ZINC001046947651 763439007 /nfs/dbraw/zinc/43/90/07/763439007.db2.gz VHVFWRIVWFSBNV-CABCVRRESA-N 2 1 343.418 0.540 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035602 763643848 /nfs/dbraw/zinc/64/38/48/763643848.db2.gz FFTTYURPOKMBKV-RBUKOAKNSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035602 763643852 /nfs/dbraw/zinc/64/38/52/763643852.db2.gz FFTTYURPOKMBKV-RBUKOAKNSA-N 2 1 346.519 0.816 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047502393 764530545 /nfs/dbraw/zinc/53/05/45/764530545.db2.gz LTMLBCMMGUTVMF-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047502393 764530554 /nfs/dbraw/zinc/53/05/54/764530554.db2.gz LTMLBCMMGUTVMF-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052457841 764542539 /nfs/dbraw/zinc/54/25/39/764542539.db2.gz WEBKXXQYCIYVIF-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001052457841 764542545 /nfs/dbraw/zinc/54/25/45/764542545.db2.gz WEBKXXQYCIYVIF-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)N2CCC2)CC1 ZINC001052457841 764542553 /nfs/dbraw/zinc/54/25/53/764542553.db2.gz WEBKXXQYCIYVIF-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)N2CCC2)CC1 ZINC001052457841 764542562 /nfs/dbraw/zinc/54/25/62/764542562.db2.gz WEBKXXQYCIYVIF-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089875070 764601143 /nfs/dbraw/zinc/60/11/43/764601143.db2.gz LAOCYEBDYZYRQO-XSLAGTTESA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089875070 764601151 /nfs/dbraw/zinc/60/11/51/764601151.db2.gz LAOCYEBDYZYRQO-XSLAGTTESA-N 2 1 331.460 0.511 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875557 764609947 /nfs/dbraw/zinc/60/99/47/764609947.db2.gz MVZULCVRFMFPMR-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875557 764609951 /nfs/dbraw/zinc/60/99/51/764609951.db2.gz MVZULCVRFMFPMR-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626531 764920310 /nfs/dbraw/zinc/92/03/10/764920310.db2.gz DKRMMEZENMUVOX-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626531 764920316 /nfs/dbraw/zinc/92/03/16/764920316.db2.gz DKRMMEZENMUVOX-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626531 764920323 /nfs/dbraw/zinc/92/03/23/764920323.db2.gz DKRMMEZENMUVOX-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047626531 764920329 /nfs/dbraw/zinc/92/03/29/764920329.db2.gz DKRMMEZENMUVOX-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004562 765703550 /nfs/dbraw/zinc/70/35/50/765703550.db2.gz ZAYYJBJUFBZPJJ-CABCVRRESA-N 2 1 332.448 0.060 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004562 765703560 /nfs/dbraw/zinc/70/35/60/765703560.db2.gz ZAYYJBJUFBZPJJ-CABCVRRESA-N 2 1 332.448 0.060 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043488 766762353 /nfs/dbraw/zinc/76/23/53/766762353.db2.gz GYYTYGCACUYONA-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043488 766762357 /nfs/dbraw/zinc/76/23/57/766762357.db2.gz GYYTYGCACUYONA-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069757 766869493 /nfs/dbraw/zinc/86/94/93/766869493.db2.gz IOIUYCMQYAIACR-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106581418 768460786 /nfs/dbraw/zinc/46/07/86/768460786.db2.gz CBPPJYSBBKSKTB-FXUDXRNXSA-N 2 1 349.479 0.041 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001018663431 769733500 /nfs/dbraw/zinc/73/35/00/769733500.db2.gz BUCODZPUWFXLEZ-DLBZAZTESA-N 2 1 328.416 0.579 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001018663431 769733510 /nfs/dbraw/zinc/73/35/10/769733510.db2.gz BUCODZPUWFXLEZ-DLBZAZTESA-N 2 1 328.416 0.579 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001018972969 770437261 /nfs/dbraw/zinc/43/72/61/770437261.db2.gz YWMOJTIJZRZZTM-HOCLYGCPSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nc(CC)no2)C1 ZINC001018985426 770482431 /nfs/dbraw/zinc/48/24/31/770482431.db2.gz RWTXPFCECMHZTP-ILXRZTDVSA-N 2 1 345.447 0.981 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@H](C)c2nc(CC)no2)C1 ZINC001018985426 770482433 /nfs/dbraw/zinc/48/24/33/770482433.db2.gz RWTXPFCECMHZTP-ILXRZTDVSA-N 2 1 345.447 0.981 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2snnc2C)C1 ZINC001018985711 770483993 /nfs/dbraw/zinc/48/39/93/770483993.db2.gz AIPMUFPNDPJDDM-KBPBESRZSA-N 2 1 333.461 0.635 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2snnc2C)C1 ZINC001018985711 770483997 /nfs/dbraw/zinc/48/39/97/770483997.db2.gz AIPMUFPNDPJDDM-KBPBESRZSA-N 2 1 333.461 0.635 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001018986059 770485106 /nfs/dbraw/zinc/48/51/06/770485106.db2.gz QDZSNGLBFOFWEC-ROUUACIJSA-N 2 1 343.475 0.734 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001018986059 770485111 /nfs/dbraw/zinc/48/51/11/770485111.db2.gz QDZSNGLBFOFWEC-ROUUACIJSA-N 2 1 343.475 0.734 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H](OC)C3CCC3)C2)CC1 ZINC001031435031 771069258 /nfs/dbraw/zinc/06/92/58/771069258.db2.gz NPDNGBSFYSDCHB-SFHVURJKSA-N 2 1 333.476 0.947 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001020174942 772243439 /nfs/dbraw/zinc/24/34/39/772243439.db2.gz ZUGUVGICROVSIO-SMLCLMEVSA-N 2 1 348.491 0.740 20 30 ECEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506664 775713023 /nfs/dbraw/zinc/71/30/23/775713023.db2.gz WQNDGFJSTFYRII-KOHRHEQBSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506665 775713256 /nfs/dbraw/zinc/71/32/56/775713256.db2.gz WQNDGFJSTFYRII-WUJZJPHMSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227429 780898577 /nfs/dbraw/zinc/89/85/77/780898577.db2.gz TUCOSDUSRIZJBE-GVDBMIGSSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001040731530 783343760 /nfs/dbraw/zinc/34/37/60/783343760.db2.gz MJGCLCGUHKEJNR-IRXDYDNUSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001040731530 783343770 /nfs/dbraw/zinc/34/37/70/783343770.db2.gz MJGCLCGUHKEJNR-IRXDYDNUSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001040779390 783424273 /nfs/dbraw/zinc/42/42/73/783424273.db2.gz HZKKESLIAIEHHF-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070399282 783965914 /nfs/dbraw/zinc/96/59/14/783965914.db2.gz IFDXGPOKOBAYQZ-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070399282 783965927 /nfs/dbraw/zinc/96/59/27/783965927.db2.gz IFDXGPOKOBAYQZ-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001070399282 783965934 /nfs/dbraw/zinc/96/59/34/783965934.db2.gz IFDXGPOKOBAYQZ-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001070921556 784118825 /nfs/dbraw/zinc/11/88/25/784118825.db2.gz DCKCRRLKIGUOKI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001070921556 784118827 /nfs/dbraw/zinc/11/88/27/784118827.db2.gz DCKCRRLKIGUOKI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001070921556 784118832 /nfs/dbraw/zinc/11/88/32/784118832.db2.gz DCKCRRLKIGUOKI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001070921556 784118847 /nfs/dbraw/zinc/11/88/47/784118847.db2.gz DCKCRRLKIGUOKI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071015486 784421512 /nfs/dbraw/zinc/42/15/12/784421512.db2.gz GXMDIWRNENLFDF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001071015486 784421519 /nfs/dbraw/zinc/42/15/19/784421519.db2.gz GXMDIWRNENLFDF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001071015486 784421523 /nfs/dbraw/zinc/42/15/23/784421523.db2.gz GXMDIWRNENLFDF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C)C1 ZINC001070656415 784508849 /nfs/dbraw/zinc/50/88/49/784508849.db2.gz FCCDSDGGCGDQLS-ZACQAIPSSA-N 2 1 341.459 0.588 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C)C1 ZINC001070656415 784508852 /nfs/dbraw/zinc/50/88/52/784508852.db2.gz FCCDSDGGCGDQLS-ZACQAIPSSA-N 2 1 341.459 0.588 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267568385 837791210 /nfs/dbraw/zinc/79/12/10/837791210.db2.gz UESCPKPPTSMEEG-MRXNPFEDSA-N 2 1 331.464 0.910 20 30 ECEDMP C=CCOCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267576227 837829335 /nfs/dbraw/zinc/82/93/35/837829335.db2.gz UIDHAPFELQTKLL-QGZVFWFLSA-N 2 1 338.496 0.217 20 30 ECEDMP C=CCNC(=O)CN(CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417571 835822441 /nfs/dbraw/zinc/82/24/41/835822441.db2.gz BTUYXOWXWDZKHD-HNNXBMFYSA-N 2 1 347.463 0.494 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266551096 835975815 /nfs/dbraw/zinc/97/58/15/835975815.db2.gz LEUJMNJISKNRDW-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001266551096 835975821 /nfs/dbraw/zinc/97/58/21/835975821.db2.gz LEUJMNJISKNRDW-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001266551096 835975832 /nfs/dbraw/zinc/97/58/32/835975832.db2.gz LEUJMNJISKNRDW-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001266916970 836475463 /nfs/dbraw/zinc/47/54/63/836475463.db2.gz MCRVETSSULNQEN-JCYILVPMSA-N 2 1 339.480 0.927 20 30 ECEDMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266916970 836475468 /nfs/dbraw/zinc/47/54/68/836475468.db2.gz MCRVETSSULNQEN-JCYILVPMSA-N 2 1 339.480 0.927 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267634872 838104703 /nfs/dbraw/zinc/10/47/03/838104703.db2.gz SXJOBTHMJXYIIE-IRXDYDNUSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267634872 838104706 /nfs/dbraw/zinc/10/47/06/838104706.db2.gz SXJOBTHMJXYIIE-IRXDYDNUSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001268045682 839209602 /nfs/dbraw/zinc/20/96/02/839209602.db2.gz FXDPJIDUQBUCCR-MRXNPFEDSA-N 2 1 348.491 0.391 20 30 ECEDMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1 ZINC000264151991 254514321 /nfs/dbraw/zinc/51/43/21/254514321.db2.gz ZLNABSWFSISJLY-UHFFFAOYSA-N 2 1 331.464 0.581 20 30 ECEDMP CSc1nnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000275498941 254542554 /nfs/dbraw/zinc/54/25/54/254542554.db2.gz BTCUNMRSRILQQN-UHFFFAOYSA-N 2 1 330.483 0.387 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000491671151 254926662 /nfs/dbraw/zinc/92/66/62/254926662.db2.gz RRRJLYBIGUOGAW-UHFFFAOYSA-N 2 1 328.416 0.342 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000113999639 436639522 /nfs/dbraw/zinc/63/95/22/436639522.db2.gz ZLMNUWWHJDWRPM-AWEZNQCLSA-N 2 1 333.436 0.707 20 30 ECEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000134102088 436892101 /nfs/dbraw/zinc/89/21/01/436892101.db2.gz ISVAPSRZOPSWSC-NSHDSACASA-N 2 1 336.465 0.809 20 30 ECEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000134102088 436892105 /nfs/dbraw/zinc/89/21/05/436892105.db2.gz ISVAPSRZOPSWSC-NSHDSACASA-N 2 1 336.465 0.809 20 30 ECEDMP COc1ccccc1[C@@H](O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264125202 437016469 /nfs/dbraw/zinc/01/64/69/437016469.db2.gz WFVJRTFJBMWFPF-HNNXBMFYSA-N 2 1 336.436 0.355 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(N)(=O)=O)c1 ZINC000264075577 437015242 /nfs/dbraw/zinc/01/52/42/437015242.db2.gz FONYXQOWOLFVAH-CYBMUJFWSA-N 2 1 339.465 0.223 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174893129 437089337 /nfs/dbraw/zinc/08/93/37/437089337.db2.gz JAIYWDQPPRVMPA-IRXDYDNUSA-N 2 1 335.496 0.849 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174893129 437089341 /nfs/dbraw/zinc/08/93/41/437089341.db2.gz JAIYWDQPPRVMPA-IRXDYDNUSA-N 2 1 335.496 0.849 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000265000003 437101638 /nfs/dbraw/zinc/10/16/38/437101638.db2.gz VGKBDFVAOUGRCA-UHFFFAOYSA-N 2 1 345.491 0.542 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000265000003 437101644 /nfs/dbraw/zinc/10/16/44/437101644.db2.gz VGKBDFVAOUGRCA-UHFFFAOYSA-N 2 1 345.491 0.542 20 30 ECEDMP C=CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267411998 437327966 /nfs/dbraw/zinc/32/79/66/437327966.db2.gz INKKRSRGNOHADU-MRXNPFEDSA-N 2 1 329.448 0.974 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000343795025 437660797 /nfs/dbraw/zinc/66/07/97/437660797.db2.gz WDGHZWHIGACUDV-HNNXBMFYSA-N 2 1 336.480 0.553 20 30 ECEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000331296420 437736033 /nfs/dbraw/zinc/73/60/33/437736033.db2.gz NBDCAUBMHQPLBL-UYSNPLJNSA-N 2 1 325.501 0.856 20 30 ECEDMP CN1CCC([N@@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666493 438288145 /nfs/dbraw/zinc/28/81/45/438288145.db2.gz SFPKMHJHBCJEKK-CYBMUJFWSA-N 2 1 330.392 1.442 20 30 ECEDMP COC(=O)[C@@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373439 438252843 /nfs/dbraw/zinc/25/28/43/438252843.db2.gz MHOYMHFTNRDYOC-ROUUACIJSA-N 2 1 336.432 0.760 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369273830 438446179 /nfs/dbraw/zinc/44/61/79/438446179.db2.gz JXGZDPKEYHWKBU-KRWDZBQOSA-N 2 1 332.492 0.616 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369273830 438446184 /nfs/dbraw/zinc/44/61/84/438446184.db2.gz JXGZDPKEYHWKBU-KRWDZBQOSA-N 2 1 332.492 0.616 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNc1ccc(C#N)cn1 ZINC000597941406 439201587 /nfs/dbraw/zinc/20/15/87/439201587.db2.gz AIUCNKNHAYRBHM-AWEZNQCLSA-N 2 1 332.452 0.753 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNc1ccc(C#N)cn1 ZINC000597941406 439201592 /nfs/dbraw/zinc/20/15/92/439201592.db2.gz AIUCNKNHAYRBHM-AWEZNQCLSA-N 2 1 332.452 0.753 20 30 ECEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000598601269 439284300 /nfs/dbraw/zinc/28/43/00/439284300.db2.gz RZSXGZXXSUCOMS-OAHLLOKOSA-N 2 1 325.453 0.446 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491813229 439457520 /nfs/dbraw/zinc/45/75/20/439457520.db2.gz GSALIRXSNQXEPG-SFHVURJKSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000491815755 439458924 /nfs/dbraw/zinc/45/89/24/439458924.db2.gz LOAYYWSSVHUDEH-IAGOWNOFSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000491815755 439458929 /nfs/dbraw/zinc/45/89/29/439458929.db2.gz LOAYYWSSVHUDEH-IAGOWNOFSA-N 2 1 336.480 0.884 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656310685 440761306 /nfs/dbraw/zinc/76/13/06/440761306.db2.gz CWPLGJJMZARFRE-DLBZAZTESA-N 2 1 348.491 0.886 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000668835453 547761746 /nfs/dbraw/zinc/76/17/46/547761746.db2.gz ATPUWBHMCWGFIK-MRXNPFEDSA-N 2 1 336.480 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769313553 579142634 /nfs/dbraw/zinc/14/26/34/579142634.db2.gz HIRFJDWMIDPWNB-OKZBNKHCSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769313553 579142635 /nfs/dbraw/zinc/14/26/35/579142635.db2.gz HIRFJDWMIDPWNB-OKZBNKHCSA-N 2 1 333.476 0.968 20 30 ECEDMP C=C(C)CN(CC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903714075 586803442 /nfs/dbraw/zinc/80/34/42/586803442.db2.gz MCBRQQZWOWMRJE-CALCHBBNSA-N 2 1 348.491 0.838 20 30 ECEDMP C=C(C)CN(CC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903714075 586803444 /nfs/dbraw/zinc/80/34/44/586803444.db2.gz MCBRQQZWOWMRJE-CALCHBBNSA-N 2 1 348.491 0.838 20 30 ECEDMP COCC[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876727775 590404803 /nfs/dbraw/zinc/40/48/03/590404803.db2.gz BXVZFMYLBHXMAL-KRWDZBQOSA-N 2 1 330.432 0.830 20 30 ECEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000876748945 590408545 /nfs/dbraw/zinc/40/85/45/590408545.db2.gz JHEPLEYCWBYDOR-STQMWFEESA-N 2 1 330.860 0.515 20 30 ECEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000876748943 590408930 /nfs/dbraw/zinc/40/89/30/590408930.db2.gz JHEPLEYCWBYDOR-QWHCGFSZSA-N 2 1 330.860 0.515 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000878744634 590539485 /nfs/dbraw/zinc/53/94/85/590539485.db2.gz VZGNZXRBXMPJEC-UHFFFAOYSA-N 2 1 341.459 0.371 20 30 ECEDMP C#CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000929959330 611372337 /nfs/dbraw/zinc/37/23/37/611372337.db2.gz MFRKZWYAUAIUSL-AWEZNQCLSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000947251444 608946375 /nfs/dbraw/zinc/94/63/75/608946375.db2.gz NAGZCCPKNQBBBE-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000947251444 608946379 /nfs/dbraw/zinc/94/63/79/608946379.db2.gz NAGZCCPKNQBBBE-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000948630722 611672718 /nfs/dbraw/zinc/67/27/18/611672718.db2.gz BKSSVCGPEYWXIF-ISXWCOSWSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630722 611672721 /nfs/dbraw/zinc/67/27/21/611672721.db2.gz BKSSVCGPEYWXIF-ISXWCOSWSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630722 611672723 /nfs/dbraw/zinc/67/27/23/611672723.db2.gz BKSSVCGPEYWXIF-ISXWCOSWSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[NH+](CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000910885261 609773200 /nfs/dbraw/zinc/77/32/00/609773200.db2.gz KBOWUZKCVDUTNB-UHFFFAOYSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000910886568 609773935 /nfs/dbraw/zinc/77/39/35/609773935.db2.gz NRGYLLNJXXWJOA-UHFFFAOYSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941531601 610363169 /nfs/dbraw/zinc/36/31/69/610363169.db2.gz AKWATDCGGBGIQD-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531601 610363171 /nfs/dbraw/zinc/36/31/71/610363171.db2.gz AKWATDCGGBGIQD-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941237054 610621011 /nfs/dbraw/zinc/62/10/11/610621011.db2.gz GQNROICIISFBKL-QGZVFWFLSA-N 2 1 335.492 0.931 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000941238154 610622231 /nfs/dbraw/zinc/62/22/31/610622231.db2.gz VRYHYCWLJBJWRL-PMPSAXMXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000941238154 610622232 /nfs/dbraw/zinc/62/22/32/610622232.db2.gz VRYHYCWLJBJWRL-PMPSAXMXSA-N 2 1 334.464 0.141 20 30 ECEDMP CC#CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408361 610722449 /nfs/dbraw/zinc/72/24/49/610722449.db2.gz CEAQNXUZDCLATR-ZWKOTPCHSA-N 2 1 344.503 0.713 20 30 ECEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471000 611991755 /nfs/dbraw/zinc/99/17/55/611991755.db2.gz NNRVZSSTXVXCKH-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471000 611991758 /nfs/dbraw/zinc/99/17/58/611991758.db2.gz NNRVZSSTXVXCKH-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471000 611991760 /nfs/dbraw/zinc/99/17/60/611991760.db2.gz NNRVZSSTXVXCKH-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471000 611991763 /nfs/dbraw/zinc/99/17/63/611991763.db2.gz NNRVZSSTXVXCKH-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000956137924 612737534 /nfs/dbraw/zinc/73/75/34/612737534.db2.gz KYUQSDAPKSUYMH-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000956137924 612737539 /nfs/dbraw/zinc/73/75/39/612737539.db2.gz KYUQSDAPKSUYMH-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000956137924 612737542 /nfs/dbraw/zinc/73/75/42/612737542.db2.gz KYUQSDAPKSUYMH-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000956137924 612737545 /nfs/dbraw/zinc/73/75/45/612737545.db2.gz KYUQSDAPKSUYMH-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262010078 735381021 /nfs/dbraw/zinc/38/10/21/735381021.db2.gz WLFCOIIIXCJGSZ-HLLBOEOZSA-N 3 1 336.528 0.270 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834992 782308404 /nfs/dbraw/zinc/30/84/04/782308404.db2.gz PBHAQBPICUBVEY-HKUYNNGSSA-N 2 1 333.476 0.902 20 30 ECEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566833 735861167 /nfs/dbraw/zinc/86/11/67/735861167.db2.gz QOCACUOCQWVDKI-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566833 735861174 /nfs/dbraw/zinc/86/11/74/735861174.db2.gz QOCACUOCQWVDKI-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566833 735861176 /nfs/dbraw/zinc/86/11/76/735861176.db2.gz QOCACUOCQWVDKI-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566833 735861183 /nfs/dbraw/zinc/86/11/83/735861183.db2.gz QOCACUOCQWVDKI-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C#CC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001098570345 736110142 /nfs/dbraw/zinc/11/01/42/736110142.db2.gz ACUVACYMUYMSMS-UHFFFAOYSA-N 2 1 331.460 0.250 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227006 782523924 /nfs/dbraw/zinc/52/39/24/782523924.db2.gz DUZLEWQCEVOBRV-KZNAEPCWSA-N 2 1 349.475 0.062 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001023421650 736809334 /nfs/dbraw/zinc/80/93/34/736809334.db2.gz FXTMETCIWXYZAQ-MSOLQXFVSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC001023421650 736809336 /nfs/dbraw/zinc/80/93/36/736809336.db2.gz FXTMETCIWXYZAQ-MSOLQXFVSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001023421650 736809339 /nfs/dbraw/zinc/80/93/39/736809339.db2.gz FXTMETCIWXYZAQ-MSOLQXFVSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC001023421650 736809343 /nfs/dbraw/zinc/80/93/43/736809343.db2.gz FXTMETCIWXYZAQ-MSOLQXFVSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC001023421650 736809349 /nfs/dbraw/zinc/80/93/49/736809349.db2.gz FXTMETCIWXYZAQ-MSOLQXFVSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)CCO1)C[C@@H](C)O2 ZINC001098577375 736914590 /nfs/dbraw/zinc/91/45/90/736914590.db2.gz CTTDLOQVFDBRIC-HZPDHXFCSA-N 2 1 335.448 0.032 20 30 ECEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939860 738264807 /nfs/dbraw/zinc/26/48/07/738264807.db2.gz WEJATLNVEFITBS-WMZOPIPTSA-N 2 1 339.480 0.738 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001025630005 739795206 /nfs/dbraw/zinc/79/52/06/739795206.db2.gz NZDIYZXYKXGXJL-HOCLYGCPSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCC)nn2)C1 ZINC001105262245 741589291 /nfs/dbraw/zinc/58/92/91/741589291.db2.gz QLNTUQVZSMELAB-KRWDZBQOSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCC)nn2)C1 ZINC001105262245 741589292 /nfs/dbraw/zinc/58/92/92/741589292.db2.gz QLNTUQVZSMELAB-KRWDZBQOSA-N 2 1 344.463 0.649 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749033 741758637 /nfs/dbraw/zinc/75/86/37/741758637.db2.gz AAMWXELTAQHPLF-YJBOKZPZSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749033 741758638 /nfs/dbraw/zinc/75/86/38/741758638.db2.gz AAMWXELTAQHPLF-YJBOKZPZSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996800286 742888257 /nfs/dbraw/zinc/88/82/57/742888257.db2.gz AALPBKYLIOFBPK-KLAILNCOSA-N 2 1 333.480 0.507 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000983391685 742939809 /nfs/dbraw/zinc/93/98/09/742939809.db2.gz PSOATCNTUVTUSO-KZNAEPCWSA-N 2 1 342.443 0.873 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000983391685 742939815 /nfs/dbraw/zinc/93/98/15/742939815.db2.gz PSOATCNTUVTUSO-KZNAEPCWSA-N 2 1 342.443 0.873 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000997000385 743112154 /nfs/dbraw/zinc/11/21/54/743112154.db2.gz PSWHXWAYJRLASM-WBVHZDCISA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003506 743159093 /nfs/dbraw/zinc/15/90/93/743159093.db2.gz MUBPNDXHMWGMFN-DLBZAZTESA-N 2 1 333.476 0.806 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261972086 743225200 /nfs/dbraw/zinc/22/52/00/743225200.db2.gz NJGUQQBOGAWJAK-QGZVFWFLSA-N 2 1 334.512 0.168 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)CCC1CCOCC1 ZINC000262017660 743435500 /nfs/dbraw/zinc/43/55/00/743435500.db2.gz YBQCUVQGLDYJRH-MRXNPFEDSA-N 2 1 325.501 0.556 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000997623872 743716958 /nfs/dbraw/zinc/71/69/58/743716958.db2.gz IQLBLKNNLNDBRT-BHYGNILZSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000997623872 743716959 /nfs/dbraw/zinc/71/69/59/743716959.db2.gz IQLBLKNNLNDBRT-BHYGNILZSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000998927289 744410369 /nfs/dbraw/zinc/41/03/69/744410369.db2.gz FGEMYTBXPLCHIK-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000998927289 744410374 /nfs/dbraw/zinc/41/03/74/744410374.db2.gz FGEMYTBXPLCHIK-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cnnn2C)C1 ZINC001027447041 744473470 /nfs/dbraw/zinc/47/34/70/744473470.db2.gz ZQYVWJZFOJWURO-RDJZCZTQSA-N 2 1 344.463 0.336 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](N(C)Cc2cnnn2C)C1 ZINC001027447041 744473472 /nfs/dbraw/zinc/47/34/72/744473472.db2.gz ZQYVWJZFOJWURO-RDJZCZTQSA-N 2 1 344.463 0.336 20 30 ECEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982305946 751925319 /nfs/dbraw/zinc/92/53/19/751925319.db2.gz BFFHJHHZVHTTBB-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982305946 751925326 /nfs/dbraw/zinc/92/53/26/751925326.db2.gz BFFHJHHZVHTTBB-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982305946 751925331 /nfs/dbraw/zinc/92/53/31/751925331.db2.gz BFFHJHHZVHTTBB-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982305946 751925335 /nfs/dbraw/zinc/92/53/35/751925335.db2.gz BFFHJHHZVHTTBB-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978255042 746124814 /nfs/dbraw/zinc/12/48/14/746124814.db2.gz LKHDHJQCWJMUOV-AKHDSKFASA-N 2 1 345.487 0.947 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978255042 746124816 /nfs/dbraw/zinc/12/48/16/746124816.db2.gz LKHDHJQCWJMUOV-AKHDSKFASA-N 2 1 345.487 0.947 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978255042 746124819 /nfs/dbraw/zinc/12/48/19/746124819.db2.gz LKHDHJQCWJMUOV-AKHDSKFASA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978258147 746128364 /nfs/dbraw/zinc/12/83/64/746128364.db2.gz RSVSQQPZFAZETH-FJIDUMEYSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258147 746128367 /nfs/dbraw/zinc/12/83/67/746128367.db2.gz RSVSQQPZFAZETH-FJIDUMEYSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258147 746128369 /nfs/dbraw/zinc/12/83/69/746128369.db2.gz RSVSQQPZFAZETH-FJIDUMEYSA-N 2 1 331.460 0.557 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001001263243 746222915 /nfs/dbraw/zinc/22/29/15/746222915.db2.gz IVWGKJNZCWBSSD-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000978667229 746558029 /nfs/dbraw/zinc/55/80/29/746558029.db2.gz LHLMNPNJXMTJJN-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000978667229 746558031 /nfs/dbraw/zinc/55/80/31/746558031.db2.gz LHLMNPNJXMTJJN-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000978667229 746558033 /nfs/dbraw/zinc/55/80/33/746558033.db2.gz LHLMNPNJXMTJJN-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000978667229 746558035 /nfs/dbraw/zinc/55/80/35/746558035.db2.gz LHLMNPNJXMTJJN-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C2)CC1 ZINC001027694428 746862992 /nfs/dbraw/zinc/86/29/92/746862992.db2.gz YEIRXVCXDYUVKN-HOCLYGCPSA-N 2 1 334.464 0.128 20 30 ECEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047374 747145178 /nfs/dbraw/zinc/14/51/78/747145178.db2.gz VBKJDALHZYHTTP-ASLPWWTFSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047374 747145182 /nfs/dbraw/zinc/14/51/82/747145182.db2.gz VBKJDALHZYHTTP-ASLPWWTFSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047374 747145186 /nfs/dbraw/zinc/14/51/86/747145186.db2.gz VBKJDALHZYHTTP-ASLPWWTFSA-N 2 1 331.460 0.816 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnn(C)c2)C1 ZINC001029758190 748271108 /nfs/dbraw/zinc/27/11/08/748271108.db2.gz UMQLRPOXZSONPQ-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn(C)c2)C1 ZINC001029758190 748271113 /nfs/dbraw/zinc/27/11/13/748271113.db2.gz UMQLRPOXZSONPQ-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnn(C)c2)C1 ZINC001029758190 748271119 /nfs/dbraw/zinc/27/11/19/748271119.db2.gz UMQLRPOXZSONPQ-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnn(C)c2)C1 ZINC001029758190 748271121 /nfs/dbraw/zinc/27/11/21/748271121.db2.gz UMQLRPOXZSONPQ-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnn(C)c2)C1 ZINC001029758190 748271126 /nfs/dbraw/zinc/27/11/26/748271126.db2.gz UMQLRPOXZSONPQ-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC000979721299 748285656 /nfs/dbraw/zinc/28/56/56/748285656.db2.gz YPYYYOMRXHRYPQ-BBWFWOEESA-N 2 1 343.475 0.908 20 30 ECEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262553039 748439860 /nfs/dbraw/zinc/43/98/60/748439860.db2.gz ZMTVHQJBRWTALS-AWEZNQCLSA-N 2 1 333.436 0.820 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001003973860 749096155 /nfs/dbraw/zinc/09/61/55/749096155.db2.gz GQXZFOXEMWEJLA-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790432 749107809 /nfs/dbraw/zinc/10/78/09/749107809.db2.gz HHLIOXWBZNYENP-DOTOQJQBSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790432 749107814 /nfs/dbraw/zinc/10/78/14/749107814.db2.gz HHLIOXWBZNYENP-DOTOQJQBSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790432 749107817 /nfs/dbraw/zinc/10/78/17/749107817.db2.gz HHLIOXWBZNYENP-DOTOQJQBSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001168139000 749541155 /nfs/dbraw/zinc/54/11/55/749541155.db2.gz WMOUFTJWCTVRTE-HZPDHXFCSA-N 2 1 348.491 0.601 20 30 ECEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742883 750581756 /nfs/dbraw/zinc/58/17/56/750581756.db2.gz WXXYORZBIOPUSY-URSIVYNOSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644756 752612801 /nfs/dbraw/zinc/61/28/01/752612801.db2.gz DUEUIECZDUSBDY-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467478 752761408 /nfs/dbraw/zinc/76/14/08/752761408.db2.gz XBTXPWMKGNZZTB-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467478 752761412 /nfs/dbraw/zinc/76/14/12/752761412.db2.gz XBTXPWMKGNZZTB-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467478 752761415 /nfs/dbraw/zinc/76/14/15/752761415.db2.gz XBTXPWMKGNZZTB-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467478 752761418 /nfs/dbraw/zinc/76/14/18/752761418.db2.gz XBTXPWMKGNZZTB-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467478 752761424 /nfs/dbraw/zinc/76/14/24/752761424.db2.gz XBTXPWMKGNZZTB-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000938096144 753256677 /nfs/dbraw/zinc/25/66/77/753256677.db2.gz WBYHZDQUQGDVKJ-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377153 754473332 /nfs/dbraw/zinc/47/33/32/754473332.db2.gz RSGHANKBOLRSIW-KRWDZBQOSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C[C@H]2C)CC1 ZINC000989830050 754484535 /nfs/dbraw/zinc/48/45/35/754484535.db2.gz YZZLRQWQIAVGEC-ZBFHGGJFSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC[C@@H]1C ZINC001077124767 758286971 /nfs/dbraw/zinc/28/69/71/758286971.db2.gz FDWGWUSNDGSLED-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC[C@@H]1C ZINC001077124767 758286979 /nfs/dbraw/zinc/28/69/79/758286979.db2.gz FDWGWUSNDGSLED-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001077124767 758286989 /nfs/dbraw/zinc/28/69/89/758286989.db2.gz FDWGWUSNDGSLED-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001077124767 758286998 /nfs/dbraw/zinc/28/69/98/758286998.db2.gz FDWGWUSNDGSLED-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451947 758741980 /nfs/dbraw/zinc/74/19/80/758741980.db2.gz HWXCTVGIXJHQLP-VAVUMJPSSA-N 2 1 325.840 0.839 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001022600767 758937733 /nfs/dbraw/zinc/93/77/33/758937733.db2.gz WRMZRULLPJZFIZ-VIQHNZTISA-N 2 1 348.491 0.740 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC(=O)NC)CC1 ZINC001049916859 759400415 /nfs/dbraw/zinc/40/04/15/759400415.db2.gz FWVWCOYCOAKXPU-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(=O)NC)CC1 ZINC001049916859 759400421 /nfs/dbraw/zinc/40/04/21/759400421.db2.gz FWVWCOYCOAKXPU-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100187 759701765 /nfs/dbraw/zinc/70/17/65/759701765.db2.gz VMQGTNXUYISZPZ-VVJOJPPRSA-N 2 1 343.471 0.796 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100187 759701769 /nfs/dbraw/zinc/70/17/69/759701769.db2.gz VMQGTNXUYISZPZ-VVJOJPPRSA-N 2 1 343.471 0.796 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100187 759701774 /nfs/dbraw/zinc/70/17/74/759701774.db2.gz VMQGTNXUYISZPZ-VVJOJPPRSA-N 2 1 343.471 0.796 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001050333033 760141077 /nfs/dbraw/zinc/14/10/77/760141077.db2.gz NOAHWMGUTPKHLL-QAETUUGQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001050333033 760141080 /nfs/dbraw/zinc/14/10/80/760141080.db2.gz NOAHWMGUTPKHLL-QAETUUGQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC[C@@H]3CO1)C2 ZINC001048526098 760663508 /nfs/dbraw/zinc/66/35/08/760663508.db2.gz OHDGUKIFEQASTH-ILOCAZANSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC001048526098 760663513 /nfs/dbraw/zinc/66/35/13/760663513.db2.gz OHDGUKIFEQASTH-ILOCAZANSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001048526098 760663517 /nfs/dbraw/zinc/66/35/17/760663517.db2.gz OHDGUKIFEQASTH-ILOCAZANSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC[C@@H]3CO1)C2 ZINC001048526096 760664239 /nfs/dbraw/zinc/66/42/39/760664239.db2.gz OHDGUKIFEQASTH-CWQOZTLDSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC001048526096 760664244 /nfs/dbraw/zinc/66/42/44/760664244.db2.gz OHDGUKIFEQASTH-CWQOZTLDSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)C2 ZINC001048526096 760664249 /nfs/dbraw/zinc/66/42/49/760664249.db2.gz OHDGUKIFEQASTH-CWQOZTLDSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1 ZINC001106266345 768035596 /nfs/dbraw/zinc/03/55/96/768035596.db2.gz DYOAHURPBRGKPE-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCC)[C@H](C)C1 ZINC001106266345 768035600 /nfs/dbraw/zinc/03/56/00/768035600.db2.gz DYOAHURPBRGKPE-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CCC2CC2)CC1 ZINC001051253897 761772858 /nfs/dbraw/zinc/77/28/58/761772858.db2.gz BBNLICAGRBGIRP-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CCC2CC2)CC1 ZINC001051253897 761772862 /nfs/dbraw/zinc/77/28/62/761772862.db2.gz BBNLICAGRBGIRP-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001051254090 761773291 /nfs/dbraw/zinc/77/32/91/761773291.db2.gz DUUFAZIRMFQRMD-AEFFLSMTSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001051254090 761773294 /nfs/dbraw/zinc/77/32/94/761773294.db2.gz DUUFAZIRMFQRMD-AEFFLSMTSA-N 2 1 349.475 0.185 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001051932868 763376854 /nfs/dbraw/zinc/37/68/54/763376854.db2.gz XATMTGSFQWKYCZ-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068440 763763421 /nfs/dbraw/zinc/76/34/21/763763421.db2.gz IYRCAUATKPZJDH-ROUUACIJSA-N 2 1 347.507 0.850 20 30 ECEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068440 763763424 /nfs/dbraw/zinc/76/34/24/763763424.db2.gz IYRCAUATKPZJDH-ROUUACIJSA-N 2 1 347.507 0.850 20 30 ECEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001047227658 763816305 /nfs/dbraw/zinc/81/63/05/763816305.db2.gz DZDYBHAUULZJRY-MSOLQXFVSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC001052959012 765415176 /nfs/dbraw/zinc/41/51/76/765415176.db2.gz QFTVURMYHCCAJE-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)O)CC1 ZINC001045896229 766478035 /nfs/dbraw/zinc/47/80/35/766478035.db2.gz YVVMKASRPHSIHH-NXHRZFHOSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000994756188 766723490 /nfs/dbraw/zinc/72/34/90/766723490.db2.gz VCEZPSKAJJSXJP-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000994756188 766723499 /nfs/dbraw/zinc/72/34/99/766723499.db2.gz VCEZPSKAJJSXJP-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044530 766767831 /nfs/dbraw/zinc/76/78/31/766767831.db2.gz YFGPSWZEVNUNEB-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044530 766767833 /nfs/dbraw/zinc/76/78/33/766767833.db2.gz YFGPSWZEVNUNEB-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046053688 766797849 /nfs/dbraw/zinc/79/78/49/766797849.db2.gz ADSYQTSVVQTYDQ-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053688 766797852 /nfs/dbraw/zinc/79/78/52/766797852.db2.gz ADSYQTSVVQTYDQ-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053688 766797858 /nfs/dbraw/zinc/79/78/58/766797858.db2.gz ADSYQTSVVQTYDQ-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046063919 766839232 /nfs/dbraw/zinc/83/92/32/766839232.db2.gz BVLLLZACZXUXGT-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046063919 766839242 /nfs/dbraw/zinc/83/92/42/766839242.db2.gz BVLLLZACZXUXGT-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046063919 766839250 /nfs/dbraw/zinc/83/92/50/766839250.db2.gz BVLLLZACZXUXGT-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084204 766924288 /nfs/dbraw/zinc/92/42/88/766924288.db2.gz MTYXTMXNGNEWFX-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084204 766924293 /nfs/dbraw/zinc/92/42/93/766924293.db2.gz MTYXTMXNGNEWFX-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001031741438 766991366 /nfs/dbraw/zinc/99/13/66/766991366.db2.gz YWXJNLPZHAWRBZ-KRWDZBQOSA-N 2 1 342.443 0.031 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001031741438 766991370 /nfs/dbraw/zinc/99/13/70/766991370.db2.gz YWXJNLPZHAWRBZ-KRWDZBQOSA-N 2 1 342.443 0.031 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767664 768900840 /nfs/dbraw/zinc/90/08/40/768900840.db2.gz MIMPSFDDBAQVRD-IAGOWNOFSA-N 2 1 339.480 0.595 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055589217 769192390 /nfs/dbraw/zinc/19/23/90/769192390.db2.gz CKFLHMLFJQUUNL-CQSZACIVSA-N 2 1 337.468 0.183 20 30 ECEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631291 769301162 /nfs/dbraw/zinc/30/11/62/769301162.db2.gz FQVCQUMTEAGNIG-AWEZNQCLSA-N 2 1 337.468 0.185 20 30 ECEDMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083749246 770526960 /nfs/dbraw/zinc/52/69/60/770526960.db2.gz OONUEZZRKUSWGF-MSOLQXFVSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083749246 770526965 /nfs/dbraw/zinc/52/69/65/770526965.db2.gz OONUEZZRKUSWGF-MSOLQXFVSA-N 2 1 342.443 0.561 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001019386422 771236323 /nfs/dbraw/zinc/23/63/23/771236323.db2.gz NSEPRXYEVFVATD-JKSUJKDBSA-N 2 1 348.491 0.696 20 30 ECEDMP N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)c1 ZINC001019518465 771399615 /nfs/dbraw/zinc/39/96/15/771399615.db2.gz PIUWKSPBLGMSGO-SFHVURJKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3CC)C2)CC1 ZINC001019813606 771828718 /nfs/dbraw/zinc/82/87/18/771828718.db2.gz IXJHIYKDXSKIJH-INIZCTEOSA-N 2 1 344.463 0.334 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001020045770 772107454 /nfs/dbraw/zinc/10/74/54/772107454.db2.gz KTVKHBJOXHMUHF-HUBLWGQQSA-N 2 1 334.445 0.687 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001020045770 772107458 /nfs/dbraw/zinc/10/74/58/772107458.db2.gz KTVKHBJOXHMUHF-HUBLWGQQSA-N 2 1 334.445 0.687 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001020250758 772351741 /nfs/dbraw/zinc/35/17/41/772351741.db2.gz PEGPQXXFVQLKJN-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001020250758 772351748 /nfs/dbraw/zinc/35/17/48/772351748.db2.gz PEGPQXXFVQLKJN-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001020302798 772417934 /nfs/dbraw/zinc/41/79/34/772417934.db2.gz SRCOCCSXCJVHSH-VGWMRTNUSA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015363 790329594 /nfs/dbraw/zinc/32/95/94/790329594.db2.gz UWLQQLFTPARTHB-CVEARBPZSA-N 2 1 332.452 0.538 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664743 775995700 /nfs/dbraw/zinc/99/57/00/775995700.db2.gz OFZHLBKTFLNMQF-SJORKVTESA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664743 775995709 /nfs/dbraw/zinc/99/57/09/775995709.db2.gz OFZHLBKTFLNMQF-SJORKVTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001045684780 776038376 /nfs/dbraw/zinc/03/83/76/776038376.db2.gz BIGFYSAWVJFWIJ-IAGOWNOFSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001045684780 776038382 /nfs/dbraw/zinc/03/83/82/776038382.db2.gz BIGFYSAWVJFWIJ-IAGOWNOFSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001042738074 780721963 /nfs/dbraw/zinc/72/19/63/780721963.db2.gz ZQKSBUSYDPMFDU-MSOLQXFVSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259889 780931601 /nfs/dbraw/zinc/93/16/01/780931601.db2.gz UAFKEQITGMXBLR-FGTMMUONSA-N 2 1 345.487 0.901 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258467 783756748 /nfs/dbraw/zinc/75/67/48/783756748.db2.gz WHXOHRNEQYQBFV-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275278 783780828 /nfs/dbraw/zinc/78/08/28/783780828.db2.gz DJBHXOXULIGFEF-CVEARBPZSA-N 2 1 346.479 0.928 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403253 783977497 /nfs/dbraw/zinc/97/74/97/783977497.db2.gz OLNSTTQWKLNFAC-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403253 783977500 /nfs/dbraw/zinc/97/75/00/783977500.db2.gz OLNSTTQWKLNFAC-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403253 783977503 /nfs/dbraw/zinc/97/75/03/783977503.db2.gz OLNSTTQWKLNFAC-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403253 783977510 /nfs/dbraw/zinc/97/75/10/783977510.db2.gz OLNSTTQWKLNFAC-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001070409648 783997182 /nfs/dbraw/zinc/99/71/82/783997182.db2.gz IZLJNUDSBUIFDV-WBVHZDCISA-N 2 1 341.459 0.790 20 30 ECEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001070973844 784284340 /nfs/dbraw/zinc/28/43/40/784284340.db2.gz XGOROICMXKTPSK-MRXNPFEDSA-N 2 1 338.496 0.943 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001070973844 784284349 /nfs/dbraw/zinc/28/43/49/784284349.db2.gz XGOROICMXKTPSK-MRXNPFEDSA-N 2 1 338.496 0.943 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001070568084 784285206 /nfs/dbraw/zinc/28/52/06/784285206.db2.gz YDMZMJXGGOQDOQ-CGTJXYLNSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@@H+](CC)CC2)CC1 ZINC001071021886 784444296 /nfs/dbraw/zinc/44/42/96/784444296.db2.gz KYCLGYSJYFYJOD-UHFFFAOYSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@H+](CC)CC2)CC1 ZINC001071021886 784444300 /nfs/dbraw/zinc/44/43/00/784444300.db2.gz KYCLGYSJYFYJOD-UHFFFAOYSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218351 784762450 /nfs/dbraw/zinc/76/24/50/784762450.db2.gz MKKDOARBXVFHOX-MJGOQNOKSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218351 784762461 /nfs/dbraw/zinc/76/24/61/784762461.db2.gz MKKDOARBXVFHOX-MJGOQNOKSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NC)C2)CC1 ZINC001072095856 785660925 /nfs/dbraw/zinc/66/09/25/785660925.db2.gz PEMLJKRVIVABSK-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NC)C2)CC1 ZINC001072095856 785660929 /nfs/dbraw/zinc/66/09/29/785660929.db2.gz PEMLJKRVIVABSK-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)COC ZINC001266870106 836414977 /nfs/dbraw/zinc/41/49/77/836414977.db2.gz GGDWBCPAOQQAQI-ULQDDVLXSA-N 2 1 337.464 0.062 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)COC ZINC001266870106 836414981 /nfs/dbraw/zinc/41/49/81/836414981.db2.gz GGDWBCPAOQQAQI-ULQDDVLXSA-N 2 1 337.464 0.062 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266871128 836416775 /nfs/dbraw/zinc/41/67/75/836416775.db2.gz SZFCHXDGASSTOE-HZPDHXFCSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCc1nc(C)no1 ZINC001266950073 836514150 /nfs/dbraw/zinc/51/41/50/836514150.db2.gz LYOOJSGWDAKEBC-HIFRSBDPSA-N 2 1 333.436 0.503 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCc1nc(C)no1 ZINC001266950073 836514152 /nfs/dbraw/zinc/51/41/52/836514152.db2.gz LYOOJSGWDAKEBC-HIFRSBDPSA-N 2 1 333.436 0.503 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267001586 836592540 /nfs/dbraw/zinc/59/25/40/836592540.db2.gz SRQLXYQBUUETBQ-HZPDHXFCSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001267200180 836971009 /nfs/dbraw/zinc/97/10/09/836971009.db2.gz GSMVUIBYBXXOKT-MOPGFXCFSA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001267200180 836971017 /nfs/dbraw/zinc/97/10/17/836971017.db2.gz GSMVUIBYBXXOKT-MOPGFXCFSA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](O)Cc1ccccc1 ZINC001267200180 836971022 /nfs/dbraw/zinc/97/10/22/836971022.db2.gz GSMVUIBYBXXOKT-MOPGFXCFSA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](O)Cc1ccccc1 ZINC001267200180 836971027 /nfs/dbraw/zinc/97/10/27/836971027.db2.gz GSMVUIBYBXXOKT-MOPGFXCFSA-N 2 1 343.471 0.736 20 30 ECEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+]1CC#CCOC ZINC001267268671 837105811 /nfs/dbraw/zinc/10/58/11/837105811.db2.gz CWCQIFGTNHVZNV-HOTGVXAUSA-N 2 1 327.444 0.897 20 30 ECEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001267268671 837105817 /nfs/dbraw/zinc/10/58/17/837105817.db2.gz CWCQIFGTNHVZNV-HOTGVXAUSA-N 2 1 327.444 0.897 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267275589 837118996 /nfs/dbraw/zinc/11/89/96/837118996.db2.gz XZDJFCAGFOUOFG-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267275589 837118997 /nfs/dbraw/zinc/11/89/97/837118997.db2.gz XZDJFCAGFOUOFG-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267275589 837118999 /nfs/dbraw/zinc/11/89/99/837118999.db2.gz XZDJFCAGFOUOFG-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267275589 837119001 /nfs/dbraw/zinc/11/90/01/837119001.db2.gz XZDJFCAGFOUOFG-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001267296896 837156509 /nfs/dbraw/zinc/15/65/09/837156509.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NCC(C)C)C1 ZINC001267296896 837156517 /nfs/dbraw/zinc/15/65/17/837156517.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267585727 837861576 /nfs/dbraw/zinc/86/15/76/837861576.db2.gz ZUCCIIZRTRFYJB-MSOLQXFVSA-N 2 1 331.460 0.514 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1 ZINC001267585727 837861595 /nfs/dbraw/zinc/86/15/95/837861595.db2.gz ZUCCIIZRTRFYJB-MSOLQXFVSA-N 2 1 331.460 0.514 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001267585727 837861608 /nfs/dbraw/zinc/86/16/08/837861608.db2.gz ZUCCIIZRTRFYJB-MSOLQXFVSA-N 2 1 331.460 0.514 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001267585727 837861622 /nfs/dbraw/zinc/86/16/22/837861622.db2.gz ZUCCIIZRTRFYJB-MSOLQXFVSA-N 2 1 331.460 0.514 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267589603 837877617 /nfs/dbraw/zinc/87/76/17/837877617.db2.gz OVGBLMKBUNFBJI-HNNXBMFYSA-N 2 1 336.480 0.411 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC#CCOC)CC1 ZINC001267733486 838425605 /nfs/dbraw/zinc/42/56/05/838425605.db2.gz QGRHPDNHEZDXEY-IBGZPJMESA-N 2 1 345.487 0.904 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC#CCOC)CC1 ZINC001267733486 838425610 /nfs/dbraw/zinc/42/56/10/838425610.db2.gz QGRHPDNHEZDXEY-IBGZPJMESA-N 2 1 345.487 0.904 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC#CCOC)CC1 ZINC001267733486 838425616 /nfs/dbraw/zinc/42/56/16/838425616.db2.gz QGRHPDNHEZDXEY-IBGZPJMESA-N 2 1 345.487 0.904 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC#CCOC)CC1 ZINC001267733486 838425619 /nfs/dbraw/zinc/42/56/19/838425619.db2.gz QGRHPDNHEZDXEY-IBGZPJMESA-N 2 1 345.487 0.904 20 30 ECEDMP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267767221 838503461 /nfs/dbraw/zinc/50/34/61/838503461.db2.gz NGDBJLOYMKMENS-HZPDHXFCSA-N 2 1 330.432 0.628 20 30 ECEDMP C#CCNC(=O)C[NH2+]CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267909469 838777213 /nfs/dbraw/zinc/77/72/13/838777213.db2.gz PUCHYWSOORGTID-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP COCC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001267940096 838824331 /nfs/dbraw/zinc/82/43/31/838824331.db2.gz CTBITMNXXHQLEY-SFHVURJKSA-N 2 1 329.444 0.994 20 30 ECEDMP C[NH+]=C(NC[C@@H](C)[N@@H+](C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261800715 436890619 /nfs/dbraw/zinc/89/06/19/436890619.db2.gz RSXINKZDPOKWMR-CYBMUJFWSA-N 2 1 347.467 0.127 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262595615 436938862 /nfs/dbraw/zinc/93/88/62/436938862.db2.gz WQXMSRZDJSAQKJ-HNNXBMFYSA-N 2 1 348.451 0.090 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1 ZINC000264074090 437015455 /nfs/dbraw/zinc/01/54/55/437015455.db2.gz GWPRLKNMHBMLEW-MRXNPFEDSA-N 2 1 346.479 0.807 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1-n1ccnc1 ZINC000303871097 437156515 /nfs/dbraw/zinc/15/65/15/437156515.db2.gz FRIMSISKMWQTNP-UHFFFAOYSA-N 2 1 342.447 0.999 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](CC)C2CC2)CC1 ZINC000303991773 437157320 /nfs/dbraw/zinc/15/73/20/437157320.db2.gz ZZQQHVKRHLBODX-UHFFFAOYSA-N 2 1 325.457 0.996 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(-n2ccnc2)c1 ZINC000303984552 437157333 /nfs/dbraw/zinc/15/73/33/437157333.db2.gz SFDHYXDIYFJNER-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ncnn1-c1ccccc1 ZINC000278578737 437324783 /nfs/dbraw/zinc/32/47/83/437324783.db2.gz RNTBABKONZIMNK-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP CC(C)(CNC(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCOCC1 ZINC000329607269 437391075 /nfs/dbraw/zinc/39/10/75/437391075.db2.gz BJRVUGZWVXIUAV-KKUMJFAQSA-N 2 1 325.453 0.756 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343765360 437650300 /nfs/dbraw/zinc/65/03/00/437650300.db2.gz NCHRVQDVBXZLRF-QGZVFWFLSA-N 2 1 348.491 0.838 20 30 ECEDMP COC(=O)[C@]1(C)CC[N@@H+](CC#CC[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252622 /nfs/dbraw/zinc/25/26/22/438252622.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 2 1 336.432 0.760 20 30 ECEDMP COC(=O)[C@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252626 /nfs/dbraw/zinc/25/26/26/438252626.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 2 1 336.432 0.760 20 30 ECEDMP COC(=O)[C@]1(C)CC[NH+](CC#CC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373437 438252631 /nfs/dbraw/zinc/25/26/31/438252631.db2.gz MHOYMHFTNRDYOC-HDICACEKSA-N 2 1 336.432 0.760 20 30 ECEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC(F)(C#N)CC2)C1 ZINC000352484070 438428015 /nfs/dbraw/zinc/42/80/15/438428015.db2.gz LDJHXKRGROAMMX-HNNXBMFYSA-N 2 1 340.443 0.787 20 30 ECEDMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(F)(C#N)CC2)C1 ZINC000352484070 438428019 /nfs/dbraw/zinc/42/80/19/438428019.db2.gz LDJHXKRGROAMMX-HNNXBMFYSA-N 2 1 340.443 0.787 20 30 ECEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951025 438895536 /nfs/dbraw/zinc/89/55/36/438895536.db2.gz VVDJSWSIHBZKTE-ROUUACIJSA-N 2 1 343.475 0.940 20 30 ECEDMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951025 438895540 /nfs/dbraw/zinc/89/55/40/438895540.db2.gz VVDJSWSIHBZKTE-ROUUACIJSA-N 2 1 343.475 0.940 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000491425506 439379182 /nfs/dbraw/zinc/37/91/82/439379182.db2.gz ABABEULCGLXSHN-UHFFFAOYSA-N 2 1 330.432 0.806 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491565879 439407488 /nfs/dbraw/zinc/40/74/88/439407488.db2.gz CWCAUEPGEKYQBN-QZTJIDSGSA-N 2 1 329.444 0.599 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491565879 439407495 /nfs/dbraw/zinc/40/74/95/439407495.db2.gz CWCAUEPGEKYQBN-QZTJIDSGSA-N 2 1 329.444 0.599 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000491708014 439433827 /nfs/dbraw/zinc/43/38/27/439433827.db2.gz MMZOQUFMKQWMDR-UHFFFAOYSA-N 2 1 346.406 0.481 20 30 ECEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530229841 439495075 /nfs/dbraw/zinc/49/50/75/439495075.db2.gz AHYFGYOTNHYMDQ-QGZVFWFLSA-N 2 1 333.432 0.998 20 30 ECEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000600739129 439697186 /nfs/dbraw/zinc/69/71/86/439697186.db2.gz PZBWSSPJPLMLSW-DLBZAZTESA-N 2 1 333.432 0.734 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)CC1 ZINC000880180877 590375347 /nfs/dbraw/zinc/37/53/47/590375347.db2.gz ILOZSIWKEQWMPU-QAPCUYQASA-N 2 1 333.432 0.181 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H]1C ZINC000884330979 590807813 /nfs/dbraw/zinc/80/78/13/590807813.db2.gz BZCQSXZRUMVYFL-GBRKPNRJSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H]1C ZINC000884330979 590807817 /nfs/dbraw/zinc/80/78/17/590807817.db2.gz BZCQSXZRUMVYFL-GBRKPNRJSA-N 2 1 348.447 0.222 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927630558 611620826 /nfs/dbraw/zinc/62/08/26/611620826.db2.gz NULWWGKOVANCNO-QGZVFWFLSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000913920152 609834233 /nfs/dbraw/zinc/83/42/33/609834233.db2.gz IXMXRUKSBGULHC-KRWDZBQOSA-N 2 1 336.480 0.740 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC000939809752 610136577 /nfs/dbraw/zinc/13/65/77/610136577.db2.gz JFFLNWTUYLXKSH-PBHICJAKSA-N 2 1 344.463 0.097 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058062 610635970 /nfs/dbraw/zinc/63/59/70/610635970.db2.gz SLAPKFDOVHJQIL-HOTGVXAUSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000923553575 611259883 /nfs/dbraw/zinc/25/98/83/611259883.db2.gz KNMCUGNZPGOFNB-KSZLIROESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000923553575 611259885 /nfs/dbraw/zinc/25/98/85/611259885.db2.gz KNMCUGNZPGOFNB-KSZLIROESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000954630301 612467499 /nfs/dbraw/zinc/46/74/99/612467499.db2.gz AKYCIQPERGOODR-DLBZAZTESA-N 2 1 348.491 0.339 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000954630301 612467501 /nfs/dbraw/zinc/46/75/01/612467501.db2.gz AKYCIQPERGOODR-DLBZAZTESA-N 2 1 348.491 0.339 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000971688270 734949180 /nfs/dbraw/zinc/94/91/80/734949180.db2.gz VKNINEAARIZIEP-SJORKVTESA-N 2 1 348.491 0.790 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnnn2CC)C1 ZINC000971703631 734964785 /nfs/dbraw/zinc/96/47/85/734964785.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 1 344.463 0.428 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnnn2CC)C1 ZINC000971703631 734964788 /nfs/dbraw/zinc/96/47/88/734964788.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 1 344.463 0.428 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC000971704034 734965547 /nfs/dbraw/zinc/96/55/47/734965547.db2.gz PXZYHVBYGLUKOF-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC000971704034 734965549 /nfs/dbraw/zinc/96/55/49/734965549.db2.gz PXZYHVBYGLUKOF-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCN2CCCC2=O)C1 ZINC000971704034 734965550 /nfs/dbraw/zinc/96/55/50/734965550.db2.gz PXZYHVBYGLUKOF-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCN2CCCC2=O)C1 ZINC000971704034 734965552 /nfs/dbraw/zinc/96/55/52/734965552.db2.gz PXZYHVBYGLUKOF-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001098569632 736081040 /nfs/dbraw/zinc/08/10/40/736081040.db2.gz VOUFMEVOHYTDAQ-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001098569632 736081046 /nfs/dbraw/zinc/08/10/46/736081046.db2.gz VOUFMEVOHYTDAQ-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098569632 736081053 /nfs/dbraw/zinc/08/10/53/736081053.db2.gz VOUFMEVOHYTDAQ-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098569632 736081060 /nfs/dbraw/zinc/08/10/60/736081060.db2.gz VOUFMEVOHYTDAQ-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098569632 736081063 /nfs/dbraw/zinc/08/10/63/736081063.db2.gz VOUFMEVOHYTDAQ-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001023759495 737319974 /nfs/dbraw/zinc/31/99/74/737319974.db2.gz GLHQUTLZMBXWGQ-DOTOQJQBSA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCC=C)C[C@@H]32)CC1 ZINC001083283654 739743093 /nfs/dbraw/zinc/74/30/93/739743093.db2.gz MNRDADHEFUALTB-ZWKOTPCHSA-N 2 1 331.460 0.819 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001026040884 740326718 /nfs/dbraw/zinc/32/67/18/740326718.db2.gz SVYAEENSVQXUIM-QFXBJFAPSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@H]2C)C1=O ZINC001026040884 740326720 /nfs/dbraw/zinc/32/67/20/740326720.db2.gz SVYAEENSVQXUIM-QFXBJFAPSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@H]2C)C1=O ZINC001026040884 740326724 /nfs/dbraw/zinc/32/67/24/740326724.db2.gz SVYAEENSVQXUIM-QFXBJFAPSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104874068 740774998 /nfs/dbraw/zinc/77/49/98/740774998.db2.gz NDHFRTBFOPKLLD-HZPDHXFCSA-N 2 1 338.496 0.705 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240434 741531414 /nfs/dbraw/zinc/53/14/14/741531414.db2.gz NERJNZNQQBKBSS-QGZVFWFLSA-N 2 1 344.463 0.647 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974594402 741928758 /nfs/dbraw/zinc/92/87/58/741928758.db2.gz LCOLHQWADVAENE-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974594402 741928761 /nfs/dbraw/zinc/92/87/61/741928761.db2.gz LCOLHQWADVAENE-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001026893519 742038532 /nfs/dbraw/zinc/03/85/32/742038532.db2.gz JFTWENBJVZATOR-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001026893519 742038536 /nfs/dbraw/zinc/03/85/36/742038536.db2.gz JFTWENBJVZATOR-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001026893951 742039770 /nfs/dbraw/zinc/03/97/70/742039770.db2.gz RTOQCNXDXKYQMH-ZBFHGGJFSA-N 2 1 346.431 0.719 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001026959009 742182209 /nfs/dbraw/zinc/18/22/09/742182209.db2.gz YOJIWYJVXCYGGZ-HZPDHXFCSA-N 2 1 345.447 0.417 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822460 742218029 /nfs/dbraw/zinc/21/80/29/742218029.db2.gz BEDVOELXCIGFPA-YJTLQXIOSA-N 2 1 331.460 0.700 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001027218547 743179784 /nfs/dbraw/zinc/17/97/84/743179784.db2.gz IUGXLMQNDLYLET-HZPDHXFCSA-N 2 1 345.447 0.417 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455726 751816771 /nfs/dbraw/zinc/81/67/71/751816771.db2.gz KQRZQNIWCITLRK-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455726 751816779 /nfs/dbraw/zinc/81/67/79/751816779.db2.gz KQRZQNIWCITLRK-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825909 744362757 /nfs/dbraw/zinc/36/27/57/744362757.db2.gz NNQVDYBUYKCNAM-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825909 744362762 /nfs/dbraw/zinc/36/27/62/744362762.db2.gz NNQVDYBUYKCNAM-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000998928640 744410759 /nfs/dbraw/zinc/41/07/59/744410759.db2.gz PGCKHOVNEIQYDM-HTWSVDAQSA-N 2 1 341.459 0.962 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000998928640 744410763 /nfs/dbraw/zinc/41/07/63/744410763.db2.gz PGCKHOVNEIQYDM-HTWSVDAQSA-N 2 1 341.459 0.962 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000999391915 744671694 /nfs/dbraw/zinc/67/16/94/744671694.db2.gz NYNYQMJBYALLEN-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000999391915 744671698 /nfs/dbraw/zinc/67/16/98/744671698.db2.gz NYNYQMJBYALLEN-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000999878235 744987207 /nfs/dbraw/zinc/98/72/07/744987207.db2.gz RDUDMTBMQZPNSN-OAHLLOKOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987400 745142199 /nfs/dbraw/zinc/14/21/99/745142199.db2.gz NUVBUVNUKULXTA-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987400 745142202 /nfs/dbraw/zinc/14/22/02/745142202.db2.gz NUVBUVNUKULXTA-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987400 745142205 /nfs/dbraw/zinc/14/22/05/745142205.db2.gz NUVBUVNUKULXTA-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000983900064 745475868 /nfs/dbraw/zinc/47/58/68/745475868.db2.gz CMEVIMPHCBDHAY-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000983900064 745475871 /nfs/dbraw/zinc/47/58/71/745475871.db2.gz CMEVIMPHCBDHAY-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC000983907786 745489901 /nfs/dbraw/zinc/48/99/01/745489901.db2.gz ZWRSIOFTUQYFCE-KKUMJFAQSA-N 2 1 331.420 0.460 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001000918518 745898930 /nfs/dbraw/zinc/89/89/30/745898930.db2.gz GNBXWLWJCKFMOL-HZPDHXFCSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361037 752068172 /nfs/dbraw/zinc/06/81/72/752068172.db2.gz OHJPHUQRWGOZRG-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001253664 746211902 /nfs/dbraw/zinc/21/19/02/746211902.db2.gz ZMNNAWYRVJBIRV-UHFFFAOYSA-N 2 1 329.448 0.830 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001001491323 746429065 /nfs/dbraw/zinc/42/90/65/746429065.db2.gz HLGAPAGUGCDMFK-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001001491323 746429069 /nfs/dbraw/zinc/42/90/69/746429069.db2.gz HLGAPAGUGCDMFK-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969878 746763115 /nfs/dbraw/zinc/76/31/15/746763115.db2.gz SPMHIEKOKCDWBP-CVEARBPZSA-N 2 1 329.448 0.472 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnn(C)n2)C1 ZINC001029758025 748269701 /nfs/dbraw/zinc/26/97/01/748269701.db2.gz OYLHZYPNURGZQT-WBVHZDCISA-N 2 1 344.463 0.193 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cnn(C)n2)C1 ZINC001029758025 748269702 /nfs/dbraw/zinc/26/97/02/748269702.db2.gz OYLHZYPNURGZQT-WBVHZDCISA-N 2 1 344.463 0.193 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626107 748739622 /nfs/dbraw/zinc/73/96/22/748739622.db2.gz MGDUHDFJPWNKKO-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262811278 749823982 /nfs/dbraw/zinc/82/39/82/749823982.db2.gz VDIKNBFRAAGKDN-MRXNPFEDSA-N 2 1 338.496 0.911 20 30 ECEDMP C[NH+]=C(NCc1cccn1C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262818569 749859179 /nfs/dbraw/zinc/85/91/79/749859179.db2.gz XILZBWWIHMSIQQ-UHFFFAOYSA-N 2 1 334.468 0.243 20 30 ECEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783758 751104072 /nfs/dbraw/zinc/10/40/72/751104072.db2.gz DOMFJXBNWRBAFW-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981783758 751104078 /nfs/dbraw/zinc/10/40/78/751104078.db2.gz DOMFJXBNWRBAFW-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981783758 751104081 /nfs/dbraw/zinc/10/40/81/751104081.db2.gz DOMFJXBNWRBAFW-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001105365530 752437876 /nfs/dbraw/zinc/43/78/76/752437876.db2.gz YQYWELXNPATAMC-UHFFFAOYSA-N 2 1 332.452 0.506 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001021096358 752537270 /nfs/dbraw/zinc/53/72/70/752537270.db2.gz OUWTVPQQWXAPBD-QAETUUGQSA-N 2 1 348.491 0.885 20 30 ECEDMP CC[NH+]=C(NCC1(O)CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261742605 753075240 /nfs/dbraw/zinc/07/52/40/753075240.db2.gz MSIRCHNHBFZUJA-MRXNPFEDSA-N 2 1 338.496 0.911 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462649 753286775 /nfs/dbraw/zinc/28/67/75/753286775.db2.gz SSDJQRXWPNMPJQ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462649 753286780 /nfs/dbraw/zinc/28/67/80/753286780.db2.gz SSDJQRXWPNMPJQ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462649 753286783 /nfs/dbraw/zinc/28/67/83/753286783.db2.gz SSDJQRXWPNMPJQ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000982777781 753531431 /nfs/dbraw/zinc/53/14/31/753531431.db2.gz HCUIHEJZUNXLNZ-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000982777781 753531433 /nfs/dbraw/zinc/53/14/33/753531433.db2.gz HCUIHEJZUNXLNZ-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098681109 753607555 /nfs/dbraw/zinc/60/75/55/753607555.db2.gz OGZJUDIZOSOAQX-CVEARBPZSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000989734866 754367096 /nfs/dbraw/zinc/36/70/96/754367096.db2.gz HVBUZRWDPDNPNB-MRXNPFEDSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)CC1 ZINC000989734866 754367103 /nfs/dbraw/zinc/36/71/03/754367103.db2.gz HVBUZRWDPDNPNB-MRXNPFEDSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C[C@@H]2C)CC1 ZINC000989829224 754498745 /nfs/dbraw/zinc/49/87/45/754498745.db2.gz PJRWYPADXQFGHY-GOEBONIOSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001009627367 755086241 /nfs/dbraw/zinc/08/62/41/755086241.db2.gz LNEXLCBLKPWHQD-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001009627367 755086244 /nfs/dbraw/zinc/08/62/44/755086244.db2.gz LNEXLCBLKPWHQD-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000990569517 755420887 /nfs/dbraw/zinc/42/08/87/755420887.db2.gz GFTQXDUZYLAGCY-ZDUSSCGKSA-N 2 1 346.269 0.806 20 30 ECEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569517 755420889 /nfs/dbraw/zinc/42/08/89/755420889.db2.gz GFTQXDUZYLAGCY-ZDUSSCGKSA-N 2 1 346.269 0.806 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000847 757883360 /nfs/dbraw/zinc/88/33/60/757883360.db2.gz SSDJQRXWPNMPJQ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001077000847 757883369 /nfs/dbraw/zinc/88/33/69/757883369.db2.gz SSDJQRXWPNMPJQ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001077000847 757883387 /nfs/dbraw/zinc/88/33/87/757883387.db2.gz SSDJQRXWPNMPJQ-CGTJXYLNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)CC1 ZINC001021739089 757890472 /nfs/dbraw/zinc/89/04/72/757890472.db2.gz GJYZMATUDTVUQQ-SJORKVTESA-N 2 1 346.475 0.130 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001022277188 758513840 /nfs/dbraw/zinc/51/38/40/758513840.db2.gz WWJFVNFCDPVASV-FVCCEPFGSA-N 2 1 346.269 0.851 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001022277188 758513846 /nfs/dbraw/zinc/51/38/46/758513846.db2.gz WWJFVNFCDPVASV-FVCCEPFGSA-N 2 1 346.269 0.851 20 30 ECEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996765926 758765528 /nfs/dbraw/zinc/76/55/28/758765528.db2.gz MMOOQPSLVVPKSL-ABHNRTSZSA-N 2 1 332.492 0.759 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921087 759406017 /nfs/dbraw/zinc/40/60/17/759406017.db2.gz UZKRWGPGEIVKKK-ROUUACIJSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107035853 759459443 /nfs/dbraw/zinc/45/94/43/759459443.db2.gz BHCKHKYCUMUXTB-BRWVUGGUSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](CC)C(N)=O)CC2 ZINC001050551163 760477680 /nfs/dbraw/zinc/47/76/80/760477680.db2.gz QQGFLQHOKALSNZ-CVEARBPZSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](CC)C(N)=O)CC2 ZINC001050551163 760477683 /nfs/dbraw/zinc/47/76/83/760477683.db2.gz QQGFLQHOKALSNZ-CVEARBPZSA-N 2 1 346.475 0.272 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066112 760687677 /nfs/dbraw/zinc/68/76/77/760687677.db2.gz JNWQFMKJRFSULD-INIZCTEOSA-N 2 1 338.496 0.990 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046850558 763231570 /nfs/dbraw/zinc/23/15/70/763231570.db2.gz WICKMQZTNGOHRB-LJQANCHMSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)CCC2(F)F)CC1 ZINC001046996086 763535900 /nfs/dbraw/zinc/53/59/00/763535900.db2.gz SMVJCVLELVNTLN-HNNXBMFYSA-N 2 1 343.418 0.397 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107936 763889158 /nfs/dbraw/zinc/88/91/58/763889158.db2.gz IAOFESISDZHWLF-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505397 764539682 /nfs/dbraw/zinc/53/96/82/764539682.db2.gz IZSHSSIWLWSHGO-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505397 764539687 /nfs/dbraw/zinc/53/96/87/764539687.db2.gz IZSHSSIWLWSHGO-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077496958 765673736 /nfs/dbraw/zinc/67/37/36/765673736.db2.gz MZCYFUISKPGYRO-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077496958 765673743 /nfs/dbraw/zinc/67/37/43/765673743.db2.gz MZCYFUISKPGYRO-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001077496958 765673748 /nfs/dbraw/zinc/67/37/48/765673748.db2.gz MZCYFUISKPGYRO-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001077496958 765673753 /nfs/dbraw/zinc/67/37/53/765673753.db2.gz MZCYFUISKPGYRO-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000994756176 766723923 /nfs/dbraw/zinc/72/39/23/766723923.db2.gz UUWQWCSRFPNXEE-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000994756176 766723933 /nfs/dbraw/zinc/72/39/33/766723933.db2.gz UUWQWCSRFPNXEE-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000994756176 766723944 /nfs/dbraw/zinc/72/39/44/766723944.db2.gz UUWQWCSRFPNXEE-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000994756176 766723953 /nfs/dbraw/zinc/72/39/53/766723953.db2.gz UUWQWCSRFPNXEE-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001046050933 766788778 /nfs/dbraw/zinc/78/87/78/766788778.db2.gz SZCODWJGKAEUEX-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001046055176 766804796 /nfs/dbraw/zinc/80/47/96/766804796.db2.gz UDLOTGTUTWGHSM-QGZVFWFLSA-N 2 1 344.459 0.807 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260298 766926777 /nfs/dbraw/zinc/92/67/77/766926777.db2.gz AYIPGNWUCBUKRN-SJORKVTESA-N 2 1 348.491 0.767 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001031740578 766984568 /nfs/dbraw/zinc/98/45/68/766984568.db2.gz FMGRBOSUBQSMHG-RDJZCZTQSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001031740578 766984575 /nfs/dbraw/zinc/98/45/75/766984575.db2.gz FMGRBOSUBQSMHG-RDJZCZTQSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001031812736 767262472 /nfs/dbraw/zinc/26/24/72/767262472.db2.gz IPMMNPVFOYGKTD-MRXNPFEDSA-N 2 1 346.475 0.450 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001054147376 767742253 /nfs/dbraw/zinc/74/22/53/767742253.db2.gz PPUUWJLZMORSMW-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001054147376 767742254 /nfs/dbraw/zinc/74/22/54/767742254.db2.gz PPUUWJLZMORSMW-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCO)C2)C1 ZINC001054147376 767742258 /nfs/dbraw/zinc/74/22/58/767742258.db2.gz PPUUWJLZMORSMW-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCO)C2)C1 ZINC001054147376 767742262 /nfs/dbraw/zinc/74/22/62/767742262.db2.gz PPUUWJLZMORSMW-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839371 770027417 /nfs/dbraw/zinc/02/74/17/770027417.db2.gz DTFJEYAQZVORMY-BZUAXINKSA-N 2 1 336.480 0.150 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)[C@@H]2C)CC1 ZINC000994501114 770919248 /nfs/dbraw/zinc/91/92/48/770919248.db2.gz SEGKAMLKWFHHDR-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)[C@@H]2C)CC1 ZINC000994501114 770919253 /nfs/dbraw/zinc/91/92/53/770919253.db2.gz SEGKAMLKWFHHDR-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2C)C1=O ZINC001045310943 775383271 /nfs/dbraw/zinc/38/32/71/775383271.db2.gz XUCSLTYQGYYWTH-JKSUJKDBSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028912 790382141 /nfs/dbraw/zinc/38/21/41/790382141.db2.gz KYLJXAVGYQLGTO-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028912 790382153 /nfs/dbraw/zinc/38/21/53/790382153.db2.gz KYLJXAVGYQLGTO-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028912 790382163 /nfs/dbraw/zinc/38/21/63/790382163.db2.gz KYLJXAVGYQLGTO-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680336 781498064 /nfs/dbraw/zinc/49/80/64/781498064.db2.gz BAQUVKYQNOXSLY-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680336 781498072 /nfs/dbraw/zinc/49/80/72/781498072.db2.gz BAQUVKYQNOXSLY-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680336 781498080 /nfs/dbraw/zinc/49/80/80/781498080.db2.gz BAQUVKYQNOXSLY-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680336 781498086 /nfs/dbraw/zinc/49/80/86/781498086.db2.gz BAQUVKYQNOXSLY-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489309 781618784 /nfs/dbraw/zinc/61/87/84/781618784.db2.gz SWQLZAKDXRDUEA-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489309 781618787 /nfs/dbraw/zinc/61/87/87/781618787.db2.gz SWQLZAKDXRDUEA-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489309 781618790 /nfs/dbraw/zinc/61/87/90/781618790.db2.gz SWQLZAKDXRDUEA-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](C)O)CC1 ZINC001040014063 783407978 /nfs/dbraw/zinc/40/79/78/783407978.db2.gz DECBDWABTANNJK-RYQLBKOJSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001071051929 784484702 /nfs/dbraw/zinc/48/47/02/784484702.db2.gz WIVQHEDTUWJNQI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001071051929 784484708 /nfs/dbraw/zinc/48/47/08/784484708.db2.gz WIVQHEDTUWJNQI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001071051929 784484713 /nfs/dbraw/zinc/48/47/13/784484713.db2.gz WIVQHEDTUWJNQI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001071051929 784484717 /nfs/dbraw/zinc/48/47/17/784484717.db2.gz WIVQHEDTUWJNQI-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689527 784555997 /nfs/dbraw/zinc/55/59/97/784555997.db2.gz CCRNOWTTWFSOFL-BZUAXINKSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191630 784701781 /nfs/dbraw/zinc/70/17/81/784701781.db2.gz HSQVKWVXDAIPGH-FUHWJXTLSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191630 784701785 /nfs/dbraw/zinc/70/17/85/784701785.db2.gz HSQVKWVXDAIPGH-FUHWJXTLSA-N 2 1 330.432 0.907 20 30 ECEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710375 787020415 /nfs/dbraw/zinc/02/04/15/787020415.db2.gz YSRARLIDGWKDKD-BNQMIIOLSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710375 787020423 /nfs/dbraw/zinc/02/04/23/787020423.db2.gz YSRARLIDGWKDKD-BNQMIIOLSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710375 787020430 /nfs/dbraw/zinc/02/04/30/787020430.db2.gz YSRARLIDGWKDKD-BNQMIIOLSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740143 787093244 /nfs/dbraw/zinc/09/32/44/787093244.db2.gz BWTZJBSZFSLCBY-SJORKVTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740143 787093253 /nfs/dbraw/zinc/09/32/53/787093253.db2.gz BWTZJBSZFSLCBY-SJORKVTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740143 787093263 /nfs/dbraw/zinc/09/32/63/787093263.db2.gz BWTZJBSZFSLCBY-SJORKVTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740949 787094802 /nfs/dbraw/zinc/09/48/02/787094802.db2.gz MBABCOLCAWAIBC-IAGOWNOFSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740949 787094810 /nfs/dbraw/zinc/09/48/10/787094810.db2.gz MBABCOLCAWAIBC-IAGOWNOFSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740949 787094819 /nfs/dbraw/zinc/09/48/19/787094819.db2.gz MBABCOLCAWAIBC-IAGOWNOFSA-N 2 1 339.480 0.879 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815442 787250083 /nfs/dbraw/zinc/25/00/83/787250083.db2.gz AMCPHNDCMKLGML-QGZVFWFLSA-N 2 1 347.463 0.289 20 30 ECEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001073851155 787361958 /nfs/dbraw/zinc/36/19/58/787361958.db2.gz WCCMNXAFPRMISW-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001073851155 787361970 /nfs/dbraw/zinc/36/19/70/787361970.db2.gz WCCMNXAFPRMISW-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC001072811692 788859608 /nfs/dbraw/zinc/85/96/08/788859608.db2.gz BPPHTWKEGGSOLP-KRWDZBQOSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC001072811692 788859623 /nfs/dbraw/zinc/85/96/23/788859623.db2.gz BPPHTWKEGGSOLP-KRWDZBQOSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC001072811692 788859630 /nfs/dbraw/zinc/85/96/30/788859630.db2.gz BPPHTWKEGGSOLP-KRWDZBQOSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)C(=O)NC)C3)CC1 ZINC001073457479 789865020 /nfs/dbraw/zinc/86/50/20/789865020.db2.gz RZRPAVLNCBZBMB-OAHLLOKOSA-N 2 1 346.475 0.000 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928783 790200553 /nfs/dbraw/zinc/20/05/53/790200553.db2.gz IPJHVPLQGCXQLG-ZACQAIPSSA-N 2 1 344.463 0.538 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928783 790200559 /nfs/dbraw/zinc/20/05/59/790200559.db2.gz IPJHVPLQGCXQLG-ZACQAIPSSA-N 2 1 344.463 0.538 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959139 790241349 /nfs/dbraw/zinc/24/13/49/790241349.db2.gz FZNRRTFTICSEEY-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959139 790241354 /nfs/dbraw/zinc/24/13/54/790241354.db2.gz FZNRRTFTICSEEY-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959139 790241360 /nfs/dbraw/zinc/24/13/60/790241360.db2.gz FZNRRTFTICSEEY-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959139 790241366 /nfs/dbraw/zinc/24/13/66/790241366.db2.gz FZNRRTFTICSEEY-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001267535664 837712523 /nfs/dbraw/zinc/71/25/23/837712523.db2.gz CONPUEHGUUQUBM-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001267535664 837712529 /nfs/dbraw/zinc/71/25/29/837712529.db2.gz CONPUEHGUUQUBM-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001267535664 837712535 /nfs/dbraw/zinc/71/25/35/837712535.db2.gz CONPUEHGUUQUBM-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001267535664 837712543 /nfs/dbraw/zinc/71/25/43/837712543.db2.gz CONPUEHGUUQUBM-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267558151 837767695 /nfs/dbraw/zinc/76/76/95/837767695.db2.gz STZVESIGWDZFMS-WBVHZDCISA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267558151 837767709 /nfs/dbraw/zinc/76/77/09/837767709.db2.gz STZVESIGWDZFMS-WBVHZDCISA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001267558151 837767717 /nfs/dbraw/zinc/76/77/17/837767717.db2.gz STZVESIGWDZFMS-WBVHZDCISA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001267558151 837767725 /nfs/dbraw/zinc/76/77/25/837767725.db2.gz STZVESIGWDZFMS-WBVHZDCISA-N 2 1 346.475 0.191 20 30 ECEDMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001279215485 835806257 /nfs/dbraw/zinc/80/62/57/835806257.db2.gz BJKVHNAIGWZXPW-ACBHZAAOSA-N 2 1 341.455 0.948 20 30 ECEDMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001279215485 835806262 /nfs/dbraw/zinc/80/62/62/835806262.db2.gz BJKVHNAIGWZXPW-ACBHZAAOSA-N 2 1 341.455 0.948 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266594714 836025708 /nfs/dbraw/zinc/02/57/08/836025708.db2.gz QBPPDYMPFHVDAM-AWEZNQCLSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266594714 836025721 /nfs/dbraw/zinc/02/57/21/836025721.db2.gz QBPPDYMPFHVDAM-AWEZNQCLSA-N 2 1 334.464 0.189 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266751186 836241916 /nfs/dbraw/zinc/24/19/16/836241916.db2.gz CTJBHCQKANZHGE-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001266751186 836241921 /nfs/dbraw/zinc/24/19/21/836241921.db2.gz CTJBHCQKANZHGE-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001266751186 836241932 /nfs/dbraw/zinc/24/19/32/836241932.db2.gz CTJBHCQKANZHGE-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266880528 836427976 /nfs/dbraw/zinc/42/79/76/836427976.db2.gz LIWMBWWLBCEUPP-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001266916971 836475098 /nfs/dbraw/zinc/47/50/98/836475098.db2.gz MCRVETSSULNQEN-OFLPRAFFSA-N 2 1 339.480 0.927 20 30 ECEDMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266916971 836475101 /nfs/dbraw/zinc/47/51/01/836475101.db2.gz MCRVETSSULNQEN-OFLPRAFFSA-N 2 1 339.480 0.927 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001267168835 836894007 /nfs/dbraw/zinc/89/40/07/836894007.db2.gz FXYJXFUBJHRXTR-MRXNPFEDSA-N 2 1 348.491 0.581 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269404 837107131 /nfs/dbraw/zinc/10/71/31/837107131.db2.gz NMBMILXAIFKGSC-CABCVRRESA-N 2 1 336.480 0.742 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269404 837107135 /nfs/dbraw/zinc/10/71/35/837107135.db2.gz NMBMILXAIFKGSC-CABCVRRESA-N 2 1 336.480 0.742 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271316 837112004 /nfs/dbraw/zinc/11/20/04/837112004.db2.gz SQUSLZOGHHNWNP-HZPDHXFCSA-N 2 1 346.475 0.333 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271316 837112013 /nfs/dbraw/zinc/11/20/13/837112013.db2.gz SQUSLZOGHHNWNP-HZPDHXFCSA-N 2 1 346.475 0.333 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267296994 837156882 /nfs/dbraw/zinc/15/68/82/837156882.db2.gz YYWKYLPDOLMUAT-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267296994 837156885 /nfs/dbraw/zinc/15/68/85/837156885.db2.gz YYWKYLPDOLMUAT-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267296994 837156891 /nfs/dbraw/zinc/15/68/91/837156891.db2.gz YYWKYLPDOLMUAT-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267617700 838041147 /nfs/dbraw/zinc/04/11/47/838041147.db2.gz GIVJHYFLJYCBSZ-MSOLQXFVSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267617700 838041157 /nfs/dbraw/zinc/04/11/57/838041157.db2.gz GIVJHYFLJYCBSZ-MSOLQXFVSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cn(C)nc1C ZINC001267804701 838582479 /nfs/dbraw/zinc/58/24/79/838582479.db2.gz AAGZRMMYRPZNEE-IRXDYDNUSA-N 2 1 331.464 0.811 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cn(C)nc1C ZINC001267804701 838582485 /nfs/dbraw/zinc/58/24/85/838582485.db2.gz AAGZRMMYRPZNEE-IRXDYDNUSA-N 2 1 331.464 0.811 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267966233 838882484 /nfs/dbraw/zinc/88/24/84/838882484.db2.gz ISAOBPUTECYEOD-GOEBONIOSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267966233 838882488 /nfs/dbraw/zinc/88/24/88/838882488.db2.gz ISAOBPUTECYEOD-GOEBONIOSA-N 2 1 336.480 0.600 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1C#N ZINC000355448213 266146636 /nfs/dbraw/zinc/14/66/36/266146636.db2.gz UGVZPFZCJAOVNE-AWEZNQCLSA-N 2 1 332.452 0.780 20 30 ECEDMP C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1cc(C#N)n(C)c1 ZINC000375960584 267054139 /nfs/dbraw/zinc/05/41/39/267054139.db2.gz JJIJIOFCEKAAMC-CRAIPNDOSA-N 2 1 331.464 0.733 20 30 ECEDMP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(C#N)n(C)c1 ZINC000375960584 267054143 /nfs/dbraw/zinc/05/41/43/267054143.db2.gz JJIJIOFCEKAAMC-CRAIPNDOSA-N 2 1 331.464 0.733 20 30 ECEDMP COCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264067308 437015662 /nfs/dbraw/zinc/01/56/62/437015662.db2.gz BWBOXCNKEIARAI-KRWDZBQOSA-N 2 1 333.480 0.916 20 30 ECEDMP COCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264067308 437015665 /nfs/dbraw/zinc/01/56/65/437015665.db2.gz BWBOXCNKEIARAI-KRWDZBQOSA-N 2 1 333.480 0.916 20 30 ECEDMP COCCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264067308 437015669 /nfs/dbraw/zinc/01/56/69/437015669.db2.gz BWBOXCNKEIARAI-KRWDZBQOSA-N 2 1 333.480 0.916 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000303694179 437152715 /nfs/dbraw/zinc/15/27/15/437152715.db2.gz CQNQIUVDNUIRNI-CQSZACIVSA-N 2 1 325.457 0.996 20 30 ECEDMP C=CCNC(=O)CN1CCCC2(CCC[N@@H+](CC(=O)NCC=C)C2)C1 ZINC000289481149 437415545 /nfs/dbraw/zinc/41/55/45/437415545.db2.gz OCDVNUBBCCGYHC-UHFFFAOYSA-N 2 1 348.491 0.769 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478665 437658710 /nfs/dbraw/zinc/65/87/10/437658710.db2.gz CSUOXULUDDMUQC-IRXDYDNUSA-N 2 1 348.491 0.886 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478664 437659340 /nfs/dbraw/zinc/65/93/40/437659340.db2.gz CSUOXULUDDMUQC-IAGOWNOFSA-N 2 1 348.491 0.886 20 30 ECEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000331134572 437695967 /nfs/dbraw/zinc/69/59/67/437695967.db2.gz CLVVDXAUWGOQMX-CQSZACIVSA-N 2 1 339.484 0.337 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624981 438115079 /nfs/dbraw/zinc/11/50/79/438115079.db2.gz JRILIJATPDRZJK-INIZCTEOSA-N 2 1 334.464 0.331 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263026 /nfs/dbraw/zinc/26/30/26/438263026.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC#CC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263030 /nfs/dbraw/zinc/26/30/30/438263030.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC#CC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000351471183 438263033 /nfs/dbraw/zinc/26/30/33/438263033.db2.gz ILNPAOIIGRWMMZ-FZKCQIBNSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000596753390 438996691 /nfs/dbraw/zinc/99/66/91/438996691.db2.gz QETPMGIJXNNJAF-AWEZNQCLSA-N 2 1 335.456 1.190 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000596753390 438996696 /nfs/dbraw/zinc/99/66/96/438996696.db2.gz QETPMGIJXNNJAF-AWEZNQCLSA-N 2 1 335.456 1.190 20 30 ECEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491418936 439379207 /nfs/dbraw/zinc/37/92/07/439379207.db2.gz SOXONMXYSUVNEG-MRXNPFEDSA-N 2 1 345.443 0.856 20 30 ECEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491418936 439379212 /nfs/dbraw/zinc/37/92/12/439379212.db2.gz SOXONMXYSUVNEG-MRXNPFEDSA-N 2 1 345.443 0.856 20 30 ECEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000600739932 439696918 /nfs/dbraw/zinc/69/69/18/439696918.db2.gz VPDGLVLCTLTGET-QGZVFWFLSA-N 2 1 333.432 0.734 20 30 ECEDMP C=CCN(CC=C)C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640792046 440989694 /nfs/dbraw/zinc/98/96/94/440989694.db2.gz NYALAIVBYXKZDN-UHFFFAOYSA-N 2 1 332.452 0.444 20 30 ECEDMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)n1cnc(C#N)n1 ZINC000619613038 546347976 /nfs/dbraw/zinc/34/79/76/546347976.db2.gz MDMMEXCWGMXQFK-ZFWWWQNUSA-N 2 1 345.451 0.338 20 30 ECEDMP C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613038 546347977 /nfs/dbraw/zinc/34/79/77/546347977.db2.gz MDMMEXCWGMXQFK-ZFWWWQNUSA-N 2 1 345.451 0.338 20 30 ECEDMP C=C(CNC(=O)[C@@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000620747678 546449877 /nfs/dbraw/zinc/44/98/77/546449877.db2.gz FIFULRWLGFMDMJ-HOTGVXAUSA-N 2 1 336.480 0.744 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852827807 589515662 /nfs/dbraw/zinc/51/56/62/589515662.db2.gz PYJYFWOOLRJXRG-HTRCEHHLSA-N 2 1 341.234 0.955 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182321 590279111 /nfs/dbraw/zinc/27/91/11/590279111.db2.gz KVIKEKDUQJCFLU-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP CO[C@H]1COCC[C@H]1[NH+](C)CC#CC[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433387 590393201 /nfs/dbraw/zinc/39/32/01/590393201.db2.gz WKYFZBGLBJUBGC-FZDBZEDMSA-N 2 1 340.464 0.461 20 30 ECEDMP CO[C@H]1COCC[C@H]1[N@@H+](C)CC#CC[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880433387 590393204 /nfs/dbraw/zinc/39/32/04/590393204.db2.gz WKYFZBGLBJUBGC-FZDBZEDMSA-N 2 1 340.464 0.461 20 30 ECEDMP CO[C@H]1COCC[C@H]1[N@H+](C)CC#CC[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880433387 590393207 /nfs/dbraw/zinc/39/32/07/590393207.db2.gz WKYFZBGLBJUBGC-FZDBZEDMSA-N 2 1 340.464 0.461 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160744 591052864 /nfs/dbraw/zinc/05/28/64/591052864.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 3 1 338.544 0.647 20 30 ECEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160744 591052868 /nfs/dbraw/zinc/05/28/68/591052868.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 2 1 338.544 0.647 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160744 591052871 /nfs/dbraw/zinc/05/28/71/591052871.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 2 1 338.544 0.647 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946628425 611374012 /nfs/dbraw/zinc/37/40/12/611374012.db2.gz PJPPJCPLGJZJIR-KSZLIROESA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946628425 611374013 /nfs/dbraw/zinc/37/40/13/611374013.db2.gz PJPPJCPLGJZJIR-KSZLIROESA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946628425 611374015 /nfs/dbraw/zinc/37/40/15/611374015.db2.gz PJPPJCPLGJZJIR-KSZLIROESA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946628425 611374017 /nfs/dbraw/zinc/37/40/17/611374017.db2.gz PJPPJCPLGJZJIR-KSZLIROESA-N 2 1 333.476 0.637 20 30 ECEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000152088324 609832512 /nfs/dbraw/zinc/83/25/12/609832512.db2.gz MXEHKMWRDMUKDF-CQSZACIVSA-N 2 1 333.484 0.941 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413812 610303041 /nfs/dbraw/zinc/30/30/41/610303041.db2.gz FTHYIXYVNPGZRM-FUHWJXTLSA-N 2 1 348.491 0.254 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413812 610303042 /nfs/dbraw/zinc/30/30/42/610303042.db2.gz FTHYIXYVNPGZRM-FUHWJXTLSA-N 2 1 348.491 0.254 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000941241398 610614161 /nfs/dbraw/zinc/61/41/61/610614161.db2.gz BYSSJPUOWXJOSG-IXDOHACOSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000941241398 610614164 /nfs/dbraw/zinc/61/41/64/610614164.db2.gz BYSSJPUOWXJOSG-IXDOHACOSA-N 2 1 346.475 0.141 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516603 610881757 /nfs/dbraw/zinc/88/17/57/610881757.db2.gz MHNZQCITPYVKQS-NVXWUHKLSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC000945184741 610938437 /nfs/dbraw/zinc/93/84/37/610938437.db2.gz XMIUPIZBJJPYGI-WBVHZDCISA-N 2 1 348.491 0.246 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922155647 611340559 /nfs/dbraw/zinc/34/05/59/611340559.db2.gz DJMZTHMJRIANQU-VGWMRTNUSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000922200532 611342785 /nfs/dbraw/zinc/34/27/85/611342785.db2.gz DNLJIFVLOAPULD-MRXNPFEDSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000950872876 611960058 /nfs/dbraw/zinc/96/00/58/611960058.db2.gz NNPNATNFYHUHGH-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000950872876 611960059 /nfs/dbraw/zinc/96/00/59/611960059.db2.gz NNPNATNFYHUHGH-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000953907168 612426827 /nfs/dbraw/zinc/42/68/27/612426827.db2.gz YSDQVLPPYRLHQP-KRWDZBQOSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000954665521 612513467 /nfs/dbraw/zinc/51/34/67/612513467.db2.gz SJAPLZUQISPIKN-KRWDZBQOSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000954665521 612513474 /nfs/dbraw/zinc/51/34/74/612513474.db2.gz SJAPLZUQISPIKN-KRWDZBQOSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2cccn2)C1 ZINC000969865786 732464200 /nfs/dbraw/zinc/46/42/00/732464200.db2.gz QSFJJTAJSNCPBV-RDJZCZTQSA-N 2 1 329.448 0.417 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2cccn2)C1 ZINC000969865786 732464203 /nfs/dbraw/zinc/46/42/03/732464203.db2.gz QSFJJTAJSNCPBV-RDJZCZTQSA-N 2 1 329.448 0.417 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232947 733077170 /nfs/dbraw/zinc/07/71/70/733077170.db2.gz VFZGIJUNHBPWEU-OAHLLOKOSA-N 2 1 336.480 0.507 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000970762038 733922616 /nfs/dbraw/zinc/92/26/16/733922616.db2.gz IPGKLVZXGUORBQ-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000970762038 733922618 /nfs/dbraw/zinc/92/26/18/733922618.db2.gz IPGKLVZXGUORBQ-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000971703339 734964618 /nfs/dbraw/zinc/96/46/18/734964618.db2.gz DYHMLCIHEVGSPN-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000971703339 734964621 /nfs/dbraw/zinc/96/46/21/734964621.db2.gz DYHMLCIHEVGSPN-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC000971703339 734964622 /nfs/dbraw/zinc/96/46/22/734964622.db2.gz DYHMLCIHEVGSPN-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccnn2C)C1 ZINC000971703339 734964623 /nfs/dbraw/zinc/96/46/23/734964623.db2.gz DYHMLCIHEVGSPN-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccnn2C)C1 ZINC000971703339 734964624 /nfs/dbraw/zinc/96/46/24/734964624.db2.gz DYHMLCIHEVGSPN-MSOLQXFVSA-N 2 1 343.475 0.593 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001023128719 736524042 /nfs/dbraw/zinc/52/40/42/736524042.db2.gz QBOZVNOQHISCTO-IYBDPMFKSA-N 2 1 327.432 0.559 20 30 ECEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520761 736550058 /nfs/dbraw/zinc/55/00/58/736550058.db2.gz SXAQLSJPSPKEHV-IEBWSBKVSA-N 2 1 349.475 0.422 20 30 ECEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520761 736550062 /nfs/dbraw/zinc/55/00/62/736550062.db2.gz SXAQLSJPSPKEHV-IEBWSBKVSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC)CC1 ZINC001024812339 738317028 /nfs/dbraw/zinc/31/70/28/738317028.db2.gz NMOZVUTXKLJCJQ-INIZCTEOSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC)CC1 ZINC001024812339 738317033 /nfs/dbraw/zinc/31/70/33/738317033.db2.gz NMOZVUTXKLJCJQ-INIZCTEOSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947622 738399568 /nfs/dbraw/zinc/39/95/68/738399568.db2.gz RXWBVIFBTFVMMC-LPHOPBHVSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973410836 739223855 /nfs/dbraw/zinc/22/38/55/739223855.db2.gz VLHYXTZSPJYKAV-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973410836 739223862 /nfs/dbraw/zinc/22/38/62/739223862.db2.gz VLHYXTZSPJYKAV-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000973410836 739223868 /nfs/dbraw/zinc/22/38/68/739223868.db2.gz VLHYXTZSPJYKAV-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000973410836 739223874 /nfs/dbraw/zinc/22/38/74/739223874.db2.gz VLHYXTZSPJYKAV-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000973410836 739223876 /nfs/dbraw/zinc/22/38/76/739223876.db2.gz VLHYXTZSPJYKAV-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083280807 739436287 /nfs/dbraw/zinc/43/62/87/739436287.db2.gz HPGHGJANQGJFIF-GVDBMIGSSA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083280807 739436290 /nfs/dbraw/zinc/43/62/90/739436290.db2.gz HPGHGJANQGJFIF-GVDBMIGSSA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280807 739436293 /nfs/dbraw/zinc/43/62/93/739436293.db2.gz HPGHGJANQGJFIF-GVDBMIGSSA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280807 739436296 /nfs/dbraw/zinc/43/62/96/739436296.db2.gz HPGHGJANQGJFIF-GVDBMIGSSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001026043573 740335468 /nfs/dbraw/zinc/33/54/68/740335468.db2.gz NVZSNMWJNRJCET-QFXBJFAPSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001026043573 740335472 /nfs/dbraw/zinc/33/54/72/740335472.db2.gz NVZSNMWJNRJCET-QFXBJFAPSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001026043573 740335478 /nfs/dbraw/zinc/33/54/78/740335478.db2.gz NVZSNMWJNRJCET-QFXBJFAPSA-N 2 1 346.475 0.162 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974590555 741916772 /nfs/dbraw/zinc/91/67/72/741916772.db2.gz BIMBNQZYCQWSNA-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001026959008 742182137 /nfs/dbraw/zinc/18/21/37/742182137.db2.gz YOJIWYJVXCYGGZ-HOTGVXAUSA-N 2 1 345.447 0.417 20 30 ECEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261939977 742864938 /nfs/dbraw/zinc/86/49/38/742864938.db2.gz DHROCPKCHZVQOS-JGGQBBKZSA-N 2 1 326.510 0.892 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934284 742903157 /nfs/dbraw/zinc/90/31/57/742903157.db2.gz XWJACZHJLFSPAT-JKSUJKDBSA-N 2 1 346.475 0.307 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001029001641 743154083 /nfs/dbraw/zinc/15/40/83/743154083.db2.gz AZHPPGUYVHIKKS-HNNXBMFYSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC001020586183 751843967 /nfs/dbraw/zinc/84/39/67/751843967.db2.gz HQOUPNMUUNEUDR-VGWMRTNUSA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC001020588748 751849614 /nfs/dbraw/zinc/84/96/14/751849614.db2.gz LAEWNBUMBFORSR-VGWMRTNUSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000998923666 744408309 /nfs/dbraw/zinc/40/83/09/744408309.db2.gz UITSAZZBWLDSNJ-ABHNRTSZSA-N 2 1 343.475 0.905 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000998923666 744408310 /nfs/dbraw/zinc/40/83/10/744408310.db2.gz UITSAZZBWLDSNJ-ABHNRTSZSA-N 2 1 343.475 0.905 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999970263 745117878 /nfs/dbraw/zinc/11/78/78/745117878.db2.gz AYQDVJQEHNDEIR-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999970263 745117880 /nfs/dbraw/zinc/11/78/80/745117880.db2.gz AYQDVJQEHNDEIR-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970263 745117884 /nfs/dbraw/zinc/11/78/84/745117884.db2.gz AYQDVJQEHNDEIR-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970263 745117885 /nfs/dbraw/zinc/11/78/85/745117885.db2.gz AYQDVJQEHNDEIR-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987973 745143710 /nfs/dbraw/zinc/14/37/10/745143710.db2.gz RQUIBDDTCLTRSN-IRXDYDNUSA-N 2 1 342.447 0.116 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995255 745155061 /nfs/dbraw/zinc/15/50/61/745155061.db2.gz FUGBOXWKRQLYGX-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995255 745155066 /nfs/dbraw/zinc/15/50/66/745155066.db2.gz FUGBOXWKRQLYGX-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995255 745155071 /nfs/dbraw/zinc/15/50/71/745155071.db2.gz FUGBOXWKRQLYGX-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660146 745353968 /nfs/dbraw/zinc/35/39/68/745353968.db2.gz YNXCIQQTQFUONT-HOTGVXAUSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660146 745353972 /nfs/dbraw/zinc/35/39/72/745353972.db2.gz YNXCIQQTQFUONT-HOTGVXAUSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000983906323 745487980 /nfs/dbraw/zinc/48/79/80/745487980.db2.gz SFZBXPFAAMFSHD-ZOBUZTSGSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000983906323 745487983 /nfs/dbraw/zinc/48/79/83/745487983.db2.gz SFZBXPFAAMFSHD-ZOBUZTSGSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001000995485 745960807 /nfs/dbraw/zinc/96/08/07/745960807.db2.gz YVASHCZXEDYOGV-MRXNPFEDSA-N 2 1 344.463 0.241 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361018 752064111 /nfs/dbraw/zinc/06/41/11/752064111.db2.gz NIZJPBGOXJDMGH-CQSZACIVSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001001492541 746430305 /nfs/dbraw/zinc/43/03/05/746430305.db2.gz SJSIFTSWSATFOB-CVEARBPZSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001001492541 746430308 /nfs/dbraw/zinc/43/03/08/746430308.db2.gz SJSIFTSWSATFOB-CVEARBPZSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001002836308 747858118 /nfs/dbraw/zinc/85/81/18/747858118.db2.gz UXBVGMKRDUNKIW-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001002836308 747858125 /nfs/dbraw/zinc/85/81/25/747858125.db2.gz UXBVGMKRDUNKIW-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001002836308 747858133 /nfs/dbraw/zinc/85/81/33/747858133.db2.gz UXBVGMKRDUNKIW-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001002836308 747858140 /nfs/dbraw/zinc/85/81/40/747858140.db2.gz UXBVGMKRDUNKIW-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001002836185 747858887 /nfs/dbraw/zinc/85/88/87/747858887.db2.gz RLEMNXPFVPVZTD-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001002836185 747858896 /nfs/dbraw/zinc/85/88/96/747858896.db2.gz RLEMNXPFVPVZTD-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001002836185 747858904 /nfs/dbraw/zinc/85/89/04/747858904.db2.gz RLEMNXPFVPVZTD-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001002836185 747858909 /nfs/dbraw/zinc/85/89/09/747858909.db2.gz RLEMNXPFVPVZTD-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000979578023 748070382 /nfs/dbraw/zinc/07/03/82/748070382.db2.gz LHLMNPNJXMTJJN-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979578023 748070389 /nfs/dbraw/zinc/07/03/89/748070389.db2.gz LHLMNPNJXMTJJN-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000979578023 748070401 /nfs/dbraw/zinc/07/04/01/748070401.db2.gz LHLMNPNJXMTJJN-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000979578023 748070404 /nfs/dbraw/zinc/07/04/04/748070404.db2.gz LHLMNPNJXMTJJN-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2ncccn2)C1 ZINC001029758051 748270541 /nfs/dbraw/zinc/27/05/41/748270541.db2.gz PRULYFFJRZUBHY-SJORKVTESA-N 2 1 341.459 0.855 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098733384 749105467 /nfs/dbraw/zinc/10/54/67/749105467.db2.gz JGHIMXSNZHZCQM-WBVHZDCISA-N 2 1 344.463 0.506 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888746 749126645 /nfs/dbraw/zinc/12/66/45/749126645.db2.gz YWQLANONYVWGQZ-KSZLIROESA-N 2 1 333.476 0.947 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262659767 749222107 /nfs/dbraw/zinc/22/21/07/749222107.db2.gz MQBBYZOXFDACBD-UONOGXRCSA-N 2 1 345.513 0.189 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C(C)=O)CC1 ZINC000262819414 749847964 /nfs/dbraw/zinc/84/79/64/749847964.db2.gz XTRQSILCLFOSIC-OAHLLOKOSA-N 2 1 327.498 0.163 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncnn3C)[C@H]2C)CC1 ZINC000987575308 750977770 /nfs/dbraw/zinc/97/77/70/750977770.db2.gz JDFDKVQTADDPPF-ZBFHGGJFSA-N 2 1 344.463 0.239 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901721 751257906 /nfs/dbraw/zinc/25/79/06/751257906.db2.gz UABHPHKQPAVUOL-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901721 751257908 /nfs/dbraw/zinc/25/79/08/751257908.db2.gz UABHPHKQPAVUOL-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901721 751257912 /nfs/dbraw/zinc/25/79/12/751257912.db2.gz UABHPHKQPAVUOL-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001020928782 752349805 /nfs/dbraw/zinc/34/98/05/752349805.db2.gz LXXPOQYDXBPKGS-VGWMRTNUSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000938041490 752741985 /nfs/dbraw/zinc/74/19/85/752741985.db2.gz ZJAQALOJAABXJF-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000938041490 752741990 /nfs/dbraw/zinc/74/19/90/752741990.db2.gz ZJAQALOJAABXJF-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000938041490 752741992 /nfs/dbraw/zinc/74/19/92/752741992.db2.gz ZJAQALOJAABXJF-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000938041490 752741995 /nfs/dbraw/zinc/74/19/95/752741995.db2.gz ZJAQALOJAABXJF-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001028601757 753878691 /nfs/dbraw/zinc/87/86/91/753878691.db2.gz UUEMDESAYVSUQB-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028601757 753878698 /nfs/dbraw/zinc/87/86/98/753878698.db2.gz UUEMDESAYVSUQB-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001028601757 753878704 /nfs/dbraw/zinc/87/87/04/753878704.db2.gz UUEMDESAYVSUQB-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001028601757 753878711 /nfs/dbraw/zinc/87/87/11/753878711.db2.gz UUEMDESAYVSUQB-WMZOPIPTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@H]32)CC1 ZINC001021738728 757888046 /nfs/dbraw/zinc/88/80/46/757888046.db2.gz CVDGVNHFSIXPGZ-ZWKOTPCHSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC(N)=O)CC[C@H]32)CC1 ZINC001021739086 757889367 /nfs/dbraw/zinc/88/93/67/757889367.db2.gz GJYZMATUDTVUQQ-IAGOWNOFSA-N 2 1 346.475 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235069 758403241 /nfs/dbraw/zinc/40/32/41/758403241.db2.gz KSRAUHSTFANAMI-QRQLOZEOSA-N 2 1 345.487 0.758 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001022715728 759029288 /nfs/dbraw/zinc/02/92/88/759029288.db2.gz LAEWNBUMBFORSR-WCVJEAGWSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCCF)C[C@@H]2O)CC1 ZINC001047638457 759373937 /nfs/dbraw/zinc/37/39/37/759373937.db2.gz TWIYDBAYBMVKFG-HOTGVXAUSA-N 2 1 325.428 0.195 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccccn3)C2)CC1 ZINC001032205237 759611824 /nfs/dbraw/zinc/61/18/24/759611824.db2.gz SLYBUSGIEYEZEE-UHFFFAOYSA-N 2 1 326.444 0.975 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001054296869 767905286 /nfs/dbraw/zinc/90/52/86/767905286.db2.gz BOJTXVVLUGHWFW-BZUAXINKSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255783 768023014 /nfs/dbraw/zinc/02/30/14/768023014.db2.gz IPLNEDNCLUJSKB-OWCLPIDISA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046849943 763228195 /nfs/dbraw/zinc/22/81/95/763228195.db2.gz MNMVREYQIIOKGC-IBGZPJMESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046849943 763228202 /nfs/dbraw/zinc/22/82/02/763228202.db2.gz MNMVREYQIIOKGC-IBGZPJMESA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001051932865 763377405 /nfs/dbraw/zinc/37/74/05/763377405.db2.gz XATMTGSFQWKYCZ-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046926498 763398218 /nfs/dbraw/zinc/39/82/18/763398218.db2.gz PTHCCAQOVBHXDU-KGLIPLIRSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046926498 763398234 /nfs/dbraw/zinc/39/82/34/763398234.db2.gz PTHCCAQOVBHXDU-KGLIPLIRSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046926498 763398244 /nfs/dbraw/zinc/39/82/44/763398244.db2.gz PTHCCAQOVBHXDU-KGLIPLIRSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046926498 763398253 /nfs/dbraw/zinc/39/82/53/763398253.db2.gz PTHCCAQOVBHXDU-KGLIPLIRSA-N 2 1 329.391 0.414 20 30 ECEDMP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068441 763762524 /nfs/dbraw/zinc/76/25/24/763762524.db2.gz IYRCAUATKPZJDH-ZWKOTPCHSA-N 2 1 347.507 0.850 20 30 ECEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068441 763762529 /nfs/dbraw/zinc/76/25/29/763762529.db2.gz IYRCAUATKPZJDH-ZWKOTPCHSA-N 2 1 347.507 0.850 20 30 ECEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001047382081 764175268 /nfs/dbraw/zinc/17/52/68/764175268.db2.gz VWFRLCXRANOFHT-SZMVWBNQSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001047382081 764175276 /nfs/dbraw/zinc/17/52/76/764175276.db2.gz VWFRLCXRANOFHT-SZMVWBNQSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001047382081 764175284 /nfs/dbraw/zinc/17/52/84/764175284.db2.gz VWFRLCXRANOFHT-SZMVWBNQSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001047382081 764175290 /nfs/dbraw/zinc/17/52/90/764175290.db2.gz VWFRLCXRANOFHT-SZMVWBNQSA-N 2 1 333.476 0.778 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001047529905 764609201 /nfs/dbraw/zinc/60/92/01/764609201.db2.gz UNGULEWXJZGOOW-OALUTQOASA-N 2 1 343.471 0.931 20 30 ECEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001047529905 764609207 /nfs/dbraw/zinc/60/92/07/764609207.db2.gz UNGULEWXJZGOOW-OALUTQOASA-N 2 1 343.471 0.931 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047564875 764704536 /nfs/dbraw/zinc/70/45/36/764704536.db2.gz CKAHSABXILSLCB-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955204 764930596 /nfs/dbraw/zinc/93/05/96/764930596.db2.gz LUPSVRIZTLGMCF-GHPIQZFPSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955204 764930600 /nfs/dbraw/zinc/93/06/00/764930600.db2.gz LUPSVRIZTLGMCF-GHPIQZFPSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955204 764930607 /nfs/dbraw/zinc/93/06/07/764930607.db2.gz LUPSVRIZTLGMCF-GHPIQZFPSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)CC2)CC1 ZINC001052954519 765408850 /nfs/dbraw/zinc/40/88/50/765408850.db2.gz OSOKPDDFBHPCBG-WBVHZDCISA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112213 765929493 /nfs/dbraw/zinc/92/94/93/765929493.db2.gz YKNYIDSHFRDKGO-ZACQAIPSSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344083 768336600 /nfs/dbraw/zinc/33/66/00/768336600.db2.gz FSUMGIAVLIXNFA-JKSUJKDBSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)CC1 ZINC001016335850 766141469 /nfs/dbraw/zinc/14/14/69/766141469.db2.gz GJLQZCXJFKBRRK-SFHVURJKSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C)C2)CC1 ZINC001016335850 766141475 /nfs/dbraw/zinc/14/14/75/766141475.db2.gz GJLQZCXJFKBRRK-SFHVURJKSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335867 766141786 /nfs/dbraw/zinc/14/17/86/766141786.db2.gz GVCGZCKDSKXLHS-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335867 766141792 /nfs/dbraw/zinc/14/17/92/766141792.db2.gz GVCGZCKDSKXLHS-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014492 766647149 /nfs/dbraw/zinc/64/71/49/766647149.db2.gz YDUYRCVOXVNHJE-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014492 766647152 /nfs/dbraw/zinc/64/71/52/766647152.db2.gz YDUYRCVOXVNHJE-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014492 766647155 /nfs/dbraw/zinc/64/71/55/766647155.db2.gz YDUYRCVOXVNHJE-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014492 766647160 /nfs/dbraw/zinc/64/71/60/766647160.db2.gz YDUYRCVOXVNHJE-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034710 766716002 /nfs/dbraw/zinc/71/60/02/766716002.db2.gz XZRGOYAUBUZYSE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034710 766716009 /nfs/dbraw/zinc/71/60/09/766716009.db2.gz XZRGOYAUBUZYSE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034710 766716013 /nfs/dbraw/zinc/71/60/13/766716013.db2.gz XZRGOYAUBUZYSE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044580 766767889 /nfs/dbraw/zinc/76/78/89/766767889.db2.gz ZIGOFLCLTVOFPG-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044580 766767890 /nfs/dbraw/zinc/76/78/90/766767890.db2.gz ZIGOFLCLTVOFPG-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075921 766899601 /nfs/dbraw/zinc/89/96/01/766899601.db2.gz IHNNSQLLQFUYIZ-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075921 766899609 /nfs/dbraw/zinc/89/96/09/766899609.db2.gz IHNNSQLLQFUYIZ-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075921 766899620 /nfs/dbraw/zinc/89/96/20/766899620.db2.gz IHNNSQLLQFUYIZ-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087656 766930152 /nfs/dbraw/zinc/93/01/52/766930152.db2.gz YSUXPQLFJZUSOJ-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087656 766930154 /nfs/dbraw/zinc/93/01/54/766930154.db2.gz YSUXPQLFJZUSOJ-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087656 766930155 /nfs/dbraw/zinc/93/01/55/766930155.db2.gz YSUXPQLFJZUSOJ-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087656 766930158 /nfs/dbraw/zinc/93/01/58/766930158.db2.gz YSUXPQLFJZUSOJ-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031740837 766986924 /nfs/dbraw/zinc/98/69/24/766986924.db2.gz LMMMADOHAFVDBT-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031740837 766986930 /nfs/dbraw/zinc/98/69/30/766986930.db2.gz LMMMADOHAFVDBT-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CC4CC4)C3)C2)CC1 ZINC001054016512 767607296 /nfs/dbraw/zinc/60/72/96/767607296.db2.gz DODSXAWORYFPBX-KRWDZBQOSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144722 767740566 /nfs/dbraw/zinc/74/05/66/767740566.db2.gz CNDIWGKDSGDNOC-MJGOQNOKSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144722 767740570 /nfs/dbraw/zinc/74/05/70/767740570.db2.gz CNDIWGKDSGDNOC-MJGOQNOKSA-N 2 1 343.475 0.761 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001055539210 769055487 /nfs/dbraw/zinc/05/54/87/769055487.db2.gz RKEGZYUZTMGINB-UHFFFAOYSA-N 2 1 338.496 0.990 20 30 ECEDMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1)[NH+](C)C ZINC001055602160 769234874 /nfs/dbraw/zinc/23/48/74/769234874.db2.gz ROVXBHXYKHMTHQ-KRWDZBQOSA-N 2 1 348.491 0.437 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055631793 769303648 /nfs/dbraw/zinc/30/36/48/769303648.db2.gz KQNXJSCYOOOCDU-LSDHHAIUSA-N 2 1 349.479 0.185 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001018665302 769738162 /nfs/dbraw/zinc/73/81/62/769738162.db2.gz PLSDSZXJQYMHIQ-IRXDYDNUSA-N 2 1 328.416 0.579 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001018665302 769738172 /nfs/dbraw/zinc/73/81/72/769738172.db2.gz PLSDSZXJQYMHIQ-IRXDYDNUSA-N 2 1 328.416 0.579 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001019800379 771813407 /nfs/dbraw/zinc/81/34/07/771813407.db2.gz HYSRMPSYTYWTQR-STQMWFEESA-N 2 1 346.269 0.806 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800379 771813410 /nfs/dbraw/zinc/81/34/10/771813410.db2.gz HYSRMPSYTYWTQR-STQMWFEESA-N 2 1 346.269 0.806 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001020250733 772352423 /nfs/dbraw/zinc/35/24/23/772352423.db2.gz NOEUPONRCFYVDE-YDHLFZDLSA-N 2 1 348.472 0.986 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001020250733 772352428 /nfs/dbraw/zinc/35/24/28/772352428.db2.gz NOEUPONRCFYVDE-YDHLFZDLSA-N 2 1 348.472 0.986 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnon2)CC1 ZINC001045321242 775409362 /nfs/dbraw/zinc/40/93/62/775409362.db2.gz IKGTZKGGMNYFGW-INIZCTEOSA-N 2 1 331.420 0.495 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC001045672312 776011722 /nfs/dbraw/zinc/01/17/22/776011722.db2.gz AOOFVSLEUWUNCB-SJORKVTESA-N 2 1 349.475 0.064 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC001045672312 776011731 /nfs/dbraw/zinc/01/17/31/776011731.db2.gz AOOFVSLEUWUNCB-SJORKVTESA-N 2 1 349.475 0.064 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102486 790614435 /nfs/dbraw/zinc/61/44/35/790614435.db2.gz NFQPYHQYYWDVQM-SJORKVTESA-N 2 1 344.463 0.373 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273626 780949138 /nfs/dbraw/zinc/94/91/38/780949138.db2.gz HOWDZVNJGAGOLZ-IXDOHACOSA-N 2 1 331.460 0.511 20 30 ECEDMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077613177 781352564 /nfs/dbraw/zinc/35/25/64/781352564.db2.gz ZKOCDNXHAZTZLT-QZTJIDSGSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077613177 781352570 /nfs/dbraw/zinc/35/25/70/781352570.db2.gz ZKOCDNXHAZTZLT-QZTJIDSGSA-N 2 1 342.443 0.561 20 30 ECEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680610 781498212 /nfs/dbraw/zinc/49/82/12/781498212.db2.gz OVLQLFNVZXZAQH-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680610 781498215 /nfs/dbraw/zinc/49/82/15/781498215.db2.gz OVLQLFNVZXZAQH-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680610 781498223 /nfs/dbraw/zinc/49/82/23/781498223.db2.gz OVLQLFNVZXZAQH-CPUCHLNUSA-N 2 1 327.444 0.936 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224141 783693382 /nfs/dbraw/zinc/69/33/82/783693382.db2.gz PKLYFBUOKGZMOV-ZACQAIPSSA-N 2 1 344.463 0.373 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001070385243 783927656 /nfs/dbraw/zinc/92/76/56/783927656.db2.gz JHFCCRLDXDABMY-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070385243 783927660 /nfs/dbraw/zinc/92/76/60/783927660.db2.gz JHFCCRLDXDABMY-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070385243 783927664 /nfs/dbraw/zinc/92/76/64/783927664.db2.gz JHFCCRLDXDABMY-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070385243 783927669 /nfs/dbraw/zinc/92/76/69/783927669.db2.gz JHFCCRLDXDABMY-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070433797 784060259 /nfs/dbraw/zinc/06/02/59/784060259.db2.gz DRYPLDBOZUYHIE-CABCVRRESA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070433797 784060264 /nfs/dbraw/zinc/06/02/64/784060264.db2.gz DRYPLDBOZUYHIE-CABCVRRESA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070433797 784060274 /nfs/dbraw/zinc/06/02/74/784060274.db2.gz DRYPLDBOZUYHIE-CABCVRRESA-N 2 1 329.448 0.790 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001070970793 784271927 /nfs/dbraw/zinc/27/19/27/784271927.db2.gz YDEKTYIKJILJAI-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001070970793 784271930 /nfs/dbraw/zinc/27/19/30/784271930.db2.gz YDEKTYIKJILJAI-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071063254 784504428 /nfs/dbraw/zinc/50/44/28/784504428.db2.gz MFPGOBGLQMUINA-SQNIBIBYSA-N 2 1 349.475 0.062 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001071063254 784504433 /nfs/dbraw/zinc/50/44/33/784504433.db2.gz MFPGOBGLQMUINA-SQNIBIBYSA-N 2 1 349.475 0.062 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241490 784816314 /nfs/dbraw/zinc/81/63/14/784816314.db2.gz VZTXJCFEEHXEQY-MAUKXSAKSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241490 784816318 /nfs/dbraw/zinc/81/63/18/784816318.db2.gz VZTXJCFEEHXEQY-MAUKXSAKSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241491 784816372 /nfs/dbraw/zinc/81/63/72/784816372.db2.gz VZTXJCFEEHXEQY-QAPCUYQASA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241491 784816381 /nfs/dbraw/zinc/81/63/81/784816381.db2.gz VZTXJCFEEHXEQY-QAPCUYQASA-N 2 1 330.432 0.907 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740951 787094970 /nfs/dbraw/zinc/09/49/70/787094970.db2.gz MBABCOLCAWAIBC-IRXDYDNUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740951 787094977 /nfs/dbraw/zinc/09/49/77/787094977.db2.gz MBABCOLCAWAIBC-IRXDYDNUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740951 787094985 /nfs/dbraw/zinc/09/49/85/787094985.db2.gz MBABCOLCAWAIBC-IRXDYDNUSA-N 2 1 339.480 0.879 20 30 ECEDMP CC#CC[N@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746345 788701740 /nfs/dbraw/zinc/70/17/40/788701740.db2.gz IVWDBKAPMBOADZ-UHFFFAOYSA-N 2 1 329.448 0.616 20 30 ECEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)C1 ZINC001069838123 790069926 /nfs/dbraw/zinc/06/99/26/790069926.db2.gz NYEJBOGGKTZZIC-IAGOWNOFSA-N 2 1 341.459 0.594 20 30 ECEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)n2)C1 ZINC001069838124 790070392 /nfs/dbraw/zinc/07/03/92/790070392.db2.gz NYEJBOGGKTZZIC-IRXDYDNUSA-N 2 1 341.459 0.594 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cncc2C)C1 ZINC001267562234 837774528 /nfs/dbraw/zinc/77/45/28/837774528.db2.gz YVYFUSZYZKKFJA-CVEARBPZSA-N 2 1 347.463 0.710 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267562234 837774538 /nfs/dbraw/zinc/77/45/38/837774538.db2.gz YVYFUSZYZKKFJA-CVEARBPZSA-N 2 1 347.463 0.710 20 30 ECEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266325802 835703641 /nfs/dbraw/zinc/70/36/41/835703641.db2.gz SCCVOZVWNODGJV-MRXNPFEDSA-N 2 1 337.464 0.185 20 30 ECEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266325802 835703649 /nfs/dbraw/zinc/70/36/49/835703649.db2.gz SCCVOZVWNODGJV-MRXNPFEDSA-N 2 1 337.464 0.185 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H](CNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266441517 835846814 /nfs/dbraw/zinc/84/68/14/835846814.db2.gz GXNMUOFZODANSA-HZPDHXFCSA-N 2 1 345.447 0.463 20 30 ECEDMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520530 835934379 /nfs/dbraw/zinc/93/43/79/835934379.db2.gz OPDMBIOUALXQKO-JKSUJKDBSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520530 835934383 /nfs/dbraw/zinc/93/43/83/835934383.db2.gz OPDMBIOUALXQKO-JKSUJKDBSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266520530 835934388 /nfs/dbraw/zinc/93/43/88/835934388.db2.gz OPDMBIOUALXQKO-JKSUJKDBSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266520530 835934395 /nfs/dbraw/zinc/93/43/95/835934395.db2.gz OPDMBIOUALXQKO-JKSUJKDBSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520528 835934727 /nfs/dbraw/zinc/93/47/27/835934727.db2.gz OPDMBIOUALXQKO-HOTGVXAUSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001266520528 835934732 /nfs/dbraw/zinc/93/47/32/835934732.db2.gz OPDMBIOUALXQKO-HOTGVXAUSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266520528 835934742 /nfs/dbraw/zinc/93/47/42/835934742.db2.gz OPDMBIOUALXQKO-HOTGVXAUSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266520528 835934751 /nfs/dbraw/zinc/93/47/51/835934751.db2.gz OPDMBIOUALXQKO-HOTGVXAUSA-N 2 1 349.479 0.185 20 30 ECEDMP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266579291 836008989 /nfs/dbraw/zinc/00/89/89/836008989.db2.gz LXQXJOGTBXDSJG-MRXNPFEDSA-N 2 1 325.453 0.185 20 30 ECEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266579291 836008995 /nfs/dbraw/zinc/00/89/95/836008995.db2.gz LXQXJOGTBXDSJG-MRXNPFEDSA-N 2 1 325.453 0.185 20 30 ECEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266579291 836009009 /nfs/dbraw/zinc/00/90/09/836009009.db2.gz LXQXJOGTBXDSJG-MRXNPFEDSA-N 2 1 325.453 0.185 20 30 ECEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266579291 836009023 /nfs/dbraw/zinc/00/90/23/836009023.db2.gz LXQXJOGTBXDSJG-MRXNPFEDSA-N 2 1 325.453 0.185 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266751031 836242373 /nfs/dbraw/zinc/24/23/73/836242373.db2.gz ASLIIEBXAUWNML-HZPDHXFCSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751031 836242390 /nfs/dbraw/zinc/24/23/90/836242390.db2.gz ASLIIEBXAUWNML-HZPDHXFCSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751031 836242401 /nfs/dbraw/zinc/24/24/01/836242401.db2.gz ASLIIEBXAUWNML-HZPDHXFCSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266751057 836243377 /nfs/dbraw/zinc/24/33/77/836243377.db2.gz BBRGSVXFEDADSQ-DLBZAZTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266751057 836243383 /nfs/dbraw/zinc/24/33/83/836243383.db2.gz BBRGSVXFEDADSQ-DLBZAZTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266751057 836243392 /nfs/dbraw/zinc/24/33/92/836243392.db2.gz BBRGSVXFEDADSQ-DLBZAZTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001266915374 836474275 /nfs/dbraw/zinc/47/42/75/836474275.db2.gz GVRHGTBDPGXCMA-FHERZECASA-N 2 1 336.480 0.483 20 30 ECEDMP CN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000264084622 282380295 /nfs/dbraw/zinc/38/02/95/282380295.db2.gz IQTMPRWMJRVGQO-UHFFFAOYSA-N 2 1 333.480 0.745 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC#N ZINC000129734517 285282740 /nfs/dbraw/zinc/28/27/40/285282740.db2.gz KFBRHFRUDOADAA-HNNXBMFYSA-N 2 1 345.513 0.425 20 30 ECEDMP CC[N@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120654 436405757 /nfs/dbraw/zinc/40/57/57/436405757.db2.gz JZOANCYWCKWDAM-CYBMUJFWSA-N 2 1 325.457 0.819 20 30 ECEDMP CC[N@@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120654 436405759 /nfs/dbraw/zinc/40/57/59/436405759.db2.gz JZOANCYWCKWDAM-CYBMUJFWSA-N 2 1 325.457 0.819 20 30 ECEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261656269 436881686 /nfs/dbraw/zinc/88/16/86/436881686.db2.gz FLRUDBKXGFXSEG-CQSZACIVSA-N 2 1 347.467 0.128 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1-n1ccnc1 ZINC000170912402 436961164 /nfs/dbraw/zinc/96/11/64/436961164.db2.gz LGRKRMIINWTITO-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1 ZINC000264100403 437016854 /nfs/dbraw/zinc/01/68/54/437016854.db2.gz MSZJQLZOEMUYIX-AWEZNQCLSA-N 2 1 338.477 0.979 20 30 ECEDMP CN(C)C(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264125989 437017088 /nfs/dbraw/zinc/01/70/88/437017088.db2.gz WMLJVPLUQYUVBK-UHFFFAOYSA-N 2 1 347.463 0.515 20 30 ECEDMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000329348447 437355807 /nfs/dbraw/zinc/35/58/07/437355807.db2.gz SDODGAAMTQJYHE-UHFFFAOYSA-N 2 1 339.484 0.386 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343765359 437649640 /nfs/dbraw/zinc/64/96/40/437649640.db2.gz NCHRVQDVBXZLRF-KRWDZBQOSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478166 437659024 /nfs/dbraw/zinc/65/90/24/437659024.db2.gz AENGIXGRRBTQCH-JKSUJKDBSA-N 2 1 334.464 0.496 20 30 ECEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000331296419 437734900 /nfs/dbraw/zinc/73/49/00/437734900.db2.gz NBDCAUBMHQPLBL-GPANFISMSA-N 2 1 325.501 0.856 20 30 ECEDMP Cc1cc(N2CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC2)nc(C)[nH+]1 ZINC000566110825 439006895 /nfs/dbraw/zinc/00/68/95/439006895.db2.gz REZXFNZQAIXFHP-KRWDZBQOSA-N 2 1 346.479 0.858 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000491473582 439388616 /nfs/dbraw/zinc/38/86/16/439388616.db2.gz FPNLZXOQUQWAJP-UHFFFAOYSA-N 2 1 337.512 0.657 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 ZINC000584419593 439588502 /nfs/dbraw/zinc/58/85/02/439588502.db2.gz KNPFTNIEIWMQPO-KRWDZBQOSA-N 2 1 334.464 0.934 20 30 ECEDMP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000329790967 546034239 /nfs/dbraw/zinc/03/42/39/546034239.db2.gz DDVBZJWSUYZPCD-KGLIPLIRSA-N 2 1 325.457 0.137 20 30 ECEDMP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000329790967 546034242 /nfs/dbraw/zinc/03/42/42/546034242.db2.gz DDVBZJWSUYZPCD-KGLIPLIRSA-N 2 1 325.457 0.137 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000841071839 588977667 /nfs/dbraw/zinc/97/76/67/588977667.db2.gz RXGHHTGMZBJTBV-WBVHZDCISA-N 2 1 343.431 0.794 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595468 589342115 /nfs/dbraw/zinc/34/21/15/589342115.db2.gz HUMJBLNOLOJYAB-DLBZAZTESA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595468 589342117 /nfs/dbraw/zinc/34/21/17/589342117.db2.gz HUMJBLNOLOJYAB-DLBZAZTESA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595468 589342119 /nfs/dbraw/zinc/34/21/19/589342119.db2.gz HUMJBLNOLOJYAB-DLBZAZTESA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000854094600 589570877 /nfs/dbraw/zinc/57/08/77/589570877.db2.gz XJMGZBLTRMVHGQ-IAGOWNOFSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000854094600 589570879 /nfs/dbraw/zinc/57/08/79/589570879.db2.gz XJMGZBLTRMVHGQ-IAGOWNOFSA-N 2 1 348.491 0.884 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182715 590279262 /nfs/dbraw/zinc/27/92/62/590279262.db2.gz WNLMRPXTEXNBNG-GDBMZVCRSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875622549 590316460 /nfs/dbraw/zinc/31/64/60/590316460.db2.gz KBZWCNMACGMQEF-IAGOWNOFSA-N 3 1 337.512 0.322 20 30 ECEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000876748941 590408646 /nfs/dbraw/zinc/40/86/46/590408646.db2.gz JHEPLEYCWBYDOR-OLZOCXBDSA-N 2 1 330.860 0.515 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000888884946 590458354 /nfs/dbraw/zinc/45/83/54/590458354.db2.gz GBQCMBWFWHMKKX-SJORKVTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000888884946 590458356 /nfs/dbraw/zinc/45/83/56/590458356.db2.gz GBQCMBWFWHMKKX-SJORKVTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000888884946 590458357 /nfs/dbraw/zinc/45/83/57/590458357.db2.gz GBQCMBWFWHMKKX-SJORKVTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000888884946 590458358 /nfs/dbraw/zinc/45/83/58/590458358.db2.gz GBQCMBWFWHMKKX-SJORKVTESA-N 2 1 336.480 0.884 20 30 ECEDMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)C1 ZINC000884236274 590785857 /nfs/dbraw/zinc/78/58/57/590785857.db2.gz QEPWTCJUSIORGR-ISXWCOSWSA-N 2 1 345.491 0.364 20 30 ECEDMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)C1 ZINC000884236276 590786156 /nfs/dbraw/zinc/78/61/56/590786156.db2.gz QEPWTCJUSIORGR-VZDIDWBNSA-N 2 1 345.491 0.364 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000890368712 591152617 /nfs/dbraw/zinc/15/26/17/591152617.db2.gz MFURUJQTZYJWRM-IAGOWNOFSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000890368712 591152619 /nfs/dbraw/zinc/15/26/19/591152619.db2.gz MFURUJQTZYJWRM-IAGOWNOFSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)[C@@H](C)C2)CC1 ZINC000948071572 611408661 /nfs/dbraw/zinc/40/86/61/611408661.db2.gz ZANAMXTUCOPMAH-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000946796533 611485655 /nfs/dbraw/zinc/48/56/55/611485655.db2.gz LDLGHMQOIFGHPI-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000946796533 611485657 /nfs/dbraw/zinc/48/56/57/611485657.db2.gz LDLGHMQOIFGHPI-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000946796533 611485659 /nfs/dbraw/zinc/48/56/59/611485659.db2.gz LDLGHMQOIFGHPI-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000946796533 611485661 /nfs/dbraw/zinc/48/56/61/611485661.db2.gz LDLGHMQOIFGHPI-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[NH+](C2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000910886341 609773844 /nfs/dbraw/zinc/77/38/44/609773844.db2.gz SZTQWHBOASWWAM-UHFFFAOYSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000913988225 609840744 /nfs/dbraw/zinc/84/07/44/609840744.db2.gz HGHJHPDEDGZOQW-IYBDPMFKSA-N 2 1 336.480 0.883 20 30 ECEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCCn1ccnc1 ZINC000912499234 609962178 /nfs/dbraw/zinc/96/21/78/609962178.db2.gz NSBLDQRZTGDGMU-UHFFFAOYSA-N 2 1 336.484 0.939 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941440788 610316685 /nfs/dbraw/zinc/31/66/85/610316685.db2.gz RELSRIBWJMXZEU-IBGZPJMESA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941440788 610316687 /nfs/dbraw/zinc/31/66/87/610316687.db2.gz RELSRIBWJMXZEU-IBGZPJMESA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941440564 610316800 /nfs/dbraw/zinc/31/68/00/610316800.db2.gz NXWLLFFBQUHKDQ-SFHVURJKSA-N 2 1 330.476 0.322 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941440564 610316803 /nfs/dbraw/zinc/31/68/03/610316803.db2.gz NXWLLFFBQUHKDQ-SFHVURJKSA-N 2 1 330.476 0.322 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456801 610319005 /nfs/dbraw/zinc/31/90/05/610319005.db2.gz TZNIMLYLQYXSMY-HKUYNNGSSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456801 610319007 /nfs/dbraw/zinc/31/90/07/610319007.db2.gz TZNIMLYLQYXSMY-HKUYNNGSSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677428 610450460 /nfs/dbraw/zinc/45/04/60/610450460.db2.gz QSLSCSNLOZYQOL-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940962924 610468136 /nfs/dbraw/zinc/46/81/36/610468136.db2.gz YUGBGSCCNMFOEC-IAGOWNOFSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237410 610620827 /nfs/dbraw/zinc/62/08/27/610620827.db2.gz MVHFIIXDANVXTI-HOCLYGCPSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000941237571 610621177 /nfs/dbraw/zinc/62/11/77/610621177.db2.gz CIVFNAUPRRVJJH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000941237571 610621180 /nfs/dbraw/zinc/62/11/80/610621180.db2.gz CIVFNAUPRRVJJH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000941237571 610621183 /nfs/dbraw/zinc/62/11/83/610621183.db2.gz CIVFNAUPRRVJJH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000941237571 610621186 /nfs/dbraw/zinc/62/11/86/610621186.db2.gz CIVFNAUPRRVJJH-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000923406098 611239715 /nfs/dbraw/zinc/23/97/15/611239715.db2.gz WLPVKGZSPAGNNR-INIZCTEOSA-N 2 1 349.479 0.065 20 30 ECEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471304 611991892 /nfs/dbraw/zinc/99/18/92/611991892.db2.gz XCKZFXRECOYCMU-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471304 611991893 /nfs/dbraw/zinc/99/18/93/611991893.db2.gz XCKZFXRECOYCMU-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000952049166 612201782 /nfs/dbraw/zinc/20/17/82/612201782.db2.gz MAIKQRFBNIMGNV-ULQDDVLXSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000952049166 612201783 /nfs/dbraw/zinc/20/17/83/612201783.db2.gz MAIKQRFBNIMGNV-ULQDDVLXSA-N 2 1 348.491 0.531 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167235852 733081151 /nfs/dbraw/zinc/08/11/51/733081151.db2.gz AWYKDXGDFCKHCZ-HUUCEWRRSA-N 2 1 336.480 0.362 20 30 ECEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH+](CC#CCOC)CCO)CC1 ZINC001098540281 733830042 /nfs/dbraw/zinc/83/00/42/733830042.db2.gz ARQINRLMGOCGNB-UHFFFAOYSA-N 2 1 339.480 0.263 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCC([N@@H+](CC#CCOC)CCO)CC1 ZINC001098540281 733830043 /nfs/dbraw/zinc/83/00/43/733830043.db2.gz ARQINRLMGOCGNB-UHFFFAOYSA-N 2 1 339.480 0.263 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCC([N@H+](CC#CCOC)CCO)CC1 ZINC001098540281 733830047 /nfs/dbraw/zinc/83/00/47/733830047.db2.gz ARQINRLMGOCGNB-UHFFFAOYSA-N 2 1 339.480 0.263 20 30 ECEDMP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)C1 ZINC000971271043 734414729 /nfs/dbraw/zinc/41/47/29/734414729.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 1 348.472 0.983 20 30 ECEDMP CN(Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000971271043 734414732 /nfs/dbraw/zinc/41/47/32/734414732.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 1 348.472 0.983 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104354025 734611585 /nfs/dbraw/zinc/61/15/85/734611585.db2.gz OXDQLRZWUJKLAK-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221260 734798610 /nfs/dbraw/zinc/79/86/10/734798610.db2.gz SMVGKFQZBMSTSG-DLBZAZTESA-N 2 1 347.463 0.546 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676594 734940856 /nfs/dbraw/zinc/94/08/56/734940856.db2.gz GBEYKZUTTCBUHY-CVEARBPZSA-N 2 1 348.491 0.790 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001024022299 737627115 /nfs/dbraw/zinc/62/71/15/737627115.db2.gz SVKJXOOXBZIXHD-SJORKVTESA-N 2 1 341.459 0.902 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001024022299 737627120 /nfs/dbraw/zinc/62/71/20/737627120.db2.gz SVKJXOOXBZIXHD-SJORKVTESA-N 2 1 341.459 0.902 20 30 ECEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560673 738107301 /nfs/dbraw/zinc/10/73/01/738107301.db2.gz HXESSOUBRRBMIZ-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560673 738107304 /nfs/dbraw/zinc/10/73/04/738107304.db2.gz HXESSOUBRRBMIZ-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560673 738107307 /nfs/dbraw/zinc/10/73/07/738107307.db2.gz HXESSOUBRRBMIZ-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000973410794 739223773 /nfs/dbraw/zinc/22/37/73/739223773.db2.gz PRSAOHWMDLFKQF-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000973410794 739223777 /nfs/dbraw/zinc/22/37/77/739223777.db2.gz PRSAOHWMDLFKQF-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000973410794 739223782 /nfs/dbraw/zinc/22/37/82/739223782.db2.gz PRSAOHWMDLFKQF-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000973410794 739223791 /nfs/dbraw/zinc/22/37/91/739223791.db2.gz PRSAOHWMDLFKQF-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083280806 739436145 /nfs/dbraw/zinc/43/61/45/739436145.db2.gz HPGHGJANQGJFIF-BBWFWOEESA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083280806 739436146 /nfs/dbraw/zinc/43/61/46/739436146.db2.gz HPGHGJANQGJFIF-BBWFWOEESA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280806 739436149 /nfs/dbraw/zinc/43/61/49/739436149.db2.gz HPGHGJANQGJFIF-BBWFWOEESA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280806 739436153 /nfs/dbraw/zinc/43/61/53/739436153.db2.gz HPGHGJANQGJFIF-BBWFWOEESA-N 2 1 337.464 0.585 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679176 739462215 /nfs/dbraw/zinc/46/22/15/739462215.db2.gz HDMOGJLVLWVTOP-GVDBMIGSSA-N 2 1 348.491 0.152 20 30 ECEDMP COC(=O)Cc1cc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1C#N ZINC001167879058 751516108 /nfs/dbraw/zinc/51/61/08/751516108.db2.gz XPTNWEXWOSODCQ-UHFFFAOYSA-N 2 1 338.799 0.997 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000974265605 741197365 /nfs/dbraw/zinc/19/73/65/741197365.db2.gz QGIBPQSFWSYQRD-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000974265605 741197368 /nfs/dbraw/zinc/19/73/68/741197368.db2.gz QGIBPQSFWSYQRD-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000974265605 741197373 /nfs/dbraw/zinc/19/73/73/741197373.db2.gz QGIBPQSFWSYQRD-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000974265605 741197377 /nfs/dbraw/zinc/19/73/77/741197377.db2.gz QGIBPQSFWSYQRD-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105064165 741272906 /nfs/dbraw/zinc/27/29/06/741272906.db2.gz AJOUBBUTMSBXEV-HZPDHXFCSA-N 2 1 336.480 0.150 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001026959010 742182409 /nfs/dbraw/zinc/18/24/09/742182409.db2.gz YOJIWYJVXCYGGZ-JKSUJKDBSA-N 2 1 345.447 0.417 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001026959007 742182591 /nfs/dbraw/zinc/18/25/91/742182591.db2.gz YOJIWYJVXCYGGZ-CVEARBPZSA-N 2 1 345.447 0.417 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001020512328 751736397 /nfs/dbraw/zinc/73/63/97/751736397.db2.gz WRMZRULLPJZFIZ-QUSNUVHPSA-N 2 1 348.491 0.740 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000983391683 742936788 /nfs/dbraw/zinc/93/67/88/742936788.db2.gz PSOATCNTUVTUSO-BZSNNMDCSA-N 2 1 342.443 0.873 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000983391683 742936789 /nfs/dbraw/zinc/93/67/89/742936789.db2.gz PSOATCNTUVTUSO-BZSNNMDCSA-N 2 1 342.443 0.873 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000997611736 743708198 /nfs/dbraw/zinc/70/81/98/743708198.db2.gz GOKSEBYDXVPZDB-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000997611737 743708450 /nfs/dbraw/zinc/70/84/50/743708450.db2.gz GOKSEBYDXVPZDB-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998923948 744408287 /nfs/dbraw/zinc/40/82/87/744408287.db2.gz ZVJHAEKNKUCLHC-PREGVCBESA-N 2 1 329.448 0.597 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998923948 744408289 /nfs/dbraw/zinc/40/82/89/744408289.db2.gz ZVJHAEKNKUCLHC-PREGVCBESA-N 2 1 329.448 0.597 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000999393066 744672908 /nfs/dbraw/zinc/67/29/08/744672908.db2.gz VNXFKXDJPZPAHY-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000999393066 744672910 /nfs/dbraw/zinc/67/29/10/744672910.db2.gz VNXFKXDJPZPAHY-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960094 745101579 /nfs/dbraw/zinc/10/15/79/745101579.db2.gz BMQZNIDWYWLSEC-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960094 745101580 /nfs/dbraw/zinc/10/15/80/745101580.db2.gz BMQZNIDWYWLSEC-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960094 745101584 /nfs/dbraw/zinc/10/15/84/745101584.db2.gz BMQZNIDWYWLSEC-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961202 745104140 /nfs/dbraw/zinc/10/41/40/745104140.db2.gz IHGIIRNLPCHRIU-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961202 745104141 /nfs/dbraw/zinc/10/41/41/745104141.db2.gz IHGIIRNLPCHRIU-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961202 745104146 /nfs/dbraw/zinc/10/41/46/745104146.db2.gz IHGIIRNLPCHRIU-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985328 745138605 /nfs/dbraw/zinc/13/86/05/745138605.db2.gz BFNHIHQGKXTCLO-DJIMGWMZSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985328 745138608 /nfs/dbraw/zinc/13/86/08/745138608.db2.gz BFNHIHQGKXTCLO-DJIMGWMZSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985328 745138610 /nfs/dbraw/zinc/13/86/10/745138610.db2.gz BFNHIHQGKXTCLO-DJIMGWMZSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995248 745154672 /nfs/dbraw/zinc/15/46/72/745154672.db2.gz FUGBOXWKRQLYGX-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995248 745154673 /nfs/dbraw/zinc/15/46/73/745154673.db2.gz FUGBOXWKRQLYGX-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995248 745154675 /nfs/dbraw/zinc/15/46/75/745154675.db2.gz FUGBOXWKRQLYGX-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650293 745338723 /nfs/dbraw/zinc/33/87/23/745338723.db2.gz CHKQHIOXBGYUMF-GOEBONIOSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650293 745338729 /nfs/dbraw/zinc/33/87/29/745338729.db2.gz CHKQHIOXBGYUMF-GOEBONIOSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551147 746419708 /nfs/dbraw/zinc/41/97/08/746419708.db2.gz DEMGKBITHQZLQR-PIMZTRDMSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551147 746419710 /nfs/dbraw/zinc/41/97/10/746419710.db2.gz DEMGKBITHQZLQR-PIMZTRDMSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551147 746419713 /nfs/dbraw/zinc/41/97/13/746419713.db2.gz DEMGKBITHQZLQR-PIMZTRDMSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001001493163 746431199 /nfs/dbraw/zinc/43/11/99/746431199.db2.gz XARODYOTDZCALW-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001001493163 746431201 /nfs/dbraw/zinc/43/12/01/746431201.db2.gz XARODYOTDZCALW-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681703 746799787 /nfs/dbraw/zinc/79/97/87/746799787.db2.gz AWFOCZSSKYPBCW-IRXDYDNUSA-N 2 1 348.491 0.792 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087993877 746955792 /nfs/dbraw/zinc/95/57/92/746955792.db2.gz IGTGLGGOCXCPQZ-FGTMMUONSA-N 2 1 343.475 0.617 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087993877 746955795 /nfs/dbraw/zinc/95/57/95/746955795.db2.gz IGTGLGGOCXCPQZ-FGTMMUONSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001002473008 747401731 /nfs/dbraw/zinc/40/17/31/747401731.db2.gz IKHJIKPXWPPNFN-QGZVFWFLSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003054795 748122687 /nfs/dbraw/zinc/12/26/87/748122687.db2.gz AIGDSFMDTODOLI-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003054795 748122692 /nfs/dbraw/zinc/12/26/92/748122692.db2.gz AIGDSFMDTODOLI-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cncn2C)CC1 ZINC000985472993 748206148 /nfs/dbraw/zinc/20/61/48/748206148.db2.gz DDNWEBGWKGKVIB-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cncn2C)CC1 ZINC000985472993 748206152 /nfs/dbraw/zinc/20/61/52/748206152.db2.gz DDNWEBGWKGKVIB-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cncn2C)CC1 ZINC000985472993 748206154 /nfs/dbraw/zinc/20/61/54/748206154.db2.gz DDNWEBGWKGKVIB-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cncn2C)CC1 ZINC000985472993 748206160 /nfs/dbraw/zinc/20/61/60/748206160.db2.gz DDNWEBGWKGKVIB-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001003628972 748742438 /nfs/dbraw/zinc/74/24/38/748742438.db2.gz VRXBOWIDRICGGN-DOTOQJQBSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004460154 749527201 /nfs/dbraw/zinc/52/72/01/749527201.db2.gz XNULALKNDTVKFE-ROUUACIJSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004460154 749527204 /nfs/dbraw/zinc/52/72/04/749527204.db2.gz XNULALKNDTVKFE-ROUUACIJSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004460154 749527206 /nfs/dbraw/zinc/52/72/06/749527206.db2.gz XNULALKNDTVKFE-ROUUACIJSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004460154 749527208 /nfs/dbraw/zinc/52/72/08/749527208.db2.gz XNULALKNDTVKFE-ROUUACIJSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001006314491 751234141 /nfs/dbraw/zinc/23/41/41/751234141.db2.gz LNNCJTXJHVMJKZ-OIISXLGYSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901159 751257082 /nfs/dbraw/zinc/25/70/82/751257082.db2.gz CKSIZOFQZUCWDC-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901159 751257088 /nfs/dbraw/zinc/25/70/88/751257088.db2.gz CKSIZOFQZUCWDC-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)CC1 ZINC001028333809 752413120 /nfs/dbraw/zinc/41/31/20/752413120.db2.gz RHQRJYKTFDJKOD-IAGOWNOFSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001105375856 753833188 /nfs/dbraw/zinc/83/31/88/753833188.db2.gz RYQKCWXSKRHJCV-INIZCTEOSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001105375856 753833193 /nfs/dbraw/zinc/83/31/93/753833193.db2.gz RYQKCWXSKRHJCV-INIZCTEOSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1C ZINC001088762923 755596180 /nfs/dbraw/zinc/59/61/80/755596180.db2.gz COXJUZQTQKMRTH-NCOADZHNSA-N 2 1 337.464 0.631 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@H]12 ZINC000990737021 755801595 /nfs/dbraw/zinc/80/15/95/755801595.db2.gz FVEBHKHBXFENBX-WMZOPIPTSA-N 2 1 329.448 0.805 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC001076605728 756724752 /nfs/dbraw/zinc/72/47/52/756724752.db2.gz PSJKAWDPLGSCFS-BPQIPLTHSA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1=O ZINC001049217040 758350205 /nfs/dbraw/zinc/35/02/05/758350205.db2.gz JPTGSSIVLOVREP-BBWFWOEESA-N 2 1 346.475 0.259 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2OC)C1 ZINC001022220823 758441891 /nfs/dbraw/zinc/44/18/91/758441891.db2.gz RJQNWUVDWFDSNN-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2OC)C1 ZINC001022220823 758441894 /nfs/dbraw/zinc/44/18/94/758441894.db2.gz RJQNWUVDWFDSNN-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127779567 758625562 /nfs/dbraw/zinc/62/55/62/758625562.db2.gz OFMSMSLPAHCPMV-DOMZBBRYSA-N 2 1 334.445 0.689 20 30 ECEDMP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779616 758627566 /nfs/dbraw/zinc/62/75/66/758627566.db2.gz OZBCAXFMNNDFOI-DOTOQJQBSA-N 2 1 346.406 0.766 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCCn2cc[nH+]c2C)C1=O ZINC001168368955 758853831 /nfs/dbraw/zinc/85/38/31/758853831.db2.gz IUVVXLQQFKMLPI-MRXNPFEDSA-N 2 1 347.463 0.855 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047636104 759365720 /nfs/dbraw/zinc/36/57/20/759365720.db2.gz MJLVUOGEZDJWQW-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047636104 759365731 /nfs/dbraw/zinc/36/57/31/759365731.db2.gz MJLVUOGEZDJWQW-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246196 768010524 /nfs/dbraw/zinc/01/05/24/768010524.db2.gz IBLSYEFASOZTCS-ZACQAIPSSA-N 2 1 331.464 0.521 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046850557 763229957 /nfs/dbraw/zinc/22/99/57/763229957.db2.gz WICKMQZTNGOHRB-IBGZPJMESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046948318 763440539 /nfs/dbraw/zinc/44/05/39/763440539.db2.gz GFNXFOVXBVMLGY-RBSFLKMASA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046948318 763440545 /nfs/dbraw/zinc/44/05/45/763440545.db2.gz GFNXFOVXBVMLGY-RBSFLKMASA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948318 763440553 /nfs/dbraw/zinc/44/05/53/763440553.db2.gz GFNXFOVXBVMLGY-RBSFLKMASA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948318 763440559 /nfs/dbraw/zinc/44/05/59/763440559.db2.gz GFNXFOVXBVMLGY-RBSFLKMASA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046995377 763534297 /nfs/dbraw/zinc/53/42/97/763534297.db2.gz IOCVCPOQRYCMRJ-LSDHHAIUSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995377 763534302 /nfs/dbraw/zinc/53/43/02/763534302.db2.gz IOCVCPOQRYCMRJ-LSDHHAIUSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995377 763534308 /nfs/dbraw/zinc/53/43/08/763534308.db2.gz IOCVCPOQRYCMRJ-LSDHHAIUSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995377 763534311 /nfs/dbraw/zinc/53/43/11/763534311.db2.gz IOCVCPOQRYCMRJ-LSDHHAIUSA-N 2 1 343.418 0.804 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322427 768146990 /nfs/dbraw/zinc/14/69/90/768146990.db2.gz OKAKLIBXTNKBAT-OAGGEKHMSA-N 2 1 336.480 0.457 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001031926304 763613476 /nfs/dbraw/zinc/61/34/76/763613476.db2.gz ZAUWIESXAKSORM-BHYGNILZSA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001031926304 763613481 /nfs/dbraw/zinc/61/34/81/763613481.db2.gz ZAUWIESXAKSORM-BHYGNILZSA-N 2 1 348.491 0.552 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031062 763630859 /nfs/dbraw/zinc/63/08/59/763630859.db2.gz DGBOICIXNMEKLQ-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031403 763632076 /nfs/dbraw/zinc/63/20/76/763632076.db2.gz NBZMXWCHGZYDQO-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031403 763632081 /nfs/dbraw/zinc/63/20/81/763632081.db2.gz NBZMXWCHGZYDQO-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040722 763664193 /nfs/dbraw/zinc/66/41/93/763664193.db2.gz GEMQNHGMXQWYAB-DLBZAZTESA-N 2 1 333.480 0.603 20 30 ECEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040722 763664196 /nfs/dbraw/zinc/66/41/96/763664196.db2.gz GEMQNHGMXQWYAB-DLBZAZTESA-N 2 1 333.480 0.603 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068662 763763016 /nfs/dbraw/zinc/76/30/16/763763016.db2.gz MBAUWIQWTDMABE-RBUKOAKNSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068662 763763024 /nfs/dbraw/zinc/76/30/24/763763024.db2.gz MBAUWIQWTDMABE-RBUKOAKNSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071539 763772399 /nfs/dbraw/zinc/77/23/99/763772399.db2.gz VIKFTSFNYYHUGR-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052105817 763877396 /nfs/dbraw/zinc/87/73/96/763877396.db2.gz QPHOXTJXTJRDOW-GOSISDBHSA-N 2 1 347.507 0.849 20 30 ECEDMP C=C(C)CN1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777549 764103582 /nfs/dbraw/zinc/10/35/82/764103582.db2.gz BAQUVKYQNOXSLY-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777549 764103599 /nfs/dbraw/zinc/10/35/99/764103599.db2.gz BAQUVKYQNOXSLY-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777549 764103604 /nfs/dbraw/zinc/10/36/04/764103604.db2.gz BAQUVKYQNOXSLY-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777549 764103613 /nfs/dbraw/zinc/10/36/13/764103613.db2.gz BAQUVKYQNOXSLY-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001052954557 765410880 /nfs/dbraw/zinc/41/08/80/765410880.db2.gz OXDISGJRXMETKL-GOEBONIOSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)CC2)CC1 ZINC001052957490 765412974 /nfs/dbraw/zinc/41/29/74/765412974.db2.gz FRSXXYGYNJRIEV-QGZVFWFLSA-N 2 1 348.491 0.391 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001031674802 766428864 /nfs/dbraw/zinc/42/88/64/766428864.db2.gz PQTUPFHTNQFOQN-SJORKVTESA-N 2 1 346.475 0.163 20 30 ECEDMP COCC#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212253257 766488057 /nfs/dbraw/zinc/48/80/57/766488057.db2.gz APOLCHLWHVFQPJ-IXDOHACOSA-N 2 1 337.464 0.324 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029975 766695852 /nfs/dbraw/zinc/69/58/52/766695852.db2.gz HDILDOQODPLFLE-MSOLQXFVSA-N 2 1 330.476 0.180 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030172 766696715 /nfs/dbraw/zinc/69/67/15/766696715.db2.gz KZDHAEOMOGXYNU-ROUUACIJSA-N 2 1 332.492 0.733 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106903609 766789438 /nfs/dbraw/zinc/78/94/38/766789438.db2.gz BWKFOYXQGIYLJY-HZPDHXFCSA-N 2 1 338.496 0.705 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054099 766799601 /nfs/dbraw/zinc/79/96/01/766799601.db2.gz JGBPQESGRRKSJO-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054099 766799603 /nfs/dbraw/zinc/79/96/03/766799603.db2.gz JGBPQESGRRKSJO-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054099 766799605 /nfs/dbraw/zinc/79/96/05/766799605.db2.gz JGBPQESGRRKSJO-FHWLQOOXSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741454 766829170 /nfs/dbraw/zinc/82/91/70/766829170.db2.gz XABQLGOFBCYVAE-YJTLQXIOSA-N 2 1 329.444 0.454 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064495 766844939 /nfs/dbraw/zinc/84/49/39/766844939.db2.gz OPXYHNLBAWDUTN-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064495 766844947 /nfs/dbraw/zinc/84/49/47/766844947.db2.gz OPXYHNLBAWDUTN-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064495 766844955 /nfs/dbraw/zinc/84/49/55/766844955.db2.gz OPXYHNLBAWDUTN-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064840 766847523 /nfs/dbraw/zinc/84/75/23/766847523.db2.gz WHSVYYYWWIEWDE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064840 766847531 /nfs/dbraw/zinc/84/75/31/766847531.db2.gz WHSVYYYWWIEWDE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064840 766847540 /nfs/dbraw/zinc/84/75/40/766847540.db2.gz WHSVYYYWWIEWDE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077457 766907432 /nfs/dbraw/zinc/90/74/32/766907432.db2.gz WLLLLGOKYGDUCB-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077457 766907437 /nfs/dbraw/zinc/90/74/37/766907437.db2.gz WLLLLGOKYGDUCB-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077457 766907443 /nfs/dbraw/zinc/90/74/43/766907443.db2.gz WLLLLGOKYGDUCB-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260297 766927323 /nfs/dbraw/zinc/92/73/23/766927323.db2.gz AYIPGNWUCBUKRN-IRXDYDNUSA-N 2 1 348.491 0.767 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905571 766947078 /nfs/dbraw/zinc/94/70/78/766947078.db2.gz WYPGTVKXWXHPOP-HZPDHXFCSA-N 2 1 336.480 0.152 20 30 ECEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055575274 769161167 /nfs/dbraw/zinc/16/11/67/769161167.db2.gz PWGHOHDEMIMVBR-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001018665301 769738471 /nfs/dbraw/zinc/73/84/71/769738471.db2.gz PLSDSZXJQYMHIQ-DLBZAZTESA-N 2 1 328.416 0.579 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001018665301 769738478 /nfs/dbraw/zinc/73/84/78/769738478.db2.gz PLSDSZXJQYMHIQ-DLBZAZTESA-N 2 1 328.416 0.579 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001020302799 772418199 /nfs/dbraw/zinc/41/81/99/772418199.db2.gz SRCOCCSXCJVHSH-YHUYYLMFSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnn(C)n2)CC1 ZINC001045321433 775409238 /nfs/dbraw/zinc/40/92/38/775409238.db2.gz QFMZESFXNJCGAZ-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001080009202 777222870 /nfs/dbraw/zinc/22/28/70/777222870.db2.gz URKRYHCDSNJEGL-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001080009202 777222874 /nfs/dbraw/zinc/22/28/74/777222874.db2.gz URKRYHCDSNJEGL-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001080009202 777222878 /nfs/dbraw/zinc/22/28/78/777222878.db2.gz URKRYHCDSNJEGL-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001080009202 777222880 /nfs/dbraw/zinc/22/28/80/777222880.db2.gz URKRYHCDSNJEGL-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070413208 784009029 /nfs/dbraw/zinc/00/90/29/784009029.db2.gz WQGSJDMJMDBMFT-IJEWVQPXSA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070413208 784009036 /nfs/dbraw/zinc/00/90/36/784009036.db2.gz WQGSJDMJMDBMFT-IJEWVQPXSA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070413208 784009043 /nfs/dbraw/zinc/00/90/43/784009043.db2.gz WQGSJDMJMDBMFT-IJEWVQPXSA-N 2 1 345.447 0.168 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070413208 784009053 /nfs/dbraw/zinc/00/90/53/784009053.db2.gz WQGSJDMJMDBMFT-IJEWVQPXSA-N 2 1 345.447 0.168 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070434120 784061897 /nfs/dbraw/zinc/06/18/97/784061897.db2.gz MUIJMSQSJFTNCJ-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070434120 784061901 /nfs/dbraw/zinc/06/19/01/784061901.db2.gz MUIJMSQSJFTNCJ-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070434120 784061906 /nfs/dbraw/zinc/06/19/06/784061906.db2.gz MUIJMSQSJFTNCJ-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070434120 784061914 /nfs/dbraw/zinc/06/19/14/784061914.db2.gz MUIJMSQSJFTNCJ-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689635 784555788 /nfs/dbraw/zinc/55/57/88/784555788.db2.gz ILYROYIRYLROEB-BZUAXINKSA-N 2 1 329.448 0.422 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660510 786902380 /nfs/dbraw/zinc/90/23/80/786902380.db2.gz GRMNJYYUOPIGKI-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660510 786902383 /nfs/dbraw/zinc/90/23/83/786902383.db2.gz GRMNJYYUOPIGKI-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660510 786902389 /nfs/dbraw/zinc/90/23/89/786902389.db2.gz GRMNJYYUOPIGKI-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660510 786902395 /nfs/dbraw/zinc/90/23/95/786902395.db2.gz GRMNJYYUOPIGKI-BZUAXINKSA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700390 786999707 /nfs/dbraw/zinc/99/97/07/786999707.db2.gz KTTOKGGWJDXERA-DHADLLTHSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700390 786999710 /nfs/dbraw/zinc/99/97/10/786999710.db2.gz KTTOKGGWJDXERA-DHADLLTHSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700390 786999713 /nfs/dbraw/zinc/99/97/13/786999713.db2.gz KTTOKGGWJDXERA-DHADLLTHSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896361 787466172 /nfs/dbraw/zinc/46/61/72/787466172.db2.gz QJOXVKJYXLFTEX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896361 787466176 /nfs/dbraw/zinc/46/61/76/787466176.db2.gz QJOXVKJYXLFTEX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896361 787466179 /nfs/dbraw/zinc/46/61/79/787466179.db2.gz QJOXVKJYXLFTEX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896361 787466184 /nfs/dbraw/zinc/46/61/84/787466184.db2.gz QJOXVKJYXLFTEX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)C1 ZINC001072811693 788858648 /nfs/dbraw/zinc/85/86/48/788858648.db2.gz BPPHTWKEGGSOLP-QGZVFWFLSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC001072811693 788858658 /nfs/dbraw/zinc/85/86/58/788858658.db2.gz BPPHTWKEGGSOLP-QGZVFWFLSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC001072811693 788858668 /nfs/dbraw/zinc/85/86/68/788858668.db2.gz BPPHTWKEGGSOLP-QGZVFWFLSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969458 790257558 /nfs/dbraw/zinc/25/75/58/790257558.db2.gz WZIDBTAVHYDPGL-CVEARBPZSA-N 2 1 342.447 0.271 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969458 790257562 /nfs/dbraw/zinc/25/75/62/790257562.db2.gz WZIDBTAVHYDPGL-CVEARBPZSA-N 2 1 342.447 0.271 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326058 835703258 /nfs/dbraw/zinc/70/32/58/835703258.db2.gz XDVRTURILJGYFJ-JKSUJKDBSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326058 835703265 /nfs/dbraw/zinc/70/32/65/835703265.db2.gz XDVRTURILJGYFJ-JKSUJKDBSA-N 2 1 348.491 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)CC(=O)N(C)C(C)C ZINC001266393839 835801167 /nfs/dbraw/zinc/80/11/67/835801167.db2.gz AGAMQRLDQXFEDF-INIZCTEOSA-N 2 1 336.480 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)CC(=O)N(C)C(C)C ZINC001266393839 835801176 /nfs/dbraw/zinc/80/11/76/835801176.db2.gz AGAMQRLDQXFEDF-INIZCTEOSA-N 2 1 336.480 0.389 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001266556495 835983504 /nfs/dbraw/zinc/98/35/04/835983504.db2.gz PGKIBGUOWRIEBD-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCC)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001266556495 835983512 /nfs/dbraw/zinc/98/35/12/835983512.db2.gz PGKIBGUOWRIEBD-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCC)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001266556495 835983524 /nfs/dbraw/zinc/98/35/24/835983524.db2.gz PGKIBGUOWRIEBD-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266735657 836217554 /nfs/dbraw/zinc/21/75/54/836217554.db2.gz QYUVVSRJYHVQNH-SOLBZPMBSA-N 2 1 344.459 0.828 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266797664 836319079 /nfs/dbraw/zinc/31/90/79/836319079.db2.gz FPFKXLFXQISHGZ-JKSUJKDBSA-N 2 1 347.463 0.710 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274236 837117380 /nfs/dbraw/zinc/11/73/80/837117380.db2.gz MELYDFYXHSRBBI-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267592737 837886511 /nfs/dbraw/zinc/88/65/11/837886511.db2.gz XLJFSOZGGJUFKX-KRWDZBQOSA-N 2 1 337.464 0.139 20 30 ECEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267592737 837886526 /nfs/dbraw/zinc/88/65/26/837886526.db2.gz XLJFSOZGGJUFKX-KRWDZBQOSA-N 2 1 337.464 0.139 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267603876 837932765 /nfs/dbraw/zinc/93/27/65/837932765.db2.gz FMZQKVBMMHEIFS-INIZCTEOSA-N 2 1 338.496 0.799 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001267606493 837946282 /nfs/dbraw/zinc/94/62/82/837946282.db2.gz JNNZRJGDAYGGJI-PVAVHDDUSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001267606493 837946284 /nfs/dbraw/zinc/94/62/84/837946284.db2.gz JNNZRJGDAYGGJI-PVAVHDDUSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267659268 838179740 /nfs/dbraw/zinc/17/97/40/838179740.db2.gz YGGPXTJECKJTMK-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267659268 838179745 /nfs/dbraw/zinc/17/97/45/838179745.db2.gz YGGPXTJECKJTMK-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267659268 838179749 /nfs/dbraw/zinc/17/97/49/838179749.db2.gz YGGPXTJECKJTMK-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767718 838505629 /nfs/dbraw/zinc/50/56/29/838505629.db2.gz QWJYHRGAOZKGRK-ZBFHGGJFSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267767718 838505632 /nfs/dbraw/zinc/50/56/32/838505632.db2.gz QWJYHRGAOZKGRK-ZBFHGGJFSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267767718 838505634 /nfs/dbraw/zinc/50/56/34/838505634.db2.gz QWJYHRGAOZKGRK-ZBFHGGJFSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767718 838505635 /nfs/dbraw/zinc/50/56/35/838505635.db2.gz QWJYHRGAOZKGRK-ZBFHGGJFSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001267924277 838802320 /nfs/dbraw/zinc/80/23/20/838802320.db2.gz HKPISNYNHYGEMQ-LUKYLMHMSA-N 2 1 348.491 0.483 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001268083594 839284151 /nfs/dbraw/zinc/28/41/51/839284151.db2.gz ACCNBZIMIMYRCZ-AWEZNQCLSA-N 2 1 333.436 0.192 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000174721739 529887554 /nfs/dbraw/zinc/88/75/54/529887554.db2.gz REIGPPDSLSZEBP-SFHVURJKSA-N 2 1 346.475 0.867 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000491043286 420609930 /nfs/dbraw/zinc/60/99/30/420609930.db2.gz AFEOLPMRBWBCCQ-OAHLLOKOSA-N 2 1 342.447 0.016 20 30 ECEDMP C=CCNC(=O)[C@@H](C)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000109790111 436625687 /nfs/dbraw/zinc/62/56/87/436625687.db2.gz GGFYORDADBDTOC-OAHLLOKOSA-N 2 1 336.480 0.553 20 30 ECEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000112904100 436634562 /nfs/dbraw/zinc/63/45/62/436634562.db2.gz YDVKYIJHGHFFAT-INIZCTEOSA-N 2 1 334.464 0.145 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262254656 436919378 /nfs/dbraw/zinc/91/93/78/436919378.db2.gz QLVWEIYDMHBLDT-SJORKVTESA-N 2 1 348.491 0.767 20 30 ECEDMP COC(=O)Nc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000285049311 437076215 /nfs/dbraw/zinc/07/62/15/437076215.db2.gz LBQLBYSLFQVVER-UHFFFAOYSA-N 2 1 349.435 0.992 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ncccc1Cl ZINC000268440774 437416204 /nfs/dbraw/zinc/41/62/04/437416204.db2.gz LWBLFWIJUCPXPS-UHFFFAOYSA-N 2 1 341.843 0.740 20 30 ECEDMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000331164133 437703652 /nfs/dbraw/zinc/70/36/52/437703652.db2.gz XSXOZBJOZLPDKN-AWEZNQCLSA-N 2 1 339.484 0.384 20 30 ECEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000331164133 437703657 /nfs/dbraw/zinc/70/36/57/437703657.db2.gz XSXOZBJOZLPDKN-AWEZNQCLSA-N 2 1 339.484 0.384 20 30 ECEDMP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000342605416 438037049 /nfs/dbraw/zinc/03/70/49/438037049.db2.gz GXDHILAPCPUZHF-UHFFFAOYSA-N 2 1 337.468 0.235 20 30 ECEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878497 439150904 /nfs/dbraw/zinc/15/09/04/439150904.db2.gz XNDYARHIQMSSQZ-DOTOQJQBSA-N 2 1 325.453 0.446 20 30 ECEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878497 439150909 /nfs/dbraw/zinc/15/09/09/439150909.db2.gz XNDYARHIQMSSQZ-DOTOQJQBSA-N 2 1 325.453 0.446 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000491392145 439376405 /nfs/dbraw/zinc/37/64/05/439376405.db2.gz AFHQAENMYUCLTE-IRXDYDNUSA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000491718884 439435724 /nfs/dbraw/zinc/43/57/24/439435724.db2.gz WXBPIUWFAZUCRH-HNNXBMFYSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000491718884 439435726 /nfs/dbraw/zinc/43/57/26/439435726.db2.gz WXBPIUWFAZUCRH-HNNXBMFYSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000491718884 439435732 /nfs/dbraw/zinc/43/57/32/439435732.db2.gz WXBPIUWFAZUCRH-HNNXBMFYSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000491718884 439435733 /nfs/dbraw/zinc/43/57/33/439435733.db2.gz WXBPIUWFAZUCRH-HNNXBMFYSA-N 2 1 338.452 0.220 20 30 ECEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530229791 439493164 /nfs/dbraw/zinc/49/31/64/439493164.db2.gz AHYFGYOTNHYMDQ-KRWDZBQOSA-N 2 1 333.432 0.998 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335162 441017492 /nfs/dbraw/zinc/01/74/92/441017492.db2.gz GJPMKQHMEWRQMF-HUUCEWRRSA-N 2 1 346.479 0.689 20 30 ECEDMP C#CCNC(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000815096438 587282605 /nfs/dbraw/zinc/28/26/05/587282605.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C#CCNC(=O)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000815096438 587282607 /nfs/dbraw/zinc/28/26/07/587282607.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815096438 587282609 /nfs/dbraw/zinc/28/26/09/587282609.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815096438 587282611 /nfs/dbraw/zinc/28/26/11/587282611.db2.gz PUDVJGWHGXNVLP-LJQANCHMSA-N 2 1 329.444 0.695 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182717 590279042 /nfs/dbraw/zinc/27/90/42/590279042.db2.gz WNLMRPXTEXNBNG-HOCLYGCPSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875623759 590316797 /nfs/dbraw/zinc/31/67/97/590316797.db2.gz UWBUCPAGURFBQK-UHFFFAOYSA-N 2 1 336.480 0.695 20 30 ECEDMP COC1CC[NH+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876774165 590412898 /nfs/dbraw/zinc/41/28/98/590412898.db2.gz NMKWXYFYHNQDBI-GOSISDBHSA-N 2 1 342.443 0.972 20 30 ECEDMP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000104174716 591053250 /nfs/dbraw/zinc/05/32/50/591053250.db2.gz PLFPUTSUIXDMHD-IAGOWNOFSA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000104174716 591053253 /nfs/dbraw/zinc/05/32/53/591053253.db2.gz PLFPUTSUIXDMHD-IAGOWNOFSA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000104174716 591053256 /nfs/dbraw/zinc/05/32/56/591053256.db2.gz PLFPUTSUIXDMHD-IAGOWNOFSA-N 3 1 338.544 0.649 20 30 ECEDMP C#CC1(O)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000931151101 611511767 /nfs/dbraw/zinc/51/17/67/611511767.db2.gz MRSMGTQESTTYON-QGZVFWFLSA-N 2 1 329.444 0.866 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938170062 609481289 /nfs/dbraw/zinc/48/12/89/609481289.db2.gz CIVFNAUPRRVJJH-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938170062 609481291 /nfs/dbraw/zinc/48/12/91/609481291.db2.gz CIVFNAUPRRVJJH-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000938170062 609481292 /nfs/dbraw/zinc/48/12/92/609481292.db2.gz CIVFNAUPRRVJJH-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000938170062 609481294 /nfs/dbraw/zinc/48/12/94/609481294.db2.gz CIVFNAUPRRVJJH-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913518695 609685041 /nfs/dbraw/zinc/68/50/41/609685041.db2.gz XNXOOQPCQOUHQT-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC000941623252 610427097 /nfs/dbraw/zinc/42/70/97/610427097.db2.gz URIVXBGJQRCVHJ-UHFFFAOYSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908795 610428688 /nfs/dbraw/zinc/42/86/88/610428688.db2.gz PTOXZVNKDFTAPF-BHEGOAEISA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908795 610428691 /nfs/dbraw/zinc/42/86/91/610428691.db2.gz PTOXZVNKDFTAPF-BHEGOAEISA-N 2 1 331.460 0.700 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677427 610450420 /nfs/dbraw/zinc/45/04/20/610450420.db2.gz QSLSCSNLOZYQOL-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000941103426 610538092 /nfs/dbraw/zinc/53/80/92/610538092.db2.gz ZDZVRLYYHAKNNL-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000941103426 610538094 /nfs/dbraw/zinc/53/80/94/610538094.db2.gz ZDZVRLYYHAKNNL-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000941103426 610538096 /nfs/dbraw/zinc/53/80/96/610538096.db2.gz ZDZVRLYYHAKNNL-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000941103426 610538099 /nfs/dbraw/zinc/53/80/99/610538099.db2.gz ZDZVRLYYHAKNNL-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551691 611259853 /nfs/dbraw/zinc/25/98/53/611259853.db2.gz CUPJOAQXIWKSJC-RCCFBDPRSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551691 611259855 /nfs/dbraw/zinc/25/98/55/611259855.db2.gz CUPJOAQXIWKSJC-RCCFBDPRSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551691 611259856 /nfs/dbraw/zinc/25/98/56/611259856.db2.gz CUPJOAQXIWKSJC-RCCFBDPRSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551691 611259858 /nfs/dbraw/zinc/25/98/58/611259858.db2.gz CUPJOAQXIWKSJC-RCCFBDPRSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551691 611259860 /nfs/dbraw/zinc/25/98/60/611259860.db2.gz CUPJOAQXIWKSJC-RCCFBDPRSA-N 2 1 343.475 0.669 20 30 ECEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124466 611862918 /nfs/dbraw/zinc/86/29/18/611862918.db2.gz ZPDJZCOJSGISDA-HZPDHXFCSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124466 611862919 /nfs/dbraw/zinc/86/29/19/611862919.db2.gz ZPDJZCOJSGISDA-HZPDHXFCSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000949496058 612006418 /nfs/dbraw/zinc/00/64/18/612006418.db2.gz OWDUTGVSJVZVRM-UHFFFAOYSA-N 2 1 337.464 0.588 20 30 ECEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000949496058 612006420 /nfs/dbraw/zinc/00/64/20/612006420.db2.gz OWDUTGVSJVZVRM-UHFFFAOYSA-N 2 1 337.464 0.588 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225416 733068696 /nfs/dbraw/zinc/06/86/96/733068696.db2.gz USCMWRKPYWMGCZ-HNNXBMFYSA-N 2 1 334.464 0.096 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)CC1 ZINC001041845173 782326287 /nfs/dbraw/zinc/32/62/87/782326287.db2.gz UQLRHQZBWVJANW-BEFAXECRSA-N 2 1 346.475 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCOC)C3)C2)CC1 ZINC001041845367 782326475 /nfs/dbraw/zinc/32/64/75/782326475.db2.gz XHKUHYWTNWRGLM-LJQANCHMSA-N 2 1 333.476 0.902 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2C(C)C)C1=O ZINC001167476515 734724942 /nfs/dbraw/zinc/72/49/42/734724942.db2.gz YLWGDJSRBPEGPT-HNNXBMFYSA-N 2 1 347.463 0.889 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398832 751349642 /nfs/dbraw/zinc/34/96/42/751349642.db2.gz GDYVHBVTFFBHOB-NVXWUHKLSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001024021627 737626101 /nfs/dbraw/zinc/62/61/01/737626101.db2.gz GVRWWISSQFZJNF-WBVHZDCISA-N 2 1 345.447 0.804 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001024021627 737626105 /nfs/dbraw/zinc/62/61/05/737626105.db2.gz GVRWWISSQFZJNF-WBVHZDCISA-N 2 1 345.447 0.804 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001025814041 739996555 /nfs/dbraw/zinc/99/65/55/739996555.db2.gz GXMBVSCSLWODMW-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001025814041 739996557 /nfs/dbraw/zinc/99/65/57/739996557.db2.gz GXMBVSCSLWODMW-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001025814041 739996559 /nfs/dbraw/zinc/99/65/59/739996559.db2.gz GXMBVSCSLWODMW-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001025814041 739996561 /nfs/dbraw/zinc/99/65/61/739996561.db2.gz GXMBVSCSLWODMW-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001025814041 739996563 /nfs/dbraw/zinc/99/65/63/739996563.db2.gz GXMBVSCSLWODMW-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008195 790310456 /nfs/dbraw/zinc/31/04/56/790310456.db2.gz VWVQDUZVYPKUOP-JONQDZQNSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008195 790310459 /nfs/dbraw/zinc/31/04/59/790310459.db2.gz VWVQDUZVYPKUOP-JONQDZQNSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008195 790310463 /nfs/dbraw/zinc/31/04/63/790310463.db2.gz VWVQDUZVYPKUOP-JONQDZQNSA-N 2 1 332.452 0.536 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008195 790310469 /nfs/dbraw/zinc/31/04/69/790310469.db2.gz VWVQDUZVYPKUOP-JONQDZQNSA-N 2 1 332.452 0.536 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006575715 751537407 /nfs/dbraw/zinc/53/74/07/751537407.db2.gz NUPJXFMCLVFREP-UAGQMJEPSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006575715 751537413 /nfs/dbraw/zinc/53/74/13/751537413.db2.gz NUPJXFMCLVFREP-UAGQMJEPSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006575715 751537416 /nfs/dbraw/zinc/53/74/16/751537416.db2.gz NUPJXFMCLVFREP-UAGQMJEPSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006575715 751537422 /nfs/dbraw/zinc/53/74/22/751537422.db2.gz NUPJXFMCLVFREP-UAGQMJEPSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098609380 740708783 /nfs/dbraw/zinc/70/87/83/740708783.db2.gz AWMAKUWKAQEGJS-BRWVUGGUSA-N 2 1 349.475 0.421 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098609380 740708787 /nfs/dbraw/zinc/70/87/87/740708787.db2.gz AWMAKUWKAQEGJS-BRWVUGGUSA-N 2 1 349.475 0.421 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974266032 741198498 /nfs/dbraw/zinc/19/84/98/741198498.db2.gz VLHYXTZSPJYKAV-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000974266032 741198501 /nfs/dbraw/zinc/19/85/01/741198501.db2.gz VLHYXTZSPJYKAV-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000974266032 741198505 /nfs/dbraw/zinc/19/85/05/741198505.db2.gz VLHYXTZSPJYKAV-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000974266032 741198507 /nfs/dbraw/zinc/19/85/07/741198507.db2.gz VLHYXTZSPJYKAV-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000974266032 741198511 /nfs/dbraw/zinc/19/85/11/741198511.db2.gz VLHYXTZSPJYKAV-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@H](C)O)C3)CC1 ZINC000982162351 751652252 /nfs/dbraw/zinc/65/22/52/751652252.db2.gz PRPRHSCBGTXYNJ-INIZCTEOSA-N 2 1 333.476 0.637 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327022 741807740 /nfs/dbraw/zinc/80/77/40/741807740.db2.gz OVKRYVBRHMGZKT-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327022 741807747 /nfs/dbraw/zinc/80/77/47/741807747.db2.gz OVKRYVBRHMGZKT-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001029000410 743146514 /nfs/dbraw/zinc/14/65/14/743146514.db2.gz ATFPVENUTXOWOJ-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001029004409 743163297 /nfs/dbraw/zinc/16/32/97/743163297.db2.gz WJEDCHBQYVSYPX-QGZVFWFLSA-N 2 1 343.475 0.666 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261962329 743188746 /nfs/dbraw/zinc/18/87/46/743188746.db2.gz KOKXRKDZPRWPQC-DJIMGWMZSA-N 3 1 336.528 0.270 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261962329 743188749 /nfs/dbraw/zinc/18/87/49/743188749.db2.gz KOKXRKDZPRWPQC-DJIMGWMZSA-N 3 1 336.528 0.270 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261962329 743188752 /nfs/dbraw/zinc/18/87/52/743188752.db2.gz KOKXRKDZPRWPQC-DJIMGWMZSA-N 3 1 336.528 0.270 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997830805 743842156 /nfs/dbraw/zinc/84/21/56/743842156.db2.gz ATTIZMXSOJKEFR-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997830805 743842161 /nfs/dbraw/zinc/84/21/61/743842161.db2.gz ATTIZMXSOJKEFR-KRWDZBQOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000998928693 744410981 /nfs/dbraw/zinc/41/09/81/744410981.db2.gz PRXPSPTUBUGLPB-VJFUWPCTSA-N 2 1 341.459 0.962 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000998928693 744410984 /nfs/dbraw/zinc/41/09/84/744410984.db2.gz PRXPSPTUBUGLPB-VJFUWPCTSA-N 2 1 341.459 0.962 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnnn2C)C1 ZINC001027447042 744473367 /nfs/dbraw/zinc/47/33/67/744473367.db2.gz ZQYVWJZFOJWURO-WBVHZDCISA-N 2 1 344.463 0.336 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)Cc2cnnn2C)C1 ZINC001027447042 744473371 /nfs/dbraw/zinc/47/33/71/744473371.db2.gz ZQYVWJZFOJWURO-WBVHZDCISA-N 2 1 344.463 0.336 20 30 ECEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306562 751927705 /nfs/dbraw/zinc/92/77/05/751927705.db2.gz TXOGQYYWKWMZBZ-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306562 751927710 /nfs/dbraw/zinc/92/77/10/751927710.db2.gz TXOGQYYWKWMZBZ-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306562 751927713 /nfs/dbraw/zinc/92/77/13/751927713.db2.gz TXOGQYYWKWMZBZ-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306562 751927717 /nfs/dbraw/zinc/92/77/17/751927717.db2.gz TXOGQYYWKWMZBZ-RWQQGDIJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999389795 744670838 /nfs/dbraw/zinc/67/08/38/744670838.db2.gz CJQMZLFDYMJYTH-IRXDYDNUSA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999389795 744670840 /nfs/dbraw/zinc/67/08/40/744670840.db2.gz CJQMZLFDYMJYTH-IRXDYDNUSA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC000999393064 744672813 /nfs/dbraw/zinc/67/28/13/744672813.db2.gz VNXFKXDJPZPAHY-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC000999393064 744672817 /nfs/dbraw/zinc/67/28/17/744672817.db2.gz VNXFKXDJPZPAHY-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105360817 752020793 /nfs/dbraw/zinc/02/07/93/752020793.db2.gz JZDKTQKIEILWRJ-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360817 752020795 /nfs/dbraw/zinc/02/07/95/752020795.db2.gz JZDKTQKIEILWRJ-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCn2cccn2)CC1 ZINC001000787439 745763856 /nfs/dbraw/zinc/76/38/56/745763856.db2.gz GYHUIVSXHVTPCU-SFHVURJKSA-N 2 1 341.459 0.729 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1 ZINC001000787439 745763859 /nfs/dbraw/zinc/76/38/59/745763859.db2.gz GYHUIVSXHVTPCU-SFHVURJKSA-N 2 1 341.459 0.729 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCn2cccn2)CC1 ZINC001000787439 745763862 /nfs/dbraw/zinc/76/38/62/745763862.db2.gz GYHUIVSXHVTPCU-SFHVURJKSA-N 2 1 341.459 0.729 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCn2cccn2)CC1 ZINC001000787439 745763864 /nfs/dbraw/zinc/76/38/64/745763864.db2.gz GYHUIVSXHVTPCU-SFHVURJKSA-N 2 1 341.459 0.729 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551141 746419740 /nfs/dbraw/zinc/41/97/40/746419740.db2.gz DEMGKBITHQZLQR-HSPZGVKFSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551141 746419744 /nfs/dbraw/zinc/41/97/44/746419744.db2.gz DEMGKBITHQZLQR-HSPZGVKFSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551141 746419746 /nfs/dbraw/zinc/41/97/46/746419746.db2.gz DEMGKBITHQZLQR-HSPZGVKFSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001001493372 746431344 /nfs/dbraw/zinc/43/13/44/746431344.db2.gz YXGBYDYODACXPM-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001001493372 746431348 /nfs/dbraw/zinc/43/13/48/746431348.db2.gz YXGBYDYODACXPM-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](CC)C(N)=O)C2)CC1 ZINC001027693523 746857428 /nfs/dbraw/zinc/85/74/28/746857428.db2.gz DMLWERWUTGPKRC-IAGOWNOFSA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC000979091287 747160340 /nfs/dbraw/zinc/16/03/40/747160340.db2.gz RFRCBFQVDNPFPC-LEUOFYLZSA-N 2 1 333.476 0.661 20 30 ECEDMP C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262766557 749679392 /nfs/dbraw/zinc/67/93/92/749679392.db2.gz GENFQXCSISXLPH-MRXNPFEDSA-N 2 1 338.496 0.911 20 30 ECEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C(C)=O)CC1 ZINC000262819411 749848129 /nfs/dbraw/zinc/84/81/29/749848129.db2.gz XTRQSILCLFOSIC-HNNXBMFYSA-N 2 1 327.498 0.163 20 30 ECEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740715 750577799 /nfs/dbraw/zinc/57/77/99/750577799.db2.gz HARODCKLZHCMDM-RMXPPQQLSA-N 2 1 331.460 0.796 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981783670 751103759 /nfs/dbraw/zinc/10/37/59/751103759.db2.gz DNUQVXBSOWHNDS-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783670 751103763 /nfs/dbraw/zinc/10/37/63/751103763.db2.gz DNUQVXBSOWHNDS-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783670 751103766 /nfs/dbraw/zinc/10/37/66/751103766.db2.gz DNUQVXBSOWHNDS-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902056 751258031 /nfs/dbraw/zinc/25/80/31/751258031.db2.gz ZEWISQVUCNCDTC-WUJZJPHMSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902056 751258037 /nfs/dbraw/zinc/25/80/37/751258037.db2.gz ZEWISQVUCNCDTC-WUJZJPHMSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902056 751258043 /nfs/dbraw/zinc/25/80/43/751258043.db2.gz ZEWISQVUCNCDTC-WUJZJPHMSA-N 2 1 329.444 0.407 20 30 ECEDMP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465475 752754830 /nfs/dbraw/zinc/75/48/30/752754830.db2.gz LATJIZRDVUWHAL-YJBOKZPZSA-N 2 1 342.443 0.827 20 30 ECEDMP CN1CCO[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001028465475 752754837 /nfs/dbraw/zinc/75/48/37/752754837.db2.gz LATJIZRDVUWHAL-YJBOKZPZSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051493087 762198529 /nfs/dbraw/zinc/19/85/29/762198529.db2.gz HIUUIAQUSJOQIW-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000938097810 753256971 /nfs/dbraw/zinc/25/69/71/753256971.db2.gz YUGBGSCCNMFOEC-IRXDYDNUSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335466 754629102 /nfs/dbraw/zinc/62/91/02/754629102.db2.gz JXMCKJFKJYDNNC-MRXNPFEDSA-N 2 1 348.491 0.486 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001076747450 756955747 /nfs/dbraw/zinc/95/57/47/756955747.db2.gz ZWAYTDBCWSKDQF-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001076747450 756955752 /nfs/dbraw/zinc/95/57/52/756955752.db2.gz ZWAYTDBCWSKDQF-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001076747450 756955756 /nfs/dbraw/zinc/95/57/56/756955756.db2.gz ZWAYTDBCWSKDQF-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001076747450 756955759 /nfs/dbraw/zinc/95/57/59/756955759.db2.gz ZWAYTDBCWSKDQF-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[NH+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@H]2C1 ZINC001048831375 757134596 /nfs/dbraw/zinc/13/45/96/757134596.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[NH+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@H]2C1 ZINC001048831375 757134601 /nfs/dbraw/zinc/13/46/01/757134601.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@H]2C1 ZINC001048831375 757134605 /nfs/dbraw/zinc/13/46/05/757134605.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@H]2C1 ZINC001048831375 757134609 /nfs/dbraw/zinc/13/46/09/757134609.db2.gz QDSVZIVHFRFXNQ-JKIFEVAISA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001011262466 757323475 /nfs/dbraw/zinc/32/34/75/757323475.db2.gz IQKLWIBRABIMDV-INIZCTEOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001011262466 757323488 /nfs/dbraw/zinc/32/34/88/757323488.db2.gz IQKLWIBRABIMDV-INIZCTEOSA-N 2 1 346.475 0.239 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001022070542 758234787 /nfs/dbraw/zinc/23/47/87/758234787.db2.gz WFAZQNFWQXJEIR-VVLHAWIVSA-N 2 1 348.491 0.883 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001077125359 758291286 /nfs/dbraw/zinc/29/12/86/758291286.db2.gz SWTUBQNLSPZDJB-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001077125359 758291294 /nfs/dbraw/zinc/29/12/94/758291294.db2.gz SWTUBQNLSPZDJB-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077125359 758291304 /nfs/dbraw/zinc/29/13/04/758291304.db2.gz SWTUBQNLSPZDJB-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001077125359 758291312 /nfs/dbraw/zinc/29/13/12/758291312.db2.gz SWTUBQNLSPZDJB-HZMVEIRTSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001022220889 758440953 /nfs/dbraw/zinc/44/09/53/758440953.db2.gz SVQBOHWQDMBQPA-UXLLHSPISA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001022220889 758440961 /nfs/dbraw/zinc/44/09/61/758440961.db2.gz SVQBOHWQDMBQPA-UXLLHSPISA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001054240904 767853603 /nfs/dbraw/zinc/85/36/03/767853603.db2.gz FYBHHYBHLWASRG-PKOBYXMFSA-N 2 1 333.476 0.902 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638216 759373808 /nfs/dbraw/zinc/37/38/08/759373808.db2.gz HIVRZSFQLLYKHJ-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638216 759373820 /nfs/dbraw/zinc/37/38/20/759373820.db2.gz HIVRZSFQLLYKHJ-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CC1 ZINC001050207406 759941322 /nfs/dbraw/zinc/94/13/22/759941322.db2.gz PGJNOFBDDDZQDK-DLBZAZTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1 ZINC001050207406 759941324 /nfs/dbraw/zinc/94/13/24/759941324.db2.gz PGJNOFBDDDZQDK-DLBZAZTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC001050208928 759944502 /nfs/dbraw/zinc/94/45/02/759944502.db2.gz WJTIQVGWFANWPN-ZWKOTPCHSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598446 760551572 /nfs/dbraw/zinc/55/15/72/760551572.db2.gz GNLMFOXTMRFVBX-WUJZJPHMSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccon3)C2)CC1 ZINC001051943360 763410075 /nfs/dbraw/zinc/41/00/75/763410075.db2.gz KSTQWHWDMZIWNB-KRWDZBQOSA-N 2 1 346.431 0.337 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027989 763623807 /nfs/dbraw/zinc/62/38/07/763623807.db2.gz MFVUCICPJRZXAG-RBUKOAKNSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001052037011 763652283 /nfs/dbraw/zinc/65/22/83/763652283.db2.gz AYPWNXSHRRHODT-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC001052037011 763652287 /nfs/dbraw/zinc/65/22/87/763652287.db2.gz AYPWNXSHRRHODT-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047383834 764177731 /nfs/dbraw/zinc/17/77/31/764177731.db2.gz JPGOXRBFJQZOLO-HOTGVXAUSA-N 2 1 335.452 0.138 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001052457479 764541066 /nfs/dbraw/zinc/54/10/66/764541066.db2.gz RVEBVUYJHXLFBW-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001052457479 764541068 /nfs/dbraw/zinc/54/10/68/764541068.db2.gz RVEBVUYJHXLFBW-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001052457479 764541073 /nfs/dbraw/zinc/54/10/73/764541073.db2.gz RVEBVUYJHXLFBW-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001052457479 764541079 /nfs/dbraw/zinc/54/10/79/764541079.db2.gz RVEBVUYJHXLFBW-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC001052458537 764543968 /nfs/dbraw/zinc/54/39/68/764543968.db2.gz DMGLGCBUVBYHNH-MSOLQXFVSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC001052458537 764543973 /nfs/dbraw/zinc/54/39/73/764543973.db2.gz DMGLGCBUVBYHNH-MSOLQXFVSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC001052458537 764543978 /nfs/dbraw/zinc/54/39/78/764543978.db2.gz DMGLGCBUVBYHNH-MSOLQXFVSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC001052458537 764543984 /nfs/dbraw/zinc/54/39/84/764543984.db2.gz DMGLGCBUVBYHNH-MSOLQXFVSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COC1CC[NH+](C)CC1 ZINC001089882516 764658240 /nfs/dbraw/zinc/65/82/40/764658240.db2.gz DZCCMTAZLAVJRD-KANFNMMFSA-N 2 1 345.487 0.899 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559448 764693740 /nfs/dbraw/zinc/69/37/40/764693740.db2.gz UCEHBBDBPPITHF-HOTGVXAUSA-N 2 1 335.452 0.138 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)CC1 ZINC001052952361 765407753 /nfs/dbraw/zinc/40/77/53/765407753.db2.gz CQJWTIDOYUJRMZ-SJORKVTESA-N 2 1 348.491 0.566 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344081 768336722 /nfs/dbraw/zinc/33/67/22/768336722.db2.gz FSUMGIAVLIXNFA-HOTGVXAUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001045943005 766513815 /nfs/dbraw/zinc/51/38/15/766513815.db2.gz DXFLTLIZGKVUEJ-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001045943005 766513823 /nfs/dbraw/zinc/51/38/23/766513823.db2.gz DXFLTLIZGKVUEJ-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001045943005 766513829 /nfs/dbraw/zinc/51/38/29/766513829.db2.gz DXFLTLIZGKVUEJ-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CCO)C2)C1 ZINC001045943005 766513835 /nfs/dbraw/zinc/51/38/35/766513835.db2.gz DXFLTLIZGKVUEJ-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055545475 769081261 /nfs/dbraw/zinc/08/12/61/769081261.db2.gz JOCFFBFCDYBNOG-KRWDZBQOSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055545475 769081271 /nfs/dbraw/zinc/08/12/71/769081271.db2.gz JOCFFBFCDYBNOG-KRWDZBQOSA-N 2 1 348.491 0.581 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578847 769174879 /nfs/dbraw/zinc/17/48/79/769174879.db2.gz XEPCHTXSKBMMJR-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578613 769174932 /nfs/dbraw/zinc/17/49/32/769174932.db2.gz QVNSPNJQMSGRHI-INIZCTEOSA-N 2 1 348.491 0.438 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001018965162 770418796 /nfs/dbraw/zinc/41/87/96/770418796.db2.gz VFCKTGJBCBQBQE-UONOGXRCSA-N 2 1 325.844 0.756 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076344 790522165 /nfs/dbraw/zinc/52/21/65/790522165.db2.gz MDANNYDOCHNLRK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076344 790522175 /nfs/dbraw/zinc/52/21/75/790522175.db2.gz MDANNYDOCHNLRK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076344 790522187 /nfs/dbraw/zinc/52/21/87/790522187.db2.gz MDANNYDOCHNLRK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076344 790522198 /nfs/dbraw/zinc/52/21/98/790522198.db2.gz MDANNYDOCHNLRK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001070198276 783641044 /nfs/dbraw/zinc/64/10/44/783641044.db2.gz XJOUEHYMDCIWAJ-JJXSEGSLSA-N 2 1 332.452 0.536 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206142 783655299 /nfs/dbraw/zinc/65/52/99/783655299.db2.gz IOJFYCNMMZAKKN-PMPSAXMXSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963534 784245337 /nfs/dbraw/zinc/24/53/37/784245337.db2.gz VOBARBURHQHHNR-QGZVFWFLSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963534 784245341 /nfs/dbraw/zinc/24/53/41/784245341.db2.gz VOBARBURHQHHNR-QGZVFWFLSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070994743 784351969 /nfs/dbraw/zinc/35/19/69/784351969.db2.gz BUMZCIGGICLKNI-UHFFFAOYSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070994743 784351988 /nfs/dbraw/zinc/35/19/88/784351988.db2.gz BUMZCIGGICLKNI-UHFFFAOYSA-N 2 1 334.464 0.002 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001071000084 784372098 /nfs/dbraw/zinc/37/20/98/784372098.db2.gz MXRGDKDZZURUJZ-JKSUJKDBSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001071000084 784372107 /nfs/dbraw/zinc/37/21/07/784372107.db2.gz MXRGDKDZZURUJZ-JKSUJKDBSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001071000084 784372115 /nfs/dbraw/zinc/37/21/15/784372115.db2.gz MXRGDKDZZURUJZ-JKSUJKDBSA-N 2 1 336.480 0.411 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071015817 784424025 /nfs/dbraw/zinc/42/40/25/784424025.db2.gz VFKOFAWCVLGCRR-MRXNPFEDSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071015817 784424028 /nfs/dbraw/zinc/42/40/28/784424028.db2.gz VFKOFAWCVLGCRR-MRXNPFEDSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001071015817 784424037 /nfs/dbraw/zinc/42/40/37/784424037.db2.gz VFKOFAWCVLGCRR-MRXNPFEDSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001071015817 784424046 /nfs/dbraw/zinc/42/40/46/784424046.db2.gz VFKOFAWCVLGCRR-MRXNPFEDSA-N 2 1 334.464 0.002 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553644 786358261 /nfs/dbraw/zinc/35/82/61/786358261.db2.gz GGZXUPRMGBXRAV-HZPDHXFCSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553644 786358266 /nfs/dbraw/zinc/35/82/66/786358266.db2.gz GGZXUPRMGBXRAV-HZPDHXFCSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553644 786358272 /nfs/dbraw/zinc/35/82/72/786358272.db2.gz GGZXUPRMGBXRAV-HZPDHXFCSA-N 2 1 346.475 0.402 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700510 787000242 /nfs/dbraw/zinc/00/02/42/787000242.db2.gz OGMSMPDVMMTZOI-DHADLLTHSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700510 787000249 /nfs/dbraw/zinc/00/02/49/787000249.db2.gz OGMSMPDVMMTZOI-DHADLLTHSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700510 787000259 /nfs/dbraw/zinc/00/02/59/787000259.db2.gz OGMSMPDVMMTZOI-DHADLLTHSA-N 2 1 347.459 0.080 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740133 787090711 /nfs/dbraw/zinc/09/07/11/787090711.db2.gz BWTZJBSZFSLCBY-DLBZAZTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740133 787090715 /nfs/dbraw/zinc/09/07/15/787090715.db2.gz BWTZJBSZFSLCBY-DLBZAZTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740133 787090724 /nfs/dbraw/zinc/09/07/24/787090724.db2.gz BWTZJBSZFSLCBY-DLBZAZTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740954 787094535 /nfs/dbraw/zinc/09/45/35/787094535.db2.gz MBABCOLCAWAIBC-SJORKVTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740954 787094540 /nfs/dbraw/zinc/09/45/40/787094540.db2.gz MBABCOLCAWAIBC-SJORKVTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740954 787094546 /nfs/dbraw/zinc/09/45/46/787094546.db2.gz MBABCOLCAWAIBC-SJORKVTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896358 787466056 /nfs/dbraw/zinc/46/60/56/787466056.db2.gz QJOXVKJYXLFTEX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896358 787466059 /nfs/dbraw/zinc/46/60/59/787466059.db2.gz QJOXVKJYXLFTEX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896358 787466067 /nfs/dbraw/zinc/46/60/67/787466067.db2.gz QJOXVKJYXLFTEX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896358 787466068 /nfs/dbraw/zinc/46/60/68/787466068.db2.gz QJOXVKJYXLFTEX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001073899561 787475761 /nfs/dbraw/zinc/47/57/61/787475761.db2.gz XCEGVENXUVOVBF-SFHVURJKSA-N 2 1 331.460 0.562 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)C1=O ZINC001073430586 789831883 /nfs/dbraw/zinc/83/18/83/789831883.db2.gz IMSBJWVOMKTJAQ-INIZCTEOSA-N 2 1 346.475 0.403 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267548370 837744090 /nfs/dbraw/zinc/74/40/90/837744090.db2.gz DPJQGDPZBCCVDV-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267548370 837744098 /nfs/dbraw/zinc/74/40/98/837744098.db2.gz DPJQGDPZBCCVDV-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267548370 837744104 /nfs/dbraw/zinc/74/41/04/837744104.db2.gz DPJQGDPZBCCVDV-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267548370 837744109 /nfs/dbraw/zinc/74/41/09/837744109.db2.gz DPJQGDPZBCCVDV-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H](CNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266441518 835846688 /nfs/dbraw/zinc/84/66/88/835846688.db2.gz GXNMUOFZODANSA-JKSUJKDBSA-N 2 1 345.447 0.463 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611515 836045187 /nfs/dbraw/zinc/04/51/87/836045187.db2.gz MIRADBNYHRBBCP-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611515 836045200 /nfs/dbraw/zinc/04/52/00/836045200.db2.gz MIRADBNYHRBBCP-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611515 836045211 /nfs/dbraw/zinc/04/52/11/836045211.db2.gz MIRADBNYHRBBCP-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611515 836045229 /nfs/dbraw/zinc/04/52/29/836045229.db2.gz MIRADBNYHRBBCP-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266880530 836427686 /nfs/dbraw/zinc/42/76/86/836427686.db2.gz LIWMBWWLBCEUPP-JKSUJKDBSA-N 2 1 336.480 0.437 20 30 ECEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267001383 836591962 /nfs/dbraw/zinc/59/19/62/836591962.db2.gz OWDNEAOEOKSSED-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267044615 836671304 /nfs/dbraw/zinc/67/13/04/836671304.db2.gz KFZNLJNHQPCXCC-HUUCEWRRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC#CCOC)C2)CC1 ZINC001267114384 836804983 /nfs/dbraw/zinc/80/49/83/836804983.db2.gz FCMVFQHOSIIKIF-IBGZPJMESA-N 2 1 345.487 0.904 20 30 ECEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001267593153 837890530 /nfs/dbraw/zinc/89/05/30/837890530.db2.gz DOXSYDXAKKTJGE-ZDUSSCGKSA-N 2 1 346.435 0.107 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCCC ZINC001267957743 838861774 /nfs/dbraw/zinc/86/17/74/838861774.db2.gz KXWWCTOEWGMGOY-CVEARBPZSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCCC ZINC001267957743 838861782 /nfs/dbraw/zinc/86/17/82/838861782.db2.gz KXWWCTOEWGMGOY-CVEARBPZSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267991136 838933763 /nfs/dbraw/zinc/93/37/63/838933763.db2.gz ZQXBSELVBDTHOD-DOTOQJQBSA-N 2 1 348.491 0.485 20 30 ECEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268063171 839247951 /nfs/dbraw/zinc/24/79/51/839247951.db2.gz IENAOCXCDUEXJH-YOEHRIQHSA-N 2 1 347.463 0.876 20 30 ECEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001268063171 839247963 /nfs/dbraw/zinc/24/79/63/839247963.db2.gz IENAOCXCDUEXJH-YOEHRIQHSA-N 2 1 347.463 0.876 20 30 ECEDMP CC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000329646106 279258131 /nfs/dbraw/zinc/25/81/31/279258131.db2.gz IVBUIIVHKLVZAH-OAHLLOKOSA-N 2 1 325.501 0.858 20 30 ECEDMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000543743031 302218209 /nfs/dbraw/zinc/21/82/09/302218209.db2.gz GAKXKEFDKWWJSK-LBPRGKRZSA-N 2 1 340.391 0.496 20 30 ECEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000270457667 436672782 /nfs/dbraw/zinc/67/27/82/436672782.db2.gz WDHBDODLZUYWTR-QGZVFWFLSA-N 2 1 338.427 0.660 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909765 436961097 /nfs/dbraw/zinc/96/10/97/436961097.db2.gz LMWMPVPNTUAGSF-OAHLLOKOSA-N 2 1 329.448 0.964 20 30 ECEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264134172 437017002 /nfs/dbraw/zinc/01/70/02/437017002.db2.gz ZBLRNXUOFPSSAZ-OAHLLOKOSA-N 2 1 339.509 0.977 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(OC)c1 ZINC000264149375 437019249 /nfs/dbraw/zinc/01/92/49/437019249.db2.gz YSDGOMGYWGIYMJ-OAHLLOKOSA-N 2 1 347.463 0.814 20 30 ECEDMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329354746 437358482 /nfs/dbraw/zinc/35/84/82/437358482.db2.gz VNOMXGPQHCGUHC-HNNXBMFYSA-N 2 1 325.501 0.858 20 30 ECEDMP COCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267421358 437327829 /nfs/dbraw/zinc/32/78/29/437327829.db2.gz KTKCZAIBMSJIDJ-INIZCTEOSA-N 2 1 347.463 0.435 20 30 ECEDMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424150688 437894644 /nfs/dbraw/zinc/89/46/44/437894644.db2.gz ZFDYJRVBSANEAS-JKSUJKDBSA-N 2 1 344.463 0.729 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342103622 437969468 /nfs/dbraw/zinc/96/94/68/437969468.db2.gz IHGUBLTXYDEXEB-AWEZNQCLSA-N 2 1 336.480 0.742 20 30 ECEDMP N#Cc1ncn(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601965054 438992310 /nfs/dbraw/zinc/99/23/10/438992310.db2.gz MTIGRKVNFFJPSQ-QGZVFWFLSA-N 2 1 326.404 0.376 20 30 ECEDMP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1=CC[N@H+](C)CC1 ZINC000518364809 438996718 /nfs/dbraw/zinc/99/67/18/438996718.db2.gz ZYHSYNNSHUXANR-CYBMUJFWSA-N 2 1 334.445 0.967 20 30 ECEDMP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1=CC[N@@H+](C)CC1 ZINC000518364809 438996722 /nfs/dbraw/zinc/99/67/22/438996722.db2.gz ZYHSYNNSHUXANR-CYBMUJFWSA-N 2 1 334.445 0.967 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844386 439141342 /nfs/dbraw/zinc/14/13/42/439141342.db2.gz CUGOWIQCNSPOCT-AWEZNQCLSA-N 2 1 331.420 0.994 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844386 439141347 /nfs/dbraw/zinc/14/13/47/439141347.db2.gz CUGOWIQCNSPOCT-AWEZNQCLSA-N 2 1 331.420 0.994 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000491373206 439373923 /nfs/dbraw/zinc/37/39/23/439373923.db2.gz MEDDFNXNDXYLIE-UHFFFAOYSA-N 2 1 338.496 0.941 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000491373206 439373930 /nfs/dbraw/zinc/37/39/30/439373930.db2.gz MEDDFNXNDXYLIE-UHFFFAOYSA-N 2 1 338.496 0.941 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000491473448 439388860 /nfs/dbraw/zinc/38/88/60/439388860.db2.gz DIZLOJTXZKLFBR-UHFFFAOYSA-N 2 1 328.420 0.908 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000491473448 439388864 /nfs/dbraw/zinc/38/88/64/439388864.db2.gz DIZLOJTXZKLFBR-UHFFFAOYSA-N 2 1 328.420 0.908 20 30 ECEDMP C[NH+]1CCN([C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c2ccccc2)CC1 ZINC000834495378 588903214 /nfs/dbraw/zinc/90/32/14/588903214.db2.gz UZNGBLQIIYYKOX-ULQDDVLXSA-N 2 1 327.432 0.203 20 30 ECEDMP C=C1[C@H](C(=O)N2CCC[N@H+](C)CC2)[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000899935885 586513967 /nfs/dbraw/zinc/51/39/67/586513967.db2.gz SFFRIZXWLSKJJF-IYBDPMFKSA-N 2 1 334.464 0.117 20 30 ECEDMP C=C1[C@H](C(=O)N2CCC[NH+](C)CC2)[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000899935885 586513968 /nfs/dbraw/zinc/51/39/68/586513968.db2.gz SFFRIZXWLSKJJF-IYBDPMFKSA-N 2 1 334.464 0.117 20 30 ECEDMP C=C1[C@H](C(=O)N2CCC[NH+](C)CC2)[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000899935885 586513970 /nfs/dbraw/zinc/51/39/70/586513970.db2.gz SFFRIZXWLSKJJF-IYBDPMFKSA-N 2 1 334.464 0.117 20 30 ECEDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371926 589109328 /nfs/dbraw/zinc/10/93/28/589109328.db2.gz SMUHZXMPMZDTIL-KRWDZBQOSA-N 2 1 330.432 0.688 20 30 ECEDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371926 589109329 /nfs/dbraw/zinc/10/93/29/589109329.db2.gz SMUHZXMPMZDTIL-KRWDZBQOSA-N 2 1 330.432 0.688 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849518841 589339254 /nfs/dbraw/zinc/33/92/54/589339254.db2.gz PEFWZAPTIXUFCM-ZWKOTPCHSA-N 2 1 343.475 0.623 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849518841 589339256 /nfs/dbraw/zinc/33/92/56/589339256.db2.gz PEFWZAPTIXUFCM-ZWKOTPCHSA-N 2 1 343.475 0.623 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1=O ZINC000863549741 590022419 /nfs/dbraw/zinc/02/24/19/590022419.db2.gz QJYHYKGAMCTSOI-ZNMIVQPWSA-N 2 1 334.420 0.030 20 30 ECEDMP CO[C@H]1COCC[C@@H]1[NH+](C)CC#CC[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433389 590393510 /nfs/dbraw/zinc/39/35/10/590393510.db2.gz WKYFZBGLBJUBGC-XLAORIBOSA-N 2 1 340.464 0.461 20 30 ECEDMP CO[C@H]1COCC[C@@H]1[N@@H+](C)CC#CC[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880433389 590393513 /nfs/dbraw/zinc/39/35/13/590393513.db2.gz WKYFZBGLBJUBGC-XLAORIBOSA-N 2 1 340.464 0.461 20 30 ECEDMP CO[C@H]1COCC[C@@H]1[N@H+](C)CC#CC[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880433389 590393516 /nfs/dbraw/zinc/39/35/16/590393516.db2.gz WKYFZBGLBJUBGC-XLAORIBOSA-N 2 1 340.464 0.461 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000134125407 590794308 /nfs/dbraw/zinc/79/43/08/590794308.db2.gz SGBDKBNUYNHTSN-MRXNPFEDSA-N 2 1 325.501 0.462 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000890370639 591153823 /nfs/dbraw/zinc/15/38/23/591153823.db2.gz DVMYBAIIUFOWCY-SFHVURJKSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000890370639 591153835 /nfs/dbraw/zinc/15/38/35/591153835.db2.gz DVMYBAIIUFOWCY-SFHVURJKSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690423 611415652 /nfs/dbraw/zinc/41/56/52/611415652.db2.gz QFQWTQSOTKBQQY-VVJOJPPRSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690423 611415656 /nfs/dbraw/zinc/41/56/56/611415656.db2.gz QFQWTQSOTKBQQY-VVJOJPPRSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690423 611415660 /nfs/dbraw/zinc/41/56/60/611415660.db2.gz QFQWTQSOTKBQQY-VVJOJPPRSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CCN(C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000920461741 609683211 /nfs/dbraw/zinc/68/32/11/609683211.db2.gz PEAFUFMHTRDJQO-QGZVFWFLSA-N 2 1 349.523 0.609 20 30 ECEDMP C=C1[C@@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000912998331 610029154 /nfs/dbraw/zinc/02/91/54/610029154.db2.gz FZZHQYYAJRXIFO-KLHDSHLOSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000939011922 610068089 /nfs/dbraw/zinc/06/80/89/610068089.db2.gz CZGIHWIXJMCMKJ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000939011922 610068090 /nfs/dbraw/zinc/06/80/90/610068090.db2.gz CZGIHWIXJMCMKJ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000939011922 610068091 /nfs/dbraw/zinc/06/80/91/610068091.db2.gz CZGIHWIXJMCMKJ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000939011922 610068092 /nfs/dbraw/zinc/06/80/92/610068092.db2.gz CZGIHWIXJMCMKJ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456805 610319164 /nfs/dbraw/zinc/31/91/64/610319164.db2.gz TZNIMLYLQYXSMY-MJGOQNOKSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456805 610319165 /nfs/dbraw/zinc/31/91/65/610319165.db2.gz TZNIMLYLQYXSMY-MJGOQNOKSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000940761741 610353718 /nfs/dbraw/zinc/35/37/18/610353718.db2.gz ZJAQALOJAABXJF-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000940761741 610353720 /nfs/dbraw/zinc/35/37/20/610353720.db2.gz ZJAQALOJAABXJF-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000940761741 610353722 /nfs/dbraw/zinc/35/37/22/610353722.db2.gz ZJAQALOJAABXJF-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000940761741 610353724 /nfs/dbraw/zinc/35/37/24/610353724.db2.gz ZJAQALOJAABXJF-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566323 610386308 /nfs/dbraw/zinc/38/63/08/610386308.db2.gz BNMBYFIYHUQHNJ-SJLPKXTDSA-N 2 1 334.508 0.979 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000941674176 610447019 /nfs/dbraw/zinc/44/70/19/610447019.db2.gz ZBTWVZBPERJGMZ-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000941674176 610447020 /nfs/dbraw/zinc/44/70/20/610447020.db2.gz ZBTWVZBPERJGMZ-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000941674176 610447021 /nfs/dbraw/zinc/44/70/21/610447021.db2.gz ZBTWVZBPERJGMZ-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000941674176 610447022 /nfs/dbraw/zinc/44/70/22/610447022.db2.gz ZBTWVZBPERJGMZ-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000941112269 610557155 /nfs/dbraw/zinc/55/71/55/610557155.db2.gz FRNXALUDFIVGSX-KRWDZBQOSA-N 2 1 346.475 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000941112269 610557156 /nfs/dbraw/zinc/55/71/56/610557156.db2.gz FRNXALUDFIVGSX-KRWDZBQOSA-N 2 1 346.475 0.241 20 30 ECEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551690 611259616 /nfs/dbraw/zinc/25/96/16/611259616.db2.gz CUPJOAQXIWKSJC-OKZBNKHCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551690 611259618 /nfs/dbraw/zinc/25/96/18/611259618.db2.gz CUPJOAQXIWKSJC-OKZBNKHCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551690 611259619 /nfs/dbraw/zinc/25/96/19/611259619.db2.gz CUPJOAQXIWKSJC-OKZBNKHCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551690 611259622 /nfs/dbraw/zinc/25/96/22/611259622.db2.gz CUPJOAQXIWKSJC-OKZBNKHCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551690 611259623 /nfs/dbraw/zinc/25/96/23/611259623.db2.gz CUPJOAQXIWKSJC-OKZBNKHCSA-N 2 1 343.475 0.669 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189311 611894403 /nfs/dbraw/zinc/89/44/03/611894403.db2.gz PKRRLBRXTJSQJF-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000970723597 733874802 /nfs/dbraw/zinc/87/48/02/733874802.db2.gz CIGODMBIFURMCZ-HUUCEWRRSA-N 2 1 331.420 0.169 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000970723593 733875152 /nfs/dbraw/zinc/87/51/52/733875152.db2.gz CIGODMBIFURMCZ-CABCVRRESA-N 2 1 331.420 0.169 20 30 ECEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289232 733909926 /nfs/dbraw/zinc/90/99/26/733909926.db2.gz IDJVMMCMOQFIOA-KURKYZTESA-N 2 1 345.491 0.911 20 30 ECEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500660 736926088 /nfs/dbraw/zinc/92/60/88/736926088.db2.gz XIYVEMXCOYAKAG-XNGIKWSVSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500660 736926091 /nfs/dbraw/zinc/92/60/91/736926091.db2.gz XIYVEMXCOYAKAG-XNGIKWSVSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500660 736926095 /nfs/dbraw/zinc/92/60/95/736926095.db2.gz XIYVEMXCOYAKAG-XNGIKWSVSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059847280 751381039 /nfs/dbraw/zinc/38/10/39/751381039.db2.gz ONWVAAXXGUDTIL-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059847280 751381046 /nfs/dbraw/zinc/38/10/46/751381046.db2.gz ONWVAAXXGUDTIL-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001026040883 740326750 /nfs/dbraw/zinc/32/67/50/740326750.db2.gz SVYAEENSVQXUIM-LFRCEIEQSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@H]2C)C1=O ZINC001026040883 740326753 /nfs/dbraw/zinc/32/67/53/740326753.db2.gz SVYAEENSVQXUIM-LFRCEIEQSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@H]2C)C1=O ZINC001026040883 740326757 /nfs/dbraw/zinc/32/67/57/740326757.db2.gz SVYAEENSVQXUIM-LFRCEIEQSA-N 2 1 346.475 0.304 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000982063793 751544399 /nfs/dbraw/zinc/54/43/99/751544399.db2.gz XOABHWSDCQXMCM-UHFFFAOYSA-N 2 1 329.448 0.616 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC001026508843 741496349 /nfs/dbraw/zinc/49/63/49/741496349.db2.gz OBHKOLSTHYCPSE-DQPZFDDXSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC001026508843 741496352 /nfs/dbraw/zinc/49/63/52/741496352.db2.gz OBHKOLSTHYCPSE-DQPZFDDXSA-N 2 1 344.463 0.430 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105259499 741581121 /nfs/dbraw/zinc/58/11/21/741581121.db2.gz AYBFUUXOZTXOIO-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259499 741581122 /nfs/dbraw/zinc/58/11/22/741581122.db2.gz AYBFUUXOZTXOIO-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000983392463 742943779 /nfs/dbraw/zinc/94/37/79/742943779.db2.gz YJFNKFJQYNKQBR-KZNAEPCWSA-N 2 1 342.443 0.873 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000983392463 742943786 /nfs/dbraw/zinc/94/37/86/742943786.db2.gz YJFNKFJQYNKQBR-KZNAEPCWSA-N 2 1 342.443 0.873 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002632 745166672 /nfs/dbraw/zinc/16/66/72/745166672.db2.gz KTCFGRUGPCCFKI-MRXNPFEDSA-N 2 1 342.447 0.403 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000023282 745194680 /nfs/dbraw/zinc/19/46/80/745194680.db2.gz YZNNUMDFZYCBKQ-QGZVFWFLSA-N 2 1 344.463 0.506 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)nn2)C1 ZINC001000042785 745223219 /nfs/dbraw/zinc/22/32/19/745223219.db2.gz HJEJOPYZIDCDSZ-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)nn2)C1 ZINC001000042785 745223226 /nfs/dbraw/zinc/22/32/26/745223226.db2.gz HJEJOPYZIDCDSZ-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042785 745223231 /nfs/dbraw/zinc/22/32/31/745223231.db2.gz HJEJOPYZIDCDSZ-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042785 745223236 /nfs/dbraw/zinc/22/32/36/745223236.db2.gz HJEJOPYZIDCDSZ-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043819 745224008 /nfs/dbraw/zinc/22/40/08/745224008.db2.gz KJWVEXVNOBZBBJ-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043819 745224013 /nfs/dbraw/zinc/22/40/13/745224013.db2.gz KJWVEXVNOBZBBJ-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043819 745224018 /nfs/dbraw/zinc/22/40/18/745224018.db2.gz KJWVEXVNOBZBBJ-GDBMZVCRSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000977921370 745650727 /nfs/dbraw/zinc/65/07/27/745650727.db2.gz SDPDASOPCPNUJB-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000977921370 745650730 /nfs/dbraw/zinc/65/07/30/745650730.db2.gz SDPDASOPCPNUJB-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC000978280074 746142479 /nfs/dbraw/zinc/14/24/79/746142479.db2.gz IIZXDRSCOUVPKK-NXOAAHMSSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC000978280074 746142482 /nfs/dbraw/zinc/14/24/82/746142482.db2.gz IIZXDRSCOUVPKK-NXOAAHMSSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203442749 746501017 /nfs/dbraw/zinc/50/10/17/746501017.db2.gz NJDVJFYNVVIOBQ-HNNXBMFYSA-N 2 1 336.480 0.437 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681701 746800249 /nfs/dbraw/zinc/80/02/49/746800249.db2.gz AWFOCZSSKYPBCW-DLBZAZTESA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC000984802905 746973028 /nfs/dbraw/zinc/97/30/28/746973028.db2.gz FHKRSZZJIYLJEB-QAETUUGQSA-N 2 1 348.491 0.600 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047398 747144735 /nfs/dbraw/zinc/14/47/35/747144735.db2.gz WXPFJDHLUFWCMV-QGRXYFRJSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047398 747144740 /nfs/dbraw/zinc/14/47/40/747144740.db2.gz WXPFJDHLUFWCMV-QGRXYFRJSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047398 747144746 /nfs/dbraw/zinc/14/47/46/747144746.db2.gz WXPFJDHLUFWCMV-QGRXYFRJSA-N 2 1 343.471 0.653 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157543 748241218 /nfs/dbraw/zinc/24/12/18/748241218.db2.gz AYBPWHWTCCEIMJ-DLBZAZTESA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccnn3C)CC2)CC1 ZINC001004208101 749317957 /nfs/dbraw/zinc/31/79/57/749317957.db2.gz LFZJUBIMJFOTHA-UHFFFAOYSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004460444 749528385 /nfs/dbraw/zinc/52/83/85/749528385.db2.gz ZHKNEHRDIWLJOH-SJORKVTESA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004460444 749528389 /nfs/dbraw/zinc/52/83/89/749528389.db2.gz ZHKNEHRDIWLJOH-SJORKVTESA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC(N)=O)CC1 ZINC001004460444 749528394 /nfs/dbraw/zinc/52/83/94/749528394.db2.gz ZHKNEHRDIWLJOH-SJORKVTESA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC(N)=O)CC1 ZINC001004460444 749528397 /nfs/dbraw/zinc/52/83/97/749528397.db2.gz ZHKNEHRDIWLJOH-SJORKVTESA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)[C@H]2C)CC1 ZINC000987575305 750977963 /nfs/dbraw/zinc/97/79/63/750977963.db2.gz JDFDKVQTADDPPF-GDBMZVCRSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901158 751256933 /nfs/dbraw/zinc/25/69/33/751256933.db2.gz CKSIZOFQZUCWDC-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901158 751256937 /nfs/dbraw/zinc/25/69/37/751256937.db2.gz CKSIZOFQZUCWDC-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC)CC1 ZINC001028333611 752411560 /nfs/dbraw/zinc/41/15/60/752411560.db2.gz OWSCCNIOKULXAS-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC)CC1 ZINC001028333611 752411565 /nfs/dbraw/zinc/41/15/65/752411565.db2.gz OWSCCNIOKULXAS-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001021096360 752537454 /nfs/dbraw/zinc/53/74/54/752537454.db2.gz OUWTVPQQWXAPBD-VQHPVUNQSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001028601595 753882087 /nfs/dbraw/zinc/88/20/87/753882087.db2.gz QWKUDHJWISVPOH-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001028601595 753882095 /nfs/dbraw/zinc/88/20/95/753882095.db2.gz QWKUDHJWISVPOH-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001028601595 753882102 /nfs/dbraw/zinc/88/21/02/753882102.db2.gz QWKUDHJWISVPOH-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001028601595 753882110 /nfs/dbraw/zinc/88/21/10/753882110.db2.gz QWKUDHJWISVPOH-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001028601721 753882588 /nfs/dbraw/zinc/88/25/88/753882588.db2.gz UEFSREZMCYYIMF-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989661004 754268844 /nfs/dbraw/zinc/26/88/44/754268844.db2.gz FDTDHHOFMAIIND-CVEARBPZSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661004 754268846 /nfs/dbraw/zinc/26/88/46/754268846.db2.gz FDTDHHOFMAIIND-CVEARBPZSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661004 754268849 /nfs/dbraw/zinc/26/88/49/754268849.db2.gz FDTDHHOFMAIIND-CVEARBPZSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661004 754268852 /nfs/dbraw/zinc/26/88/52/754268852.db2.gz FDTDHHOFMAIIND-CVEARBPZSA-N 2 1 334.464 0.259 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261866668 754702908 /nfs/dbraw/zinc/70/29/08/754702908.db2.gz ZCVGDDLLPKIAHC-IRXDYDNUSA-N 2 1 349.523 0.700 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261866668 754702913 /nfs/dbraw/zinc/70/29/13/754702913.db2.gz ZCVGDDLLPKIAHC-IRXDYDNUSA-N 3 1 349.523 0.700 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261866668 754702922 /nfs/dbraw/zinc/70/29/22/754702922.db2.gz ZCVGDDLLPKIAHC-IRXDYDNUSA-N 3 1 349.523 0.700 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000990570355 755423794 /nfs/dbraw/zinc/42/37/94/755423794.db2.gz NWWMEECRKBCTCR-SFHVURJKSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000990570355 755423796 /nfs/dbraw/zinc/42/37/96/755423796.db2.gz NWWMEECRKBCTCR-SFHVURJKSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030020581 755595016 /nfs/dbraw/zinc/59/50/16/755595016.db2.gz UILPGVQUBCBARQ-BBWFWOEESA-N 2 1 348.491 0.838 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076349727 756408486 /nfs/dbraw/zinc/40/84/86/756408486.db2.gz QPOCOBMUMNKXON-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210884 757697537 /nfs/dbraw/zinc/69/75/37/757697537.db2.gz HIHVJBAKBWZXDV-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210884 757697540 /nfs/dbraw/zinc/69/75/40/757697540.db2.gz HIHVJBAKBWZXDV-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001022163929 758363450 /nfs/dbraw/zinc/36/34/50/758363450.db2.gz BYSWQOJGNYEXPN-TWMKSMIVSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001022221279 758442710 /nfs/dbraw/zinc/44/27/10/758442710.db2.gz BVCXSDAYTJFGMG-TWMKSMIVSA-N 2 1 346.475 0.330 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001022221279 758442716 /nfs/dbraw/zinc/44/27/16/758442716.db2.gz BVCXSDAYTJFGMG-TWMKSMIVSA-N 2 1 346.475 0.330 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996683582 758463849 /nfs/dbraw/zinc/46/38/49/758463849.db2.gz FNSIFMYPYVGFCK-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996683582 758463852 /nfs/dbraw/zinc/46/38/52/758463852.db2.gz FNSIFMYPYVGFCK-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996685017 758467272 /nfs/dbraw/zinc/46/72/72/758467272.db2.gz LOAWMLPXRCJSPB-KRWDZBQOSA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996685017 758467277 /nfs/dbraw/zinc/46/72/77/758467277.db2.gz LOAWMLPXRCJSPB-KRWDZBQOSA-N 2 1 329.448 0.561 20 30 ECEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779699 758626718 /nfs/dbraw/zinc/62/67/18/758626718.db2.gz QJDVXDUHRWJGHQ-SJORKVTESA-N 2 1 328.416 0.627 20 30 ECEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001107036458 759463540 /nfs/dbraw/zinc/46/35/40/759463540.db2.gz LLOJSMGFTUIYNS-OAGGEKHMSA-N 2 1 349.479 0.185 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707244 760041784 /nfs/dbraw/zinc/04/17/84/760041784.db2.gz XAILWUIITKEXFF-JKSUJKDBSA-N 2 1 336.480 0.623 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050526052 760431477 /nfs/dbraw/zinc/43/14/77/760431477.db2.gz RGKWOCZJYOMZMB-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000991487205 761178250 /nfs/dbraw/zinc/17/82/50/761178250.db2.gz RMJWOAFSEVHZQA-SJORKVTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000991487205 761178257 /nfs/dbraw/zinc/17/82/57/761178257.db2.gz RMJWOAFSEVHZQA-SJORKVTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000991487205 761178263 /nfs/dbraw/zinc/17/82/63/761178263.db2.gz RMJWOAFSEVHZQA-SJORKVTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000991487205 761178269 /nfs/dbraw/zinc/17/82/69/761178269.db2.gz RMJWOAFSEVHZQA-SJORKVTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106266552 768035312 /nfs/dbraw/zinc/03/53/12/768035312.db2.gz QBXNIIFQZVLSBU-ZACQAIPSSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC001106266552 768035315 /nfs/dbraw/zinc/03/53/15/768035315.db2.gz QBXNIIFQZVLSBU-ZACQAIPSSA-N 2 1 348.491 0.293 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001051931893 763370123 /nfs/dbraw/zinc/37/01/23/763370123.db2.gz IFHRCCZWBXYEMX-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036229 763647859 /nfs/dbraw/zinc/64/78/59/763647859.db2.gz ICFCFCCBHHVJAI-ZWKOTPCHSA-N 2 1 347.507 0.991 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036229 763647865 /nfs/dbraw/zinc/64/78/65/763647865.db2.gz ICFCFCCBHHVJAI-ZWKOTPCHSA-N 2 1 347.507 0.991 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001052122674 763947717 /nfs/dbraw/zinc/94/77/17/763947717.db2.gz YCQGGLVSQBQMHF-GOSISDBHSA-N 2 1 332.492 0.714 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089873323 764479435 /nfs/dbraw/zinc/47/94/35/764479435.db2.gz AHORNQXHOJYDPF-RDGPPVDQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089873323 764479443 /nfs/dbraw/zinc/47/94/43/764479443.db2.gz AHORNQXHOJYDPF-RDGPPVDQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2C)CC1 ZINC001089059819 764916997 /nfs/dbraw/zinc/91/69/97/764916997.db2.gz CYBTUQODTGTVOO-WBVHZDCISA-N 2 1 344.463 0.202 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089060103 764917872 /nfs/dbraw/zinc/91/78/72/764917872.db2.gz TWBPIBNIDVTZNL-RYRKJORJSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955216 764931105 /nfs/dbraw/zinc/93/11/05/764931105.db2.gz LUPSVRIZTLGMCF-LRRCMKHOSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955216 764931111 /nfs/dbraw/zinc/93/11/11/764931111.db2.gz LUPSVRIZTLGMCF-LRRCMKHOSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955216 764931116 /nfs/dbraw/zinc/93/11/16/764931116.db2.gz LUPSVRIZTLGMCF-LRRCMKHOSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC001016330867 766129872 /nfs/dbraw/zinc/12/98/72/766129872.db2.gz WEIXPICUYYNWGO-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC001016330867 766129876 /nfs/dbraw/zinc/12/98/76/766129876.db2.gz WEIXPICUYYNWGO-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254409 766533161 /nfs/dbraw/zinc/53/31/61/766533161.db2.gz VZVWSBHVBJCEFB-IXDOHACOSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254409 766533169 /nfs/dbraw/zinc/53/31/69/766533169.db2.gz VZVWSBHVBJCEFB-IXDOHACOSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212254409 766533176 /nfs/dbraw/zinc/53/31/76/766533176.db2.gz VZVWSBHVBJCEFB-IXDOHACOSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254409 766533180 /nfs/dbraw/zinc/53/31/80/766533180.db2.gz VZVWSBHVBJCEFB-IXDOHACOSA-N 2 1 339.480 0.877 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000994750866 766687823 /nfs/dbraw/zinc/68/78/23/766687823.db2.gz DLHIAGWSSIXFBR-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000994750866 766687829 /nfs/dbraw/zinc/68/78/29/766687829.db2.gz DLHIAGWSSIXFBR-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000994750866 766687831 /nfs/dbraw/zinc/68/78/31/766687831.db2.gz DLHIAGWSSIXFBR-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000994750866 766687837 /nfs/dbraw/zinc/68/78/37/766687837.db2.gz DLHIAGWSSIXFBR-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036390 766726778 /nfs/dbraw/zinc/72/67/78/766726778.db2.gz ITHJBNGZAXKAJO-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046036390 766726786 /nfs/dbraw/zinc/72/67/86/766726786.db2.gz ITHJBNGZAXKAJO-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046036390 766726795 /nfs/dbraw/zinc/72/67/95/766726795.db2.gz ITHJBNGZAXKAJO-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040255 766746414 /nfs/dbraw/zinc/74/64/14/766746414.db2.gz AKQXOFWNWSFHPO-RBUKOAKNSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040255 766746424 /nfs/dbraw/zinc/74/64/24/766746424.db2.gz AKQXOFWNWSFHPO-RBUKOAKNSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040255 766746429 /nfs/dbraw/zinc/74/64/29/766746429.db2.gz AKQXOFWNWSFHPO-RBUKOAKNSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513875 766753882 /nfs/dbraw/zinc/75/38/82/766753882.db2.gz WZZBKRRYXQZGSH-SUMDDJOVSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085812 766927602 /nfs/dbraw/zinc/92/76/02/766927602.db2.gz RMUNQHSHGOHHNE-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](CC#C)CC3)CC2)C1 ZINC001046086255 766928293 /nfs/dbraw/zinc/92/82/93/766928293.db2.gz NREPJTXSJYNOCC-IBGZPJMESA-N 2 1 342.487 0.183 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098780020 766986192 /nfs/dbraw/zinc/98/61/92/766986192.db2.gz OUHTUCPZNGHHOR-INIZCTEOSA-N 2 1 332.452 0.813 20 30 ECEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106668463 768583248 /nfs/dbraw/zinc/58/32/48/768583248.db2.gz LPMZVXUASFBUSD-HUUCEWRRSA-N 2 1 349.479 0.042 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055546075 769081616 /nfs/dbraw/zinc/08/16/16/769081616.db2.gz XBVYROLPFSTMBJ-QGZVFWFLSA-N 2 1 348.491 0.437 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055546075 769081625 /nfs/dbraw/zinc/08/16/25/769081625.db2.gz XBVYROLPFSTMBJ-QGZVFWFLSA-N 2 1 348.491 0.437 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055630952 769302131 /nfs/dbraw/zinc/30/21/31/769302131.db2.gz AVYCNIXRYWODFO-GJZGRUSLSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001055644967 769333023 /nfs/dbraw/zinc/33/30/23/769333023.db2.gz KFFUTPUOGMCCHQ-LSDHHAIUSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001018986164 770485465 /nfs/dbraw/zinc/48/54/65/770485465.db2.gz SWEDOEATJPOXFK-RDJZCZTQSA-N 2 1 329.448 0.251 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001018986164 770485471 /nfs/dbraw/zinc/48/54/71/770485471.db2.gz SWEDOEATJPOXFK-RDJZCZTQSA-N 2 1 329.448 0.251 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CC(OCC)C3)C2)CC1 ZINC001031435002 771069046 /nfs/dbraw/zinc/06/90/46/771069046.db2.gz MNRUVVWUKNQYSY-UHFFFAOYSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]C(C)C)nn2)C1 ZINC001089584524 771578718 /nfs/dbraw/zinc/57/87/18/771578718.db2.gz RQXZVUJZGOGNFB-IRXDYDNUSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]C(C)C)nn2)C1 ZINC001089584524 771578720 /nfs/dbraw/zinc/57/87/20/771578720.db2.gz RQXZVUJZGOGNFB-IRXDYDNUSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnns3)C2)CC1 ZINC001019816032 771831664 /nfs/dbraw/zinc/83/16/64/771831664.db2.gz QZZMHKORQHOCTB-AWEZNQCLSA-N 2 1 333.461 0.574 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390660 775525466 /nfs/dbraw/zinc/52/54/66/775525466.db2.gz TVWOXDDWCXVETF-HZPDHXFCSA-N 2 1 348.491 0.838 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685264 776039959 /nfs/dbraw/zinc/03/99/59/776039959.db2.gz GNKPTPOCBAEZAF-DLBZAZTESA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080382533 777773312 /nfs/dbraw/zinc/77/33/12/777773312.db2.gz PWPYRRVXLQASCH-DJIMGWMZSA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070096230 790591785 /nfs/dbraw/zinc/59/17/85/790591785.db2.gz ONFDQCBGEOCVHF-CABCVRRESA-N 2 1 329.408 0.401 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070096230 790591795 /nfs/dbraw/zinc/59/17/95/790591795.db2.gz ONFDQCBGEOCVHF-CABCVRRESA-N 2 1 329.408 0.401 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207967 783658880 /nfs/dbraw/zinc/65/88/80/783658880.db2.gz YDUWTMYPUDVEBD-BBWFWOEESA-N 2 1 344.463 0.231 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070217754 783678815 /nfs/dbraw/zinc/67/88/15/783678815.db2.gz QELOKYKOXRJPGP-MCIONIFRSA-N 2 1 340.859 0.712 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326949 783832211 /nfs/dbraw/zinc/83/22/11/783832211.db2.gz LBFKOCNWVIBRBP-MCIONIFRSA-N 2 1 338.843 0.324 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326949 783832213 /nfs/dbraw/zinc/83/22/13/783832213.db2.gz LBFKOCNWVIBRBP-MCIONIFRSA-N 2 1 338.843 0.324 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070388969 783939324 /nfs/dbraw/zinc/93/93/24/783939324.db2.gz WBXLRSHKDZIDRA-SJORKVTESA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070388969 783939328 /nfs/dbraw/zinc/93/93/28/783939328.db2.gz WBXLRSHKDZIDRA-SJORKVTESA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070388969 783939330 /nfs/dbraw/zinc/93/93/30/783939330.db2.gz WBXLRSHKDZIDRA-SJORKVTESA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070388969 783939336 /nfs/dbraw/zinc/93/93/36/783939336.db2.gz WBXLRSHKDZIDRA-SJORKVTESA-N 2 1 342.443 0.736 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710538 784579370 /nfs/dbraw/zinc/57/93/70/784579370.db2.gz GBNUSTCSDQIDDA-ARFHVFGLSA-N 2 1 329.448 0.279 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710622 784579400 /nfs/dbraw/zinc/57/94/00/784579400.db2.gz KMSMILPQSAOHDS-BZUAXINKSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CCCN1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277372 784923733 /nfs/dbraw/zinc/92/37/33/784923733.db2.gz SDZLAIJBTXMHES-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741959 787099463 /nfs/dbraw/zinc/09/94/63/787099463.db2.gz ZLJSZOYMNKOCBY-DLBZAZTESA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741959 787099469 /nfs/dbraw/zinc/09/94/69/787099469.db2.gz ZLJSZOYMNKOCBY-DLBZAZTESA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741959 787099476 /nfs/dbraw/zinc/09/94/76/787099476.db2.gz ZLJSZOYMNKOCBY-DLBZAZTESA-N 2 1 337.464 0.326 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H](CC)C(N)=O)C3)CC1 ZINC001073457438 789865729 /nfs/dbraw/zinc/86/57/29/789865729.db2.gz QFMPLJKCMFDZIM-MRXNPFEDSA-N 2 1 346.475 0.130 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930625 790203656 /nfs/dbraw/zinc/20/36/56/790203656.db2.gz VGMXWEIUAJPRPF-VQHPVUNQSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930625 790203660 /nfs/dbraw/zinc/20/36/60/790203660.db2.gz VGMXWEIUAJPRPF-VQHPVUNQSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930625 790203664 /nfs/dbraw/zinc/20/36/64/790203664.db2.gz VGMXWEIUAJPRPF-VQHPVUNQSA-N 2 1 346.479 0.926 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531321 837703445 /nfs/dbraw/zinc/70/34/45/837703445.db2.gz QBEVXTGXMOCYBX-HZPDHXFCSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267557269 837765561 /nfs/dbraw/zinc/76/55/61/837765561.db2.gz BBWSPDFKMUEBOR-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267557269 837765570 /nfs/dbraw/zinc/76/55/70/837765570.db2.gz BBWSPDFKMUEBOR-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267557269 837765577 /nfs/dbraw/zinc/76/55/77/837765577.db2.gz BBWSPDFKMUEBOR-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001267557269 837765594 /nfs/dbraw/zinc/76/55/94/837765594.db2.gz BBWSPDFKMUEBOR-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267565498 837781456 /nfs/dbraw/zinc/78/14/56/837781456.db2.gz NYQQJOITFFRELM-HZPDHXFCSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267565498 837781463 /nfs/dbraw/zinc/78/14/63/837781463.db2.gz NYQQJOITFFRELM-HZPDHXFCSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267565498 837781470 /nfs/dbraw/zinc/78/14/70/837781470.db2.gz NYQQJOITFFRELM-HZPDHXFCSA-N 2 1 336.480 0.459 20 30 ECEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266325801 835703154 /nfs/dbraw/zinc/70/31/54/835703154.db2.gz SCCVOZVWNODGJV-INIZCTEOSA-N 2 1 337.464 0.185 20 30 ECEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266325801 835703158 /nfs/dbraw/zinc/70/31/58/835703158.db2.gz SCCVOZVWNODGJV-INIZCTEOSA-N 2 1 337.464 0.185 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266560379 835988629 /nfs/dbraw/zinc/98/86/29/835988629.db2.gz JYVRTQWTUQMAMJ-RDJZCZTQSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266620060 836056192 /nfs/dbraw/zinc/05/61/92/836056192.db2.gz KQKZKSCPWFTIHJ-RBSFLKMASA-N 2 1 345.447 0.293 20 30 ECEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266716850 836191527 /nfs/dbraw/zinc/19/15/27/836191527.db2.gz QZOJNMSNDYRILH-ZNMIVQPWSA-N 2 1 335.452 0.126 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266752518 836245481 /nfs/dbraw/zinc/24/54/81/836245481.db2.gz SXNMTPOTPWYQJH-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266752518 836245488 /nfs/dbraw/zinc/24/54/88/836245488.db2.gz SXNMTPOTPWYQJH-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266752518 836245498 /nfs/dbraw/zinc/24/54/98/836245498.db2.gz SXNMTPOTPWYQJH-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001266758754 836255613 /nfs/dbraw/zinc/25/56/13/836255613.db2.gz ZPZXTIYQYHOZIR-OAHLLOKOSA-N 2 1 349.479 0.329 20 30 ECEDMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001266758754 836255625 /nfs/dbraw/zinc/25/56/25/836255625.db2.gz ZPZXTIYQYHOZIR-OAHLLOKOSA-N 2 1 349.479 0.329 20 30 ECEDMP CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CC(=O)NCC#N ZINC001267254696 837077329 /nfs/dbraw/zinc/07/73/29/837077329.db2.gz ZVLYLSKZYRHTBF-UHFFFAOYSA-N 2 1 337.468 0.185 20 30 ECEDMP CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CC(=O)NCC#N ZINC001267254696 837077335 /nfs/dbraw/zinc/07/73/35/837077335.db2.gz ZVLYLSKZYRHTBF-UHFFFAOYSA-N 2 1 337.468 0.185 20 30 ECEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267308578 837182628 /nfs/dbraw/zinc/18/26/28/837182628.db2.gz BWQBOXXIIWOWGZ-HOTGVXAUSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267308578 837182632 /nfs/dbraw/zinc/18/26/32/837182632.db2.gz BWQBOXXIIWOWGZ-HOTGVXAUSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267308578 837182639 /nfs/dbraw/zinc/18/26/39/837182639.db2.gz BWQBOXXIIWOWGZ-HOTGVXAUSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267308578 837182645 /nfs/dbraw/zinc/18/26/45/837182645.db2.gz BWQBOXXIIWOWGZ-HOTGVXAUSA-N 2 1 325.453 0.348 20 30 ECEDMP COCC#CC[N@@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001267338143 837222453 /nfs/dbraw/zinc/22/24/53/837222453.db2.gz RECAQRBWCJMTPD-INIZCTEOSA-N 2 1 337.464 0.185 20 30 ECEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267582882 837849111 /nfs/dbraw/zinc/84/91/11/837849111.db2.gz MOSGEXZVYGXOHM-INIZCTEOSA-N 2 1 331.464 0.862 20 30 ECEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267632312 838093725 /nfs/dbraw/zinc/09/37/25/838093725.db2.gz NSUPERLDKLSTFD-INIZCTEOSA-N 2 1 339.480 0.880 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C1 ZINC001267823052 838614420 /nfs/dbraw/zinc/61/44/20/838614420.db2.gz OBHAJQOXAYKMIV-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C1 ZINC001267823052 838614423 /nfs/dbraw/zinc/61/44/23/838614423.db2.gz OBHAJQOXAYKMIV-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CC[NH+](CC(C)C)CC1 ZINC000262768638 278168547 /nfs/dbraw/zinc/16/85/47/278168547.db2.gz GWMJMESOCRVPKB-KRWDZBQOSA-N 3 1 336.528 0.225 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000076947868 436221134 /nfs/dbraw/zinc/22/11/34/436221134.db2.gz NHYOZBRZROWWKV-UHFFFAOYSA-N 2 1 337.512 0.964 20 30 ECEDMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000150997175 436694508 /nfs/dbraw/zinc/69/45/08/436694508.db2.gz SQQDSKAOISDBHL-UHFFFAOYSA-N 2 1 337.468 0.186 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262026514 436902138 /nfs/dbraw/zinc/90/21/38/436902138.db2.gz ZUSRNQCNFUAIOG-HNNXBMFYSA-N 2 1 340.903 0.932 20 30 ECEDMP COc1ccc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264113421 437017073 /nfs/dbraw/zinc/01/70/73/437017073.db2.gz RRDPROHSDJLIHY-INIZCTEOSA-N 2 1 336.436 0.355 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1 ZINC000264100118 437017357 /nfs/dbraw/zinc/01/73/57/437017357.db2.gz MNRPQTFAVFTEKM-CYBMUJFWSA-N 2 1 339.465 0.223 20 30 ECEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000329390080 437361425 /nfs/dbraw/zinc/36/14/25/437361425.db2.gz USYMCQMPSYHJEE-HNNXBMFYSA-N 2 1 325.501 0.999 20 30 ECEDMP COCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267421359 437327397 /nfs/dbraw/zinc/32/73/97/437327397.db2.gz KTKCZAIBMSJIDJ-MRXNPFEDSA-N 2 1 347.463 0.435 20 30 ECEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000329567877 437384497 /nfs/dbraw/zinc/38/44/97/437384497.db2.gz TXRWYIHSQOAOLP-ZFWWWQNUSA-N 2 1 330.498 0.336 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343757530 437646902 /nfs/dbraw/zinc/64/69/02/437646902.db2.gz GHELJHKKONIQIE-HOCLYGCPSA-N 2 1 336.480 0.742 20 30 ECEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331099398 437686515 /nfs/dbraw/zinc/68/65/15/437686515.db2.gz CFFBUXLMMDNBGN-CABCVRRESA-N 2 1 339.484 0.479 20 30 ECEDMP CN(CCC#N)C(=O)CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362490032 437740409 /nfs/dbraw/zinc/74/04/09/437740409.db2.gz YTDKHIQIULCBOY-KRWDZBQOSA-N 2 1 335.496 0.849 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340826832 437746511 /nfs/dbraw/zinc/74/65/11/437746511.db2.gz OVWNQSQHRHZRCT-CVEARBPZSA-N 2 1 334.464 0.496 20 30 ECEDMP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971405 /nfs/dbraw/zinc/97/14/05/437971405.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971410 /nfs/dbraw/zinc/97/14/10/437971410.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971413 /nfs/dbraw/zinc/97/14/13/437971413.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 2 1 336.432 0.757 20 30 ECEDMP CCN(CCC#N)C(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000376865119 438295881 /nfs/dbraw/zinc/29/58/81/438295881.db2.gz UFFHHEWBHUMRJB-MRXNPFEDSA-N 2 1 335.496 0.849 20 30 ECEDMP C[NH+](CC#CC[N@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000551386749 438738000 /nfs/dbraw/zinc/73/80/00/438738000.db2.gz BNNQZMNQIQTXNA-UHFFFAOYSA-N 2 1 334.464 0.098 20 30 ECEDMP C[NH+](CC#CC[N@@H+](C)CCN1CCCC1=O)CCN1CCCC1=O ZINC000551386749 438738006 /nfs/dbraw/zinc/73/80/06/438738006.db2.gz BNNQZMNQIQTXNA-UHFFFAOYSA-N 2 1 334.464 0.098 20 30 ECEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451678507 438708383 /nfs/dbraw/zinc/70/83/83/438708383.db2.gz ILLMHDCNEQUUOJ-BBWFWOEESA-N 2 1 339.480 0.783 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)CC1 ZINC000557631887 438803424 /nfs/dbraw/zinc/80/34/24/438803424.db2.gz NYZGQRBSXKUATI-QGZVFWFLSA-N 2 1 334.464 0.934 20 30 ECEDMP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591419208 439012902 /nfs/dbraw/zinc/01/29/02/439012902.db2.gz RIYAJDGYEUUVDD-AWEZNQCLSA-N 2 1 343.431 0.056 20 30 ECEDMP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591419208 439012907 /nfs/dbraw/zinc/01/29/07/439012907.db2.gz RIYAJDGYEUUVDD-AWEZNQCLSA-N 2 1 343.431 0.056 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000491716234 439435278 /nfs/dbraw/zinc/43/52/78/439435278.db2.gz MPFDCOUCKLLKJE-GOSISDBHSA-N 2 1 349.523 0.753 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000491716234 439435281 /nfs/dbraw/zinc/43/52/81/439435281.db2.gz MPFDCOUCKLLKJE-GOSISDBHSA-N 2 1 349.523 0.753 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000491716234 439435284 /nfs/dbraw/zinc/43/52/84/439435284.db2.gz MPFDCOUCKLLKJE-GOSISDBHSA-N 2 1 349.523 0.753 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1C#N ZINC000599337673 439440379 /nfs/dbraw/zinc/44/03/79/439440379.db2.gz DQEQXTADBMYERK-GOSISDBHSA-N 2 1 346.475 0.867 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000491815754 439458299 /nfs/dbraw/zinc/45/82/99/439458299.db2.gz LOAYYWSSVHUDEH-DLBZAZTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000491815754 439458306 /nfs/dbraw/zinc/45/83/06/439458306.db2.gz LOAYYWSSVHUDEH-DLBZAZTESA-N 2 1 336.480 0.884 20 30 ECEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710993 439853903 /nfs/dbraw/zinc/85/39/03/439853903.db2.gz KPZGVHRJXXJESM-QAPCUYQASA-N 2 1 336.480 0.744 20 30 ECEDMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)n1cnc(C#N)n1 ZINC000545273229 322107965 /nfs/dbraw/zinc/10/79/65/322107965.db2.gz RSFYLSNKLHDBNM-CYBMUJFWSA-N 2 1 333.440 0.195 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769313542 579142591 /nfs/dbraw/zinc/14/25/91/579142591.db2.gz HIRFJDWMIDPWNB-BZSNNMDCSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000769313542 579142592 /nfs/dbraw/zinc/14/25/92/579142592.db2.gz HIRFJDWMIDPWNB-BZSNNMDCSA-N 2 1 333.476 0.968 20 30 ECEDMP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000764118867 579571291 /nfs/dbraw/zinc/57/12/91/579571291.db2.gz NPZXFIWJIUELLW-UHFFFAOYSA-N 2 1 332.452 0.223 20 30 ECEDMP C[NH+]1CCN([C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c2ccccc2)CC1 ZINC000834495377 588903082 /nfs/dbraw/zinc/90/30/82/588903082.db2.gz UZNGBLQIIYYKOX-IKGGRYGDSA-N 2 1 327.432 0.203 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000900592243 586645089 /nfs/dbraw/zinc/64/50/89/586645089.db2.gz XHEMLIFPVNGZEQ-WCVJEAGWSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000848221123 589283795 /nfs/dbraw/zinc/28/37/95/589283795.db2.gz PIFQEFQODAYBII-KRWDZBQOSA-N 2 1 349.475 0.864 20 30 ECEDMP C[NH+]=C(NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)NC1CC1 ZINC000849046610 589318532 /nfs/dbraw/zinc/31/85/32/589318532.db2.gz ADIYWSBVALOAGF-UHFFFAOYSA-N 2 1 329.448 0.902 20 30 ECEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000852913073 589525403 /nfs/dbraw/zinc/52/54/03/589525403.db2.gz MMMFYNNDNKQZSA-GOSISDBHSA-N 3 1 332.492 0.616 20 30 ECEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000852913073 589525404 /nfs/dbraw/zinc/52/54/04/589525404.db2.gz MMMFYNNDNKQZSA-GOSISDBHSA-N 3 1 332.492 0.616 20 30 ECEDMP CO[C@@H]1COCC[C@H]1[NH+](C)CC#CC[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433390 590392969 /nfs/dbraw/zinc/39/29/69/590392969.db2.gz WKYFZBGLBJUBGC-XMTFNYHQSA-N 2 1 340.464 0.461 20 30 ECEDMP CO[C@@H]1COCC[C@H]1[N@@H+](C)CC#CC[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880433390 590392972 /nfs/dbraw/zinc/39/29/72/590392972.db2.gz WKYFZBGLBJUBGC-XMTFNYHQSA-N 2 1 340.464 0.461 20 30 ECEDMP CO[C@@H]1COCC[C@H]1[N@H+](C)CC#CC[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880433390 590392973 /nfs/dbraw/zinc/39/29/73/590392973.db2.gz WKYFZBGLBJUBGC-XMTFNYHQSA-N 2 1 340.464 0.461 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881622835 590460999 /nfs/dbraw/zinc/46/09/99/590460999.db2.gz QLSGOIRLTPNFFQ-INIZCTEOSA-N 2 1 346.475 0.416 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881622835 590461001 /nfs/dbraw/zinc/46/10/01/590461001.db2.gz QLSGOIRLTPNFFQ-INIZCTEOSA-N 2 1 346.475 0.416 20 30 ECEDMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884316342 590803546 /nfs/dbraw/zinc/80/35/46/590803546.db2.gz PSBYSFDSGSKVBV-CQDIZWNASA-N 2 1 348.447 0.222 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000938170051 609481521 /nfs/dbraw/zinc/48/15/21/609481521.db2.gz BYSSJPUOWXJOSG-ULQDDVLXSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000938170051 609481523 /nfs/dbraw/zinc/48/15/23/609481523.db2.gz BYSSJPUOWXJOSG-ULQDDVLXSA-N 2 1 346.475 0.141 20 30 ECEDMP C=C1[C@@H](C(=O)N2CCN(CC)CC2)[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000033510327 610001606 /nfs/dbraw/zinc/00/16/06/610001606.db2.gz QQRMUHPWGQCVHA-HZPDHXFCSA-N 2 1 334.464 0.117 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncn3C)C2)CC1 ZINC000939811782 610137348 /nfs/dbraw/zinc/13/73/48/610137348.db2.gz UKVQZDYSHVCAGO-GDBMZVCRSA-N 2 1 344.463 0.097 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824422 611174565 /nfs/dbraw/zinc/17/45/65/611174565.db2.gz MGMRAPARKGKOMU-HDICACEKSA-N 2 1 333.476 0.902 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824422 611174566 /nfs/dbraw/zinc/17/45/66/611174566.db2.gz MGMRAPARKGKOMU-HDICACEKSA-N 2 1 333.476 0.902 20 30 ECEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083134226 612471460 /nfs/dbraw/zinc/47/14/60/612471460.db2.gz OTWILWVEOTWAIT-HNNXBMFYSA-N 2 1 341.459 0.977 20 30 ECEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083134226 612471463 /nfs/dbraw/zinc/47/14/63/612471463.db2.gz OTWILWVEOTWAIT-HNNXBMFYSA-N 2 1 341.459 0.977 20 30 ECEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098561282 735485121 /nfs/dbraw/zinc/48/51/21/735485121.db2.gz ZQMZQPSNBJVIHF-MRXNPFEDSA-N 2 1 339.480 0.426 20 30 ECEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561282 735485124 /nfs/dbraw/zinc/48/51/24/735485124.db2.gz ZQMZQPSNBJVIHF-MRXNPFEDSA-N 2 1 339.480 0.426 20 30 ECEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561282 735485127 /nfs/dbraw/zinc/48/51/27/735485127.db2.gz ZQMZQPSNBJVIHF-MRXNPFEDSA-N 2 1 339.480 0.426 20 30 ECEDMP CN1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)C1 ZINC000971271041 734414693 /nfs/dbraw/zinc/41/46/93/734414693.db2.gz JNPIWEYQPFNYCH-BBRMVZONSA-N 2 1 348.472 0.983 20 30 ECEDMP CN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000971271041 734414697 /nfs/dbraw/zinc/41/46/97/734414697.db2.gz JNPIWEYQPFNYCH-BBRMVZONSA-N 2 1 348.472 0.983 20 30 ECEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174840 782430736 /nfs/dbraw/zinc/43/07/36/782430736.db2.gz UNPTXOJBJULQML-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174840 782430741 /nfs/dbraw/zinc/43/07/41/782430741.db2.gz UNPTXOJBJULQML-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174840 782430745 /nfs/dbraw/zinc/43/07/45/782430745.db2.gz UNPTXOJBJULQML-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174840 782430750 /nfs/dbraw/zinc/43/07/50/782430750.db2.gz UNPTXOJBJULQML-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410579 736144105 /nfs/dbraw/zinc/14/41/05/736144105.db2.gz SRZYBEYUFKOVMI-IEBWSBKVSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227450 782523657 /nfs/dbraw/zinc/52/36/57/782523657.db2.gz ZVRWHGXEVCLJTP-RCCFBDPRSA-N 2 1 349.475 0.062 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001023093815 736483275 /nfs/dbraw/zinc/48/32/75/736483275.db2.gz OPCVUFPFJRYYRB-ZNMIVQPWSA-N 2 1 331.420 0.215 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncs3)C2)CC1 ZINC001023127965 736520133 /nfs/dbraw/zinc/52/01/33/736520133.db2.gz LBQQSJYUVFEWTM-OKILXGFUSA-N 2 1 333.461 0.620 20 30 ECEDMP C#CCN1CCC2(CC1)CN(C(=O)[C@H]1CN(C)CCO1)C[C@H](C)O2 ZINC001098577377 736914513 /nfs/dbraw/zinc/91/45/13/736914513.db2.gz CTTDLOQVFDBRIC-JKSUJKDBSA-N 2 1 335.448 0.032 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676674 739458151 /nfs/dbraw/zinc/45/81/51/739458151.db2.gz SZDLRCJGFQZRCT-BRWVUGGUSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629553 739794561 /nfs/dbraw/zinc/79/45/61/739794561.db2.gz IIOURKYKNMKMFN-AEFFLSMTSA-N 2 1 335.492 0.931 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCO)CC2)C1 ZINC001098604789 740179667 /nfs/dbraw/zinc/17/96/67/740179667.db2.gz ASMPRUTYYONJNZ-SJORKVTESA-N 2 1 349.475 0.158 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)OC2(CC[NH+](CCO)CC2)C1 ZINC001098604789 740179671 /nfs/dbraw/zinc/17/96/71/740179671.db2.gz ASMPRUTYYONJNZ-SJORKVTESA-N 2 1 349.475 0.158 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001026043574 740336536 /nfs/dbraw/zinc/33/65/36/740336536.db2.gz NVZSNMWJNRJCET-RNGZQALNSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001026043574 740336539 /nfs/dbraw/zinc/33/65/39/740336539.db2.gz NVZSNMWJNRJCET-RNGZQALNSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001026043574 740336542 /nfs/dbraw/zinc/33/65/42/740336542.db2.gz NVZSNMWJNRJCET-RNGZQALNSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243530 741542310 /nfs/dbraw/zinc/54/23/10/741542310.db2.gz CAEGSZJSOOXDOY-JKSUJKDBSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243530 741542314 /nfs/dbraw/zinc/54/23/14/741542314.db2.gz CAEGSZJSOOXDOY-JKSUJKDBSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001105283060 741642749 /nfs/dbraw/zinc/64/27/49/741642749.db2.gz CKEWYWAAUWIUOC-UHFFFAOYSA-N 2 1 343.435 0.922 20 30 ECEDMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261967897 743196926 /nfs/dbraw/zinc/19/69/26/743196926.db2.gz LXQTWENIVORGAH-GOSISDBHSA-N 2 1 337.512 0.702 20 30 ECEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])N2CCSCC2)CC1 ZINC000262022940 743478369 /nfs/dbraw/zinc/47/83/69/743478369.db2.gz YJMARGPUWCTDOM-UHFFFAOYSA-N 2 1 334.493 0.697 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001020591308 751857977 /nfs/dbraw/zinc/85/79/77/751857977.db2.gz KKSQELUUIJSIER-BZUAXINKSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997831865 743841868 /nfs/dbraw/zinc/84/18/68/743841868.db2.gz NIHXHICOXLUMKB-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997831865 743841870 /nfs/dbraw/zinc/84/18/70/743841870.db2.gz NIHXHICOXLUMKB-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000998267416 744087702 /nfs/dbraw/zinc/08/77/02/744087702.db2.gz XLYMNQNSJGVVKO-DLBZAZTESA-N 2 1 348.491 0.553 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC000999389690 744670373 /nfs/dbraw/zinc/67/03/73/744670373.db2.gz AHNWANIHHAFKTO-AEFFLSMTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC000999389690 744670375 /nfs/dbraw/zinc/67/03/75/744670375.db2.gz AHNWANIHHAFKTO-AEFFLSMTSA-N 2 1 341.459 0.963 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000999725876 744871513 /nfs/dbraw/zinc/87/15/13/744871513.db2.gz NNVFPOJHVALYDC-JKSUJKDBSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000999725868 744871619 /nfs/dbraw/zinc/87/16/19/744871619.db2.gz NNVFPOJHVALYDC-HZPDHXFCSA-N 2 1 345.447 0.559 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990360 745147634 /nfs/dbraw/zinc/14/76/34/745147634.db2.gz JUSBSQZQNQNMHU-SJORKVTESA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990360 745147636 /nfs/dbraw/zinc/14/76/36/745147636.db2.gz JUSBSQZQNQNMHU-SJORKVTESA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990360 745147639 /nfs/dbraw/zinc/14/76/39/745147639.db2.gz JUSBSQZQNQNMHU-SJORKVTESA-N 2 1 344.463 0.647 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995448 745154558 /nfs/dbraw/zinc/15/45/58/745154558.db2.gz GHFJPUNULYPDIC-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995448 745154559 /nfs/dbraw/zinc/15/45/59/745154559.db2.gz GHFJPUNULYPDIC-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995448 745154560 /nfs/dbraw/zinc/15/45/60/745154560.db2.gz GHFJPUNULYPDIC-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656372 745348243 /nfs/dbraw/zinc/34/82/43/745348243.db2.gz PVZDARFUHFFMSY-ZFWWWQNUSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656372 745348249 /nfs/dbraw/zinc/34/82/49/745348249.db2.gz PVZDARFUHFFMSY-ZFWWWQNUSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC000983900107 745476157 /nfs/dbraw/zinc/47/61/57/745476157.db2.gz DWSLJBCJRLTXEK-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC000983900107 745476160 /nfs/dbraw/zinc/47/61/60/745476160.db2.gz DWSLJBCJRLTXEK-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC000983900736 745479757 /nfs/dbraw/zinc/47/97/57/745479757.db2.gz JEUAUVDZCVLUPA-BQFCYCMXSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC000983900736 745479760 /nfs/dbraw/zinc/47/97/60/745479760.db2.gz JEUAUVDZCVLUPA-BQFCYCMXSA-N 2 1 341.459 0.867 20 30 ECEDMP [NH2+]=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ncccn2)CC1 ZINC000262446493 747561992 /nfs/dbraw/zinc/56/19/92/747561992.db2.gz CTUGZBWQVLBYOC-CYBMUJFWSA-N 2 1 326.408 0.125 20 30 ECEDMP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239716 747935144 /nfs/dbraw/zinc/93/51/44/747935144.db2.gz DVBMWPHVCPOWGX-ZWKOTPCHSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239716 747935147 /nfs/dbraw/zinc/93/51/47/747935147.db2.gz DVBMWPHVCPOWGX-ZWKOTPCHSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239716 747935153 /nfs/dbraw/zinc/93/51/53/747935153.db2.gz DVBMWPHVCPOWGX-ZWKOTPCHSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2nonc2C)CC1 ZINC000985475339 748215968 /nfs/dbraw/zinc/21/59/68/748215968.db2.gz KNAJCRHZCSMEPF-KRWDZBQOSA-N 2 1 345.447 0.898 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCN(C)C3=O)C2)CC1 ZINC000980477488 749629925 /nfs/dbraw/zinc/62/99/25/749629925.db2.gz HAWGZICATUHPJE-IRXDYDNUSA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000981332590 750591075 /nfs/dbraw/zinc/59/10/75/750591075.db2.gz CCFPZJNITUDMHM-IRXDYDNUSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001006314502 751233577 /nfs/dbraw/zinc/23/35/77/751233577.db2.gz LNNCJTXJHVMJKZ-UAGQMJEPSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC001007518519 752474451 /nfs/dbraw/zinc/47/44/51/752474451.db2.gz CGKBFLBMFMOBCN-AEFFLSMTSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(CC)n3)C2)CC1 ZINC001021092095 752532840 /nfs/dbraw/zinc/53/28/40/752532840.db2.gz FNCLTYBNFDXAGS-WKILWMFISA-N 2 1 344.463 0.380 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000938096142 753257150 /nfs/dbraw/zinc/25/71/50/753257150.db2.gz WBYHZDQUQGDVKJ-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105376903 754066351 /nfs/dbraw/zinc/06/63/51/754066351.db2.gz KJVFLJKJGFJCQQ-INIZCTEOSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001075945261 754310271 /nfs/dbraw/zinc/31/02/71/754310271.db2.gz IQEFVFNYGTZGGU-DOTOQJQBSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001009629669 755090500 /nfs/dbraw/zinc/09/05/00/755090500.db2.gz UHIKXYVTYKGJJO-GOSISDBHSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001009629669 755090507 /nfs/dbraw/zinc/09/05/07/755090507.db2.gz UHIKXYVTYKGJJO-GOSISDBHSA-N 2 1 343.475 0.846 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070306 756055198 /nfs/dbraw/zinc/05/51/98/756055198.db2.gz DEVWOKHMNWHDHW-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070306 756055206 /nfs/dbraw/zinc/05/52/06/756055206.db2.gz DEVWOKHMNWHDHW-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070306 756055209 /nfs/dbraw/zinc/05/52/09/756055209.db2.gz DEVWOKHMNWHDHW-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001077125257 758290592 /nfs/dbraw/zinc/29/05/92/758290592.db2.gz QGQQYBPIIGUUSO-BHYGNILZSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001077125257 758290602 /nfs/dbraw/zinc/29/06/02/758290602.db2.gz QGQQYBPIIGUUSO-BHYGNILZSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccns2)C1 ZINC001051660014 762616707 /nfs/dbraw/zinc/61/67/07/762616707.db2.gz IVHMUMJJSFBNNU-HOCLYGCPSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccns2)C1 ZINC001051660014 762616710 /nfs/dbraw/zinc/61/67/10/762616710.db2.gz IVHMUMJJSFBNNU-HOCLYGCPSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2snnc2C)C1 ZINC001022220903 758441193 /nfs/dbraw/zinc/44/11/93/758441193.db2.gz UCKFGVBVQKKYPH-MJBXVCDLSA-N 2 1 333.461 0.681 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2snnc2C)C1 ZINC001022220903 758441200 /nfs/dbraw/zinc/44/12/00/758441200.db2.gz UCKFGVBVQKKYPH-MJBXVCDLSA-N 2 1 333.461 0.681 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC000996687473 758475196 /nfs/dbraw/zinc/47/51/96/758475196.db2.gz WTWSHAFWNFUHLZ-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC000996687473 758475204 /nfs/dbraw/zinc/47/52/04/758475204.db2.gz WTWSHAFWNFUHLZ-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC(C)C)C[C@@H]2O)CC1 ZINC001047638561 759374710 /nfs/dbraw/zinc/37/47/10/759374710.db2.gz YJZXENISIIKZJH-ROUUACIJSA-N 2 1 335.492 0.881 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)CC1 ZINC001032205365 759614166 /nfs/dbraw/zinc/61/41/66/759614166.db2.gz WUORZBCAKBTBEO-UHFFFAOYSA-N 2 1 329.448 0.313 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001050208200 759942519 /nfs/dbraw/zinc/94/25/19/759942519.db2.gz GQCJKXSVDLDIDV-BPQIPLTHSA-N 2 1 333.476 0.635 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777378 763109214 /nfs/dbraw/zinc/10/92/14/763109214.db2.gz URFXLCUIDNYZDM-QAPCUYQASA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777378 763109217 /nfs/dbraw/zinc/10/92/17/763109217.db2.gz URFXLCUIDNYZDM-QAPCUYQASA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777369 763109298 /nfs/dbraw/zinc/10/92/98/763109298.db2.gz URFXLCUIDNYZDM-CRAIPNDOSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777369 763109305 /nfs/dbraw/zinc/10/93/05/763109305.db2.gz URFXLCUIDNYZDM-CRAIPNDOSA-N 2 1 346.475 0.450 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001051932011 763371108 /nfs/dbraw/zinc/37/11/08/763371108.db2.gz KGGDEGRYNSKQCB-UONOGXRCSA-N 2 1 348.472 0.888 20 30 ECEDMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001127702911 763612441 /nfs/dbraw/zinc/61/24/41/763612441.db2.gz MPOLNNLGWBITPN-HOTGVXAUSA-N 2 1 344.463 0.560 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026244 763618966 /nfs/dbraw/zinc/61/89/66/763618966.db2.gz COWCPWHBFAIJLI-MSOLQXFVSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044739 763679794 /nfs/dbraw/zinc/67/97/94/763679794.db2.gz LDGARJQHGXWWQH-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074260 763779415 /nfs/dbraw/zinc/77/94/15/763779415.db2.gz YAIHNAPBBPJRKI-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081354 763797082 /nfs/dbraw/zinc/79/70/82/763797082.db2.gz AETWYRYKTIYURO-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001019031258 770604938 /nfs/dbraw/zinc/60/49/38/770604938.db2.gz HOGLIWJWHTXAEH-FRRDWIJNSA-N 2 1 346.269 0.805 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001019031258 770604946 /nfs/dbraw/zinc/60/49/46/770604946.db2.gz HOGLIWJWHTXAEH-FRRDWIJNSA-N 2 1 346.269 0.805 20 30 ECEDMP C#CCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778017 764105314 /nfs/dbraw/zinc/10/53/14/764105314.db2.gz XVFMNCZLKBZZCW-JKIFEVAISA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778017 764105321 /nfs/dbraw/zinc/10/53/21/764105321.db2.gz XVFMNCZLKBZZCW-JKIFEVAISA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778017 764105324 /nfs/dbraw/zinc/10/53/24/764105324.db2.gz XVFMNCZLKBZZCW-JKIFEVAISA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778017 764105339 /nfs/dbraw/zinc/10/53/39/764105339.db2.gz XVFMNCZLKBZZCW-JKIFEVAISA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098763234 764333052 /nfs/dbraw/zinc/33/30/52/764333052.db2.gz VPPKBWZGFWJOAZ-MRXNPFEDSA-N 2 1 332.452 0.506 20 30 ECEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047528631 764603548 /nfs/dbraw/zinc/60/35/48/764603548.db2.gz VEEIBTPQLPMZBV-ZQIUZPCESA-N 2 1 327.444 0.888 20 30 ECEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047528631 764603555 /nfs/dbraw/zinc/60/35/55/764603555.db2.gz VEEIBTPQLPMZBV-ZQIUZPCESA-N 2 1 327.444 0.888 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047528631 764603563 /nfs/dbraw/zinc/60/35/63/764603563.db2.gz VEEIBTPQLPMZBV-ZQIUZPCESA-N 2 1 327.444 0.888 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528631 764603570 /nfs/dbraw/zinc/60/35/70/764603570.db2.gz VEEIBTPQLPMZBV-ZQIUZPCESA-N 2 1 327.444 0.888 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875558 764609975 /nfs/dbraw/zinc/60/99/75/764609975.db2.gz MVZULCVRFMFPMR-RDGPPVDQSA-N 2 1 345.487 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875558 764609977 /nfs/dbraw/zinc/60/99/77/764609977.db2.gz MVZULCVRFMFPMR-RDGPPVDQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC001052954513 765409123 /nfs/dbraw/zinc/40/91/23/765409123.db2.gz OSOKPDDFBHPCBG-DOTOQJQBSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)CC1 ZINC001016331726 766132768 /nfs/dbraw/zinc/13/27/68/766132768.db2.gz KWCJSXVJKJFPRD-GOSISDBHSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)CC1 ZINC001045895608 766478146 /nfs/dbraw/zinc/47/81/46/766478146.db2.gz LBNMXZBGNXUVPM-UAGQMJEPSA-N 2 1 346.475 0.271 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000994753559 766711087 /nfs/dbraw/zinc/71/10/87/766711087.db2.gz IOPFDGMBGQZXAE-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000994753559 766711092 /nfs/dbraw/zinc/71/10/92/766711092.db2.gz IOPFDGMBGQZXAE-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000994753559 766711097 /nfs/dbraw/zinc/71/10/97/766711097.db2.gz IOPFDGMBGQZXAE-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000994753559 766711103 /nfs/dbraw/zinc/71/11/03/766711103.db2.gz IOPFDGMBGQZXAE-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036856 766729517 /nfs/dbraw/zinc/72/95/17/766729517.db2.gz HTIAWWJGQCIXEF-MSOLQXFVSA-N 2 1 334.508 0.814 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064841 766845897 /nfs/dbraw/zinc/84/58/97/766845897.db2.gz WHSVYYYWWIEWDE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064841 766845908 /nfs/dbraw/zinc/84/59/08/766845908.db2.gz WHSVYYYWWIEWDE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064841 766845918 /nfs/dbraw/zinc/84/59/18/766845918.db2.gz WHSVYYYWWIEWDE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046074122 766889874 /nfs/dbraw/zinc/88/98/74/766889874.db2.gz SKFXCXQVNLSNNE-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001031812735 767262467 /nfs/dbraw/zinc/26/24/67/767262467.db2.gz IPMMNPVFOYGKTD-INIZCTEOSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148599 767358827 /nfs/dbraw/zinc/35/88/27/767358827.db2.gz UTWZMRGBJPOPOS-KLHDSHLOSA-N 2 1 336.480 0.313 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCC=C)C3)C2)CC1 ZINC001054015735 767605557 /nfs/dbraw/zinc/60/55/57/767605557.db2.gz NZCYKBGNMJXTKZ-KRWDZBQOSA-N 2 1 331.460 0.867 20 30 ECEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055545476 769080585 /nfs/dbraw/zinc/08/05/85/769080585.db2.gz JOCFFBFCDYBNOG-QGZVFWFLSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055545476 769080596 /nfs/dbraw/zinc/08/05/96/769080596.db2.gz JOCFFBFCDYBNOG-QGZVFWFLSA-N 2 1 348.491 0.581 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578610 769174536 /nfs/dbraw/zinc/17/45/36/769174536.db2.gz QSXCBRGBWCVIGA-MRXNPFEDSA-N 2 1 348.491 0.294 20 30 ECEDMP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055589295 769192815 /nfs/dbraw/zinc/19/28/15/769192815.db2.gz FLPBDKKVMLZSEK-UHFFFAOYSA-N 2 1 348.491 0.437 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055589295 769192819 /nfs/dbraw/zinc/19/28/19/769192819.db2.gz FLPBDKKVMLZSEK-UHFFFAOYSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839372 770027899 /nfs/dbraw/zinc/02/78/99/770027899.db2.gz DTFJEYAQZVORMY-OWCLPIDISA-N 2 1 336.480 0.150 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001020144235 772212705 /nfs/dbraw/zinc/21/27/05/772212705.db2.gz WFAZQNFWQXJEIR-VQHPVUNQSA-N 2 1 348.491 0.883 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001020250793 772351485 /nfs/dbraw/zinc/35/14/85/772351485.db2.gz RJIPAOOVAVMNBZ-ULQDDVLXSA-N 2 1 344.463 0.229 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001020250793 772351492 /nfs/dbraw/zinc/35/14/92/772351492.db2.gz RJIPAOOVAVMNBZ-ULQDDVLXSA-N 2 1 344.463 0.229 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCCO)[C@H]3C2)CC1 ZINC001042369291 780158096 /nfs/dbraw/zinc/15/80/96/780158096.db2.gz WBIBNMFTVRGMGQ-WMZOPIPTSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001041369241 781370320 /nfs/dbraw/zinc/37/03/20/781370320.db2.gz WOKUYNWSGLDGOY-LPHOPBHVSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041369241 781370326 /nfs/dbraw/zinc/37/03/26/781370326.db2.gz WOKUYNWSGLDGOY-LPHOPBHVSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001041369241 781370332 /nfs/dbraw/zinc/37/03/32/781370332.db2.gz WOKUYNWSGLDGOY-LPHOPBHVSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001041369241 781370335 /nfs/dbraw/zinc/37/03/35/781370335.db2.gz WOKUYNWSGLDGOY-LPHOPBHVSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207968 783659118 /nfs/dbraw/zinc/65/91/18/783659118.db2.gz YDUWTMYPUDVEBD-ZACQAIPSSA-N 2 1 344.463 0.231 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070400162 783968702 /nfs/dbraw/zinc/96/87/02/783968702.db2.gz SJYBQZVXVSNVIB-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400162 783968709 /nfs/dbraw/zinc/96/87/09/783968709.db2.gz SJYBQZVXVSNVIB-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400162 783968713 /nfs/dbraw/zinc/96/87/13/783968713.db2.gz SJYBQZVXVSNVIB-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403254 783976607 /nfs/dbraw/zinc/97/66/07/783976607.db2.gz OLNSTTQWKLNFAC-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403254 783976614 /nfs/dbraw/zinc/97/66/14/783976614.db2.gz OLNSTTQWKLNFAC-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403254 783976618 /nfs/dbraw/zinc/97/66/18/783976618.db2.gz OLNSTTQWKLNFAC-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403254 783976628 /nfs/dbraw/zinc/97/66/28/783976628.db2.gz OLNSTTQWKLNFAC-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432856 784058506 /nfs/dbraw/zinc/05/85/06/784058506.db2.gz SLOXLCCZNIYUGS-AWEZNQCLSA-N 2 1 327.432 0.544 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227335 784785392 /nfs/dbraw/zinc/78/53/92/784785392.db2.gz DFECNMORLSJMCY-LPHOPBHVSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633857 786825339 /nfs/dbraw/zinc/82/53/39/786825339.db2.gz IIECBKKBRXXPBU-MSOLQXFVSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633857 786825349 /nfs/dbraw/zinc/82/53/49/786825349.db2.gz IIECBKKBRXXPBU-MSOLQXFVSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001073633857 786825359 /nfs/dbraw/zinc/82/53/59/786825359.db2.gz IIECBKKBRXXPBU-MSOLQXFVSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633857 786825368 /nfs/dbraw/zinc/82/53/68/786825368.db2.gz IIECBKKBRXXPBU-MSOLQXFVSA-N 2 1 349.475 0.470 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700670 787000094 /nfs/dbraw/zinc/00/00/94/787000094.db2.gz SXJXGIPYAXECHK-VIHIWDAPSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700670 787000103 /nfs/dbraw/zinc/00/01/03/787000103.db2.gz SXJXGIPYAXECHK-VIHIWDAPSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700670 787000109 /nfs/dbraw/zinc/00/01/09/787000109.db2.gz SXJXGIPYAXECHK-VIHIWDAPSA-N 2 1 349.475 0.633 20 30 ECEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746483 788702102 /nfs/dbraw/zinc/70/21/02/788702102.db2.gz PQYUQZZCUUYGSL-MSOLQXFVSA-N 2 1 345.487 0.901 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267565266 837780475 /nfs/dbraw/zinc/78/04/75/837780475.db2.gz ZBMDDZWZBMCOJM-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267565266 837780480 /nfs/dbraw/zinc/78/04/80/837780480.db2.gz ZBMDDZWZBMCOJM-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267565266 837780486 /nfs/dbraw/zinc/78/04/86/837780486.db2.gz ZBMDDZWZBMCOJM-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001266539917 835961046 /nfs/dbraw/zinc/96/10/46/835961046.db2.gz LIJURYVHGSHCCE-HNNXBMFYSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001266539917 835961052 /nfs/dbraw/zinc/96/10/52/835961052.db2.gz LIJURYVHGSHCCE-HNNXBMFYSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266565390 835994919 /nfs/dbraw/zinc/99/49/19/835994919.db2.gz WDXGPNLQOIWCLN-UHFFFAOYSA-N 2 1 334.464 0.192 20 30 ECEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266565390 835994928 /nfs/dbraw/zinc/99/49/28/835994928.db2.gz WDXGPNLQOIWCLN-UHFFFAOYSA-N 2 1 334.464 0.192 20 30 ECEDMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892496 836441955 /nfs/dbraw/zinc/44/19/55/836441955.db2.gz VXZPQSIWRCHOQS-LSDHHAIUSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892496 836441959 /nfs/dbraw/zinc/44/19/59/836441959.db2.gz VXZPQSIWRCHOQS-LSDHHAIUSA-N 2 1 349.479 0.327 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001267106169 836785577 /nfs/dbraw/zinc/78/55/77/836785577.db2.gz RXVGDWUGSCWRJS-QGZVFWFLSA-N 2 1 348.422 0.966 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001267106169 836785582 /nfs/dbraw/zinc/78/55/82/836785582.db2.gz RXVGDWUGSCWRJS-QGZVFWFLSA-N 2 1 348.422 0.966 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271314 837112056 /nfs/dbraw/zinc/11/20/56/837112056.db2.gz SQUSLZOGHHNWNP-CVEARBPZSA-N 2 1 346.475 0.333 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271314 837112064 /nfs/dbraw/zinc/11/20/64/837112064.db2.gz SQUSLZOGHHNWNP-CVEARBPZSA-N 2 1 346.475 0.333 20 30 ECEDMP C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267638781 838115103 /nfs/dbraw/zinc/11/51/03/838115103.db2.gz RULVTZUPPWHHHU-CVEARBPZSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267638781 838115110 /nfs/dbraw/zinc/11/51/10/838115110.db2.gz RULVTZUPPWHHHU-CVEARBPZSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267638781 838115119 /nfs/dbraw/zinc/11/51/19/838115119.db2.gz RULVTZUPPWHHHU-CVEARBPZSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267638781 838115126 /nfs/dbraw/zinc/11/51/26/838115126.db2.gz RULVTZUPPWHHHU-CVEARBPZSA-N 2 1 325.453 0.300 20 30 ECEDMP C=C(Br)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420079848 838115632 /nfs/dbraw/zinc/11/56/32/838115632.db2.gz QNDNNOXIEPMRKL-VXGBXAGGSA-N 2 1 334.258 0.710 20 30 ECEDMP C=C(Br)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420079848 838115638 /nfs/dbraw/zinc/11/56/38/838115638.db2.gz QNDNNOXIEPMRKL-VXGBXAGGSA-N 2 1 334.258 0.710 20 30 ECEDMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC(=O)NCC#N)CC1)[NH+](C)C ZINC001267733561 838425974 /nfs/dbraw/zinc/42/59/74/838425974.db2.gz UODSSPAQBXAQSX-OAHLLOKOSA-N 2 1 337.468 0.137 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2cnn(CC)n2)CC1 ZINC001267832275 838627048 /nfs/dbraw/zinc/62/70/48/838627048.db2.gz ZHUSGZWNJQDQEO-INIZCTEOSA-N 2 1 346.479 0.628 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000491043284 420608777 /nfs/dbraw/zinc/60/87/77/420608777.db2.gz AFEOLPMRBWBCCQ-HNNXBMFYSA-N 2 1 342.447 0.016 20 30 ECEDMP N#Cc1ccc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000373112394 268212375 /nfs/dbraw/zinc/21/23/75/268212375.db2.gz KYXCBGJBUHNUSW-SFHVURJKSA-N 2 1 345.443 0.751 20 30 ECEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000081663893 436352926 /nfs/dbraw/zinc/35/29/26/436352926.db2.gz OHCPMFKVQIWKCT-OAHLLOKOSA-N 2 1 326.466 0.582 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262254654 436919415 /nfs/dbraw/zinc/91/94/15/436919415.db2.gz QLVWEIYDMHBLDT-IAGOWNOFSA-N 2 1 348.491 0.767 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934259 436898615 /nfs/dbraw/zinc/89/86/15/436898615.db2.gz CCOUAROKFGMFEF-HZPDHXFCSA-N 2 1 346.479 0.356 20 30 ECEDMP Cc1cc(C)cc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000282690893 437020539 /nfs/dbraw/zinc/02/05/39/437020539.db2.gz UEUVKIQTAZTKPF-QGZVFWFLSA-N 2 1 334.464 0.963 20 30 ECEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCOCC2)CC1 ZINC000264075530 437015155 /nfs/dbraw/zinc/01/51/55/437015155.db2.gz FNAAKQHAJFSOJB-UHFFFAOYSA-N 2 1 345.491 0.971 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000182736958 437360843 /nfs/dbraw/zinc/36/08/43/437360843.db2.gz MQGHFUNLUWZZDJ-UHFFFAOYSA-N 2 1 337.512 0.916 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733026 437640599 /nfs/dbraw/zinc/64/05/99/437640599.db2.gz AHJJJSPCWKVHDV-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000355141594 437675268 /nfs/dbraw/zinc/67/52/68/437675268.db2.gz VCUBRPJUUGRKPW-HNNXBMFYSA-N 2 1 334.464 0.496 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292371490 437685059 /nfs/dbraw/zinc/68/50/59/437685059.db2.gz YPQXRKNMOBXKNS-INIZCTEOSA-N 2 1 343.431 0.570 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292371490 437685060 /nfs/dbraw/zinc/68/50/60/437685060.db2.gz YPQXRKNMOBXKNS-INIZCTEOSA-N 2 1 343.431 0.570 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000341091625 437790257 /nfs/dbraw/zinc/79/02/57/437790257.db2.gz OZRPYMDZQHQOBG-INIZCTEOSA-N 2 1 337.512 0.820 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342103624 437968075 /nfs/dbraw/zinc/96/80/75/437968075.db2.gz IHGUBLTXYDEXEB-CQSZACIVSA-N 2 1 336.480 0.742 20 30 ECEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000371638233 437969659 /nfs/dbraw/zinc/96/96/59/437969659.db2.gz PMBQBZXGYIMWFY-HNNXBMFYSA-N 2 1 349.479 0.233 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000491652181 439418819 /nfs/dbraw/zinc/41/88/19/439418819.db2.gz AIMAFOQBEMRIQE-QGZVFWFLSA-N 2 1 335.496 0.363 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491660208 439422550 /nfs/dbraw/zinc/42/25/50/439422550.db2.gz NXCACXZCCAAVLT-MRXNPFEDSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000491706614 439430325 /nfs/dbraw/zinc/43/03/25/439430325.db2.gz NMPLAKKRQQEXRZ-HNNXBMFYSA-N 2 1 332.452 0.753 20 30 ECEDMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732607 439862720 /nfs/dbraw/zinc/86/27/20/439862720.db2.gz FOHYFIOLDXHIMD-AEFFLSMTSA-N 2 1 336.480 0.207 20 30 ECEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000564452280 322375627 /nfs/dbraw/zinc/37/56/27/322375627.db2.gz DMNWWTNGVYMUNP-IAGOWNOFSA-N 2 1 333.432 0.734 20 30 ECEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006325 782120527 /nfs/dbraw/zinc/12/05/27/782120527.db2.gz ZMXKHBNNRUZAIV-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006325 782120535 /nfs/dbraw/zinc/12/05/35/782120535.db2.gz ZMXKHBNNRUZAIV-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006325 782120542 /nfs/dbraw/zinc/12/05/42/782120542.db2.gz ZMXKHBNNRUZAIV-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078006325 782120547 /nfs/dbraw/zinc/12/05/47/782120547.db2.gz ZMXKHBNNRUZAIV-RCCFBDPRSA-N 2 1 342.443 0.561 20 30 ECEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000741456054 579774722 /nfs/dbraw/zinc/77/47/22/579774722.db2.gz OKYOAHIMGRBJGM-CYBMUJFWSA-N 2 1 327.498 0.643 20 30 ECEDMP C[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000741456054 579774723 /nfs/dbraw/zinc/77/47/23/579774723.db2.gz OKYOAHIMGRBJGM-CYBMUJFWSA-N 2 1 327.498 0.643 20 30 ECEDMP C[NH+]=C(NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NCCN1CCOCC1 ZINC000104168642 586221729 /nfs/dbraw/zinc/22/17/29/586221729.db2.gz GDFGDEQIPLXELN-CALCHBBNSA-N 2 1 339.528 0.852 20 30 ECEDMP CC(=NNC(=S)NCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000814728320 587279032 /nfs/dbraw/zinc/27/90/32/587279032.db2.gz SMWQLYQRTCVHEZ-UHFFFAOYSA-N 2 1 341.525 0.891 20 30 ECEDMP CN(C)C(NCc1ccccc1)=[NH+]CCC(=O)N1CC[NH+](C)CC1 ZINC000849058657 589319064 /nfs/dbraw/zinc/31/90/64/589319064.db2.gz JWLDWYGTQYRKMQ-UHFFFAOYSA-N 2 1 331.464 0.858 20 30 ECEDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000878641031 590532660 /nfs/dbraw/zinc/53/26/60/590532660.db2.gz OAEYOUWJXHOSEW-MRXNPFEDSA-N 2 1 343.431 0.617 20 30 ECEDMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000878641031 590532661 /nfs/dbraw/zinc/53/26/61/590532661.db2.gz OAEYOUWJXHOSEW-MRXNPFEDSA-N 2 1 343.431 0.617 20 30 ECEDMP C[C@@H]1C[N@H+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884183692 590765761 /nfs/dbraw/zinc/76/57/61/590765761.db2.gz UDUWZRFGZRKJLK-MYCCOQIQSA-N 2 1 334.464 0.741 20 30 ECEDMP C[NH+](C)CCN1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884199849 590771289 /nfs/dbraw/zinc/77/12/89/590771289.db2.gz LZUPENRXHJUJTQ-HFCFLWKCSA-N 2 1 347.507 0.516 20 30 ECEDMP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884312614 590803066 /nfs/dbraw/zinc/80/30/66/590803066.db2.gz JZVZVLYFQXERMN-MYCCOQIQSA-N 2 1 334.464 0.693 20 30 ECEDMP C[C@@H]1C[N@H+](CCN(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884312614 590803072 /nfs/dbraw/zinc/80/30/72/590803072.db2.gz JZVZVLYFQXERMN-MYCCOQIQSA-N 2 1 334.464 0.693 20 30 ECEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073777333 611367324 /nfs/dbraw/zinc/36/73/24/611367324.db2.gz GFYWAUFFHKHUEM-HNNXBMFYSA-N 2 1 339.484 0.225 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925173801 611459031 /nfs/dbraw/zinc/45/90/31/611459031.db2.gz ZIHNKJCZFGBZQM-HOTGVXAUSA-N 2 1 336.505 0.963 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000947522423 608855938 /nfs/dbraw/zinc/85/59/38/608855938.db2.gz NAGZCCPKNQBBBE-IRXDYDNUSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000947522423 608855941 /nfs/dbraw/zinc/85/59/41/608855941.db2.gz NAGZCCPKNQBBBE-IRXDYDNUSA-N 2 1 348.491 0.531 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O ZINC000170909022 609754196 /nfs/dbraw/zinc/75/41/96/609754196.db2.gz HTNCDWBRGIJQRF-ZDUSSCGKSA-N 2 1 343.431 0.671 20 30 ECEDMP C#CCN(C(=O)NCCCCN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000919509036 610046656 /nfs/dbraw/zinc/04/66/56/610046656.db2.gz KLYUTWYYTCRWTC-UHFFFAOYSA-N 2 1 349.523 0.753 20 30 ECEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551689 611259900 /nfs/dbraw/zinc/25/99/00/611259900.db2.gz CUPJOAQXIWKSJC-KSZLIROESA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551689 611259902 /nfs/dbraw/zinc/25/99/02/611259902.db2.gz CUPJOAQXIWKSJC-KSZLIROESA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551689 611259904 /nfs/dbraw/zinc/25/99/04/611259904.db2.gz CUPJOAQXIWKSJC-KSZLIROESA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551689 611259906 /nfs/dbraw/zinc/25/99/06/611259906.db2.gz CUPJOAQXIWKSJC-KSZLIROESA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551689 611259908 /nfs/dbraw/zinc/25/99/08/611259908.db2.gz CUPJOAQXIWKSJC-KSZLIROESA-N 2 1 343.475 0.669 20 30 ECEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471305 611991524 /nfs/dbraw/zinc/99/15/24/611991524.db2.gz XCKZFXRECOYCMU-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471305 611991525 /nfs/dbraw/zinc/99/15/25/611991525.db2.gz XCKZFXRECOYCMU-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954630748 612468282 /nfs/dbraw/zinc/46/82/82/612468282.db2.gz IJCLFCAWFOUJLO-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000954630748 612468286 /nfs/dbraw/zinc/46/82/86/612468286.db2.gz IJCLFCAWFOUJLO-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954630748 612468289 /nfs/dbraw/zinc/46/82/89/612468289.db2.gz IJCLFCAWFOUJLO-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000954630748 612468293 /nfs/dbraw/zinc/46/82/93/612468293.db2.gz IJCLFCAWFOUJLO-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000954630748 612468297 /nfs/dbraw/zinc/46/82/97/612468297.db2.gz IJCLFCAWFOUJLO-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC(=O)NC)C3)C2)CC1 ZINC001041844773 782326373 /nfs/dbraw/zinc/32/63/73/782326373.db2.gz MUMPKSZWAOFLQN-LJQANCHMSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000970924932 734092543 /nfs/dbraw/zinc/09/25/43/734092543.db2.gz NVOVMOZLDJKIEC-WMLDXEAASA-N 2 1 346.475 0.047 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000971688267 734949446 /nfs/dbraw/zinc/94/94/46/734949446.db2.gz VKNINEAARIZIEP-IAGOWNOFSA-N 2 1 348.491 0.790 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2O)CC1 ZINC001078228101 782525326 /nfs/dbraw/zinc/52/53/26/782525326.db2.gz CTFCUKBBJKCKSJ-RTBURBONSA-N 2 1 341.455 0.693 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996054 790291866 /nfs/dbraw/zinc/29/18/66/790291866.db2.gz NJJFHMWVWKVKHE-CVEARBPZSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996054 790291871 /nfs/dbraw/zinc/29/18/71/790291871.db2.gz NJJFHMWVWKVKHE-CVEARBPZSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000974266033 741198760 /nfs/dbraw/zinc/19/87/60/741198760.db2.gz VLHYXTZSPJYKAV-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974266033 741198762 /nfs/dbraw/zinc/19/87/62/741198762.db2.gz VLHYXTZSPJYKAV-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000974266033 741198764 /nfs/dbraw/zinc/19/87/64/741198764.db2.gz VLHYXTZSPJYKAV-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000974266033 741198768 /nfs/dbraw/zinc/19/87/68/741198768.db2.gz VLHYXTZSPJYKAV-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000974266033 741198772 /nfs/dbraw/zinc/19/87/72/741198772.db2.gz VLHYXTZSPJYKAV-NXOAAHMSSA-N 2 1 346.475 0.189 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105202497 741465580 /nfs/dbraw/zinc/46/55/80/741465580.db2.gz LIEGZEVFOKIGLF-INIZCTEOSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105202497 741465583 /nfs/dbraw/zinc/46/55/83/741465583.db2.gz LIEGZEVFOKIGLF-INIZCTEOSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)nn1 ZINC001105253914 741566912 /nfs/dbraw/zinc/56/69/12/741566912.db2.gz KGCYBLUDSILBRR-HNNXBMFYSA-N 2 1 338.431 0.617 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+]([C@H](C)C(N)=O)C3)CC1 ZINC000982162075 751652352 /nfs/dbraw/zinc/65/23/52/751652352.db2.gz HFLRGRRTMHFTDV-OAHLLOKOSA-N 2 1 346.475 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+]([C@H](C)C(N)=O)C3)CC1 ZINC000982162075 751652355 /nfs/dbraw/zinc/65/23/55/751652355.db2.gz HFLRGRRTMHFTDV-OAHLLOKOSA-N 2 1 346.475 0.130 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327021 741807841 /nfs/dbraw/zinc/80/78/41/741807841.db2.gz OVKRYVBRHMGZKT-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327021 741807843 /nfs/dbraw/zinc/80/78/43/741807843.db2.gz OVKRYVBRHMGZKT-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001026892920 742036242 /nfs/dbraw/zinc/03/62/42/742036242.db2.gz DWZXFCIQNGSDMT-KBPBESRZSA-N 2 1 333.461 0.574 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001026893946 742039751 /nfs/dbraw/zinc/03/97/51/742039751.db2.gz ROCMRSRNGUQDOW-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001026894204 742040604 /nfs/dbraw/zinc/04/06/04/742040604.db2.gz XMOWCGMFZXZUTM-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001026894204 742040610 /nfs/dbraw/zinc/04/06/10/742040610.db2.gz XMOWCGMFZXZUTM-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996787999 742865272 /nfs/dbraw/zinc/86/52/72/742865272.db2.gz HQMMTIZVCOKZHB-WWDZGPRUSA-N 2 1 347.507 0.897 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001029003356 743155168 /nfs/dbraw/zinc/15/51/68/743155168.db2.gz LUBNDVNKBVOMET-HOCLYGCPSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997832272 743842581 /nfs/dbraw/zinc/84/25/81/743842581.db2.gz PTOGMSDLKZADEC-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997832272 743842586 /nfs/dbraw/zinc/84/25/86/743842586.db2.gz PTOGMSDLKZADEC-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC001027446232 744483163 /nfs/dbraw/zinc/48/31/63/744483163.db2.gz CBQXMFLFMFRHKE-ROUUACIJSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001000991990 745957335 /nfs/dbraw/zinc/95/73/35/745957335.db2.gz LCKIBHMBTZDQJA-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985120199 747404859 /nfs/dbraw/zinc/40/48/59/747404859.db2.gz PNJXSAGCADWIEE-VGWMRTNUSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCN2CCCC2=O)CC1 ZINC001003056762 748125307 /nfs/dbraw/zinc/12/53/07/748125307.db2.gz SCPLFRDGPGRWBO-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350310 748871966 /nfs/dbraw/zinc/87/19/66/748871966.db2.gz UJJFGNNXEDUVGL-ISXWCOSWSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccnn1C ZINC001027943916 749676484 /nfs/dbraw/zinc/67/64/84/749676484.db2.gz PDEYIVAOHQGHCU-ROUUACIJSA-N 2 1 343.475 0.641 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100899938 750000864 /nfs/dbraw/zinc/00/08/64/750000864.db2.gz IOBWUDYSMHCHPD-FHERZECASA-N 2 1 338.496 0.893 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCn2cncn2)CC1 ZINC001028332991 752401310 /nfs/dbraw/zinc/40/13/10/752401310.db2.gz ANTKFSOMNGTTEE-QGZVFWFLSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001021092690 752534035 /nfs/dbraw/zinc/53/40/35/752534035.db2.gz QBOZVNOQHISCTO-WKILWMFISA-N 2 1 327.432 0.559 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345596 754766196 /nfs/dbraw/zinc/76/61/96/754766196.db2.gz RMNGHBVQSCMOBX-HNNXBMFYSA-N 2 1 336.480 0.341 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860738 757207184 /nfs/dbraw/zinc/20/71/84/757207184.db2.gz CFPCDVCKHJVNAV-IXDOHACOSA-N 2 1 331.464 0.780 20 30 ECEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860738 757207191 /nfs/dbraw/zinc/20/71/91/757207191.db2.gz CFPCDVCKHJVNAV-IXDOHACOSA-N 2 1 331.464 0.780 20 30 ECEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862508 757214155 /nfs/dbraw/zinc/21/41/55/757214155.db2.gz WVUXWUPSXFJINA-BBWFWOEESA-N 2 1 329.448 0.227 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862508 757214164 /nfs/dbraw/zinc/21/41/64/757214164.db2.gz WVUXWUPSXFJINA-BBWFWOEESA-N 2 1 329.448 0.227 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209497 757686461 /nfs/dbraw/zinc/68/64/61/757686461.db2.gz RIJJWYTUMUXCMN-AWEZNQCLSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209497 757686465 /nfs/dbraw/zinc/68/64/65/757686465.db2.gz RIJJWYTUMUXCMN-AWEZNQCLSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)nn2)C1 ZINC001107210852 757697067 /nfs/dbraw/zinc/69/70/67/757697067.db2.gz GJXODYFSEMGRSW-PBHICJAKSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1=O ZINC001049217043 758350827 /nfs/dbraw/zinc/35/08/27/758350827.db2.gz JPTGSSIVLOVREP-IXDOHACOSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001022293257 758530675 /nfs/dbraw/zinc/53/06/75/758530675.db2.gz SRCOCCSXCJVHSH-FZKCQIBNSA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000996726693 758641858 /nfs/dbraw/zinc/64/18/58/758641858.db2.gz ZDRBIRARDVMVQJ-DLBZAZTESA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369328 759081370 /nfs/dbraw/zinc/08/13/70/759081370.db2.gz PFEPPQCRMUFDKQ-CQSZACIVSA-N 2 1 335.452 0.758 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC(=O)NC)CC1 ZINC001049916866 759399856 /nfs/dbraw/zinc/39/98/56/759399856.db2.gz FWVWCOYCOAKXPU-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)CC1 ZINC001049916866 759399865 /nfs/dbraw/zinc/39/98/65/759399865.db2.gz FWVWCOYCOAKXPU-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070887 763769552 /nfs/dbraw/zinc/76/95/52/763769552.db2.gz OJEYOIZGZQHRNP-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070887 763769562 /nfs/dbraw/zinc/76/95/62/763769562.db2.gz OJEYOIZGZQHRNP-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047545314 764651409 /nfs/dbraw/zinc/65/14/09/764651409.db2.gz PVZLTFYXIBTFOW-IRXDYDNUSA-N 2 1 339.399 0.528 20 30 ECEDMP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047545314 764651412 /nfs/dbraw/zinc/65/14/12/764651412.db2.gz PVZLTFYXIBTFOW-IRXDYDNUSA-N 2 1 339.399 0.528 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001052938493 765386942 /nfs/dbraw/zinc/38/69/42/765386942.db2.gz YRANJIWYHAEGBS-DLBZAZTESA-N 2 1 348.491 0.840 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026033 766681243 /nfs/dbraw/zinc/68/12/43/766681243.db2.gz BEIZHJIZTRTWTQ-RBUKOAKNSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035029 766718429 /nfs/dbraw/zinc/71/84/29/766718429.db2.gz BJKRUGZIVHCCFY-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035029 766718439 /nfs/dbraw/zinc/71/84/39/766718439.db2.gz BJKRUGZIVHCCFY-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035029 766718452 /nfs/dbraw/zinc/71/84/52/766718452.db2.gz BJKRUGZIVHCCFY-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035215 766719642 /nfs/dbraw/zinc/71/96/42/766719642.db2.gz HHFUQWTTWRXYMB-IAGOWNOFSA-N 2 1 341.459 0.612 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035215 766719648 /nfs/dbraw/zinc/71/96/48/766719648.db2.gz HHFUQWTTWRXYMB-IAGOWNOFSA-N 2 1 341.459 0.612 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001046037357 766733455 /nfs/dbraw/zinc/73/34/55/766733455.db2.gz XOFVKSMKQREMJA-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001046037357 766733460 /nfs/dbraw/zinc/73/34/60/766733460.db2.gz XOFVKSMKQREMJA-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001046037357 766733462 /nfs/dbraw/zinc/73/34/62/766733462.db2.gz XOFVKSMKQREMJA-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001046037357 766733465 /nfs/dbraw/zinc/73/34/65/766733465.db2.gz XOFVKSMKQREMJA-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039275 766742448 /nfs/dbraw/zinc/74/24/48/766742448.db2.gz OVDAAJLKULVXIL-SFHVURJKSA-N 2 1 344.503 0.714 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046042238 766755122 /nfs/dbraw/zinc/75/51/22/766755122.db2.gz XTRFRMSZOVRRFE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046042238 766755126 /nfs/dbraw/zinc/75/51/26/766755126.db2.gz XTRFRMSZOVRRFE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046042238 766755131 /nfs/dbraw/zinc/75/51/31/766755131.db2.gz XTRFRMSZOVRRFE-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741502 766829003 /nfs/dbraw/zinc/82/90/03/766829003.db2.gz YEPURBYMIDPPOF-MUZJZNNISA-N 2 1 343.471 0.844 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001031740579 766984623 /nfs/dbraw/zinc/98/46/23/766984623.db2.gz FMGRBOSUBQSMHG-WBVHZDCISA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001031740579 766984627 /nfs/dbraw/zinc/98/46/27/766984627.db2.gz FMGRBOSUBQSMHG-WBVHZDCISA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168690 767765284 /nfs/dbraw/zinc/76/52/84/767765284.db2.gz GZZZUWDATWUMDQ-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168690 767765289 /nfs/dbraw/zinc/76/52/89/767765289.db2.gz GZZZUWDATWUMDQ-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168690 767765295 /nfs/dbraw/zinc/76/52/95/767765295.db2.gz GZZZUWDATWUMDQ-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055539486 769056904 /nfs/dbraw/zinc/05/69/04/769056904.db2.gz YMLPBFCEXOGZNF-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055572294 769148329 /nfs/dbraw/zinc/14/83/29/769148329.db2.gz BXVHCIFCMNJOHK-KRWDZBQOSA-N 2 1 348.491 0.437 20 30 ECEDMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1)[NH+](C)C ZINC001055602000 769232836 /nfs/dbraw/zinc/23/28/36/769232836.db2.gz KXNIHZCXBMKDDU-HIFRSBDPSA-N 2 1 337.468 0.183 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055645222 769336488 /nfs/dbraw/zinc/33/64/88/769336488.db2.gz ONLIZEBJDUCDJS-HUUCEWRRSA-N 2 1 349.479 0.327 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001018663757 769733922 /nfs/dbraw/zinc/73/39/22/769733922.db2.gz ODQXYNSTMLWATC-RDJZCZTQSA-N 2 1 346.406 0.718 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001018663757 769733928 /nfs/dbraw/zinc/73/39/28/769733928.db2.gz ODQXYNSTMLWATC-RDJZCZTQSA-N 2 1 346.406 0.718 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001018985829 770483114 /nfs/dbraw/zinc/48/31/14/770483114.db2.gz HUPOPOJAICBZGZ-ZOBUZTSGSA-N 2 1 327.432 0.826 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001018985829 770483117 /nfs/dbraw/zinc/48/31/17/770483117.db2.gz HUPOPOJAICBZGZ-ZOBUZTSGSA-N 2 1 327.432 0.826 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001018985828 770484242 /nfs/dbraw/zinc/48/42/42/770484242.db2.gz HUPOPOJAICBZGZ-VYDXJSESSA-N 2 1 327.432 0.826 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001018985828 770484250 /nfs/dbraw/zinc/48/42/50/770484250.db2.gz HUPOPOJAICBZGZ-VYDXJSESSA-N 2 1 327.432 0.826 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2C)C1=O ZINC001045310942 775382625 /nfs/dbraw/zinc/38/26/25/775382625.db2.gz XUCSLTYQGYYWTH-HOTGVXAUSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046744 790441690 /nfs/dbraw/zinc/44/16/90/790441690.db2.gz MEFRWBCTKAOFNI-SJORKVTESA-N 2 1 346.479 0.928 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001040712320 783313661 /nfs/dbraw/zinc/31/36/61/783313661.db2.gz IDXKNEFPCBZFSP-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332572 783840075 /nfs/dbraw/zinc/84/00/75/783840075.db2.gz LIVBLTUHAYQUKG-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070946007 784189835 /nfs/dbraw/zinc/18/98/35/784189835.db2.gz LVKVEINTGXWGSZ-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070946007 784189840 /nfs/dbraw/zinc/18/98/40/784189840.db2.gz LVKVEINTGXWGSZ-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946007 784189844 /nfs/dbraw/zinc/18/98/44/784189844.db2.gz LVKVEINTGXWGSZ-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946007 784189847 /nfs/dbraw/zinc/18/98/47/784189847.db2.gz LVKVEINTGXWGSZ-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070659744 784512952 /nfs/dbraw/zinc/51/29/52/784512952.db2.gz ZZWFBCVZNROYND-KCYZZUKISA-N 2 1 347.463 0.209 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070659744 784512958 /nfs/dbraw/zinc/51/29/58/784512958.db2.gz ZZWFBCVZNROYND-KCYZZUKISA-N 2 1 347.463 0.209 20 30 ECEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071219837 784767019 /nfs/dbraw/zinc/76/70/19/784767019.db2.gz YVEOKMQDJDEPJQ-FUHWJXTLSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071219837 784767021 /nfs/dbraw/zinc/76/70/21/784767021.db2.gz YVEOKMQDJDEPJQ-FUHWJXTLSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@H](C)O2 ZINC001071244282 784821612 /nfs/dbraw/zinc/82/16/12/784821612.db2.gz SKSKRVRXMJBJAQ-FXAWDEMLSA-N 2 1 343.471 0.657 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073895760 787463015 /nfs/dbraw/zinc/46/30/15/787463015.db2.gz AYDOVGIUBALODT-DLBZAZTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073895760 787463022 /nfs/dbraw/zinc/46/30/22/787463022.db2.gz AYDOVGIUBALODT-DLBZAZTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073895760 787463040 /nfs/dbraw/zinc/46/30/40/787463040.db2.gz AYDOVGIUBALODT-DLBZAZTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073895760 787463047 /nfs/dbraw/zinc/46/30/47/787463047.db2.gz AYDOVGIUBALODT-DLBZAZTESA-N 2 1 339.480 0.880 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001073899560 787475497 /nfs/dbraw/zinc/47/54/97/787475497.db2.gz XCEGVENXUVOVBF-GOSISDBHSA-N 2 1 331.460 0.562 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@@H](CC)C(N)=O)C3)CC1 ZINC001073457437 789864896 /nfs/dbraw/zinc/86/48/96/789864896.db2.gz QFMPLJKCMFDZIM-INIZCTEOSA-N 2 1 346.475 0.130 20 30 ECEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557599 837765831 /nfs/dbraw/zinc/76/58/31/837765831.db2.gz IXEZDMZWZLMLMZ-JKSUJKDBSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557599 837765840 /nfs/dbraw/zinc/76/58/40/837765840.db2.gz IXEZDMZWZLMLMZ-JKSUJKDBSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557599 837765844 /nfs/dbraw/zinc/76/58/44/837765844.db2.gz IXEZDMZWZLMLMZ-JKSUJKDBSA-N 2 1 349.479 0.329 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471100 835873397 /nfs/dbraw/zinc/87/33/97/835873397.db2.gz IGIBQEVLIJZOJW-JKSUJKDBSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471100 835873404 /nfs/dbraw/zinc/87/34/04/835873404.db2.gz IGIBQEVLIJZOJW-JKSUJKDBSA-N 2 1 348.491 0.886 20 30 ECEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266750350 836240326 /nfs/dbraw/zinc/24/03/26/836240326.db2.gz VGOYNHILMWWBDD-FUHWJXTLSA-N 2 1 333.476 0.806 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767420 836273683 /nfs/dbraw/zinc/27/36/83/836273683.db2.gz NAJBUIGBWSVLPH-JKSUJKDBSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767420 836273691 /nfs/dbraw/zinc/27/36/91/836273691.db2.gz NAJBUIGBWSVLPH-JKSUJKDBSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767420 836273703 /nfs/dbraw/zinc/27/37/03/836273703.db2.gz NAJBUIGBWSVLPH-JKSUJKDBSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001266949160 836510585 /nfs/dbraw/zinc/51/05/85/836510585.db2.gz HHSGHYNOZNEMBU-IRXDYDNUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001266949160 836510592 /nfs/dbraw/zinc/51/05/92/836510592.db2.gz HHSGHYNOZNEMBU-IRXDYDNUSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267071963 836716895 /nfs/dbraw/zinc/71/68/95/836716895.db2.gz ZTMZUZMQAAIOTB-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(OC)ccn1 ZINC001267386303 837322643 /nfs/dbraw/zinc/32/26/43/837322643.db2.gz CDBMEZRDDVLCMM-KRWDZBQOSA-N 2 1 330.432 0.736 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(OC)ccn1 ZINC001267386303 837322648 /nfs/dbraw/zinc/32/26/48/837322648.db2.gz CDBMEZRDDVLCMM-KRWDZBQOSA-N 2 1 330.432 0.736 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267700391 838297086 /nfs/dbraw/zinc/29/70/86/838297086.db2.gz BOHHIQPUJWSRRS-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025762 839024825 /nfs/dbraw/zinc/02/48/25/839024825.db2.gz KOOATGZVPHRPHJ-IAGOWNOFSA-N 2 1 339.480 0.880 20 30 ECEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025762 839024841 /nfs/dbraw/zinc/02/48/41/839024841.db2.gz KOOATGZVPHRPHJ-IAGOWNOFSA-N 2 1 339.480 0.880 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000293527799 436884400 /nfs/dbraw/zinc/88/44/00/436884400.db2.gz ZPGUCHUDKXNTCK-UHFFFAOYSA-N 2 1 344.459 0.801 20 30 ECEDMP CNC(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)=[NH+]C ZINC000161523462 436892762 /nfs/dbraw/zinc/89/27/62/436892762.db2.gz VZRDSKGRXCSDDA-UHFFFAOYSA-N 2 1 333.436 0.642 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(-c2nc[nH]n2)c1 ZINC000304757699 437161141 /nfs/dbraw/zinc/16/11/41/437161141.db2.gz PDJVJTHITNZQPX-UHFFFAOYSA-N 2 1 343.435 0.598 20 30 ECEDMP C=CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267411994 437327744 /nfs/dbraw/zinc/32/77/44/437327744.db2.gz INKKRSRGNOHADU-INIZCTEOSA-N 2 1 329.448 0.974 20 30 ECEDMP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000330427849 437509308 /nfs/dbraw/zinc/50/93/08/437509308.db2.gz UCVQLJZHGPYHEV-AWEZNQCLSA-N 2 1 339.484 0.432 20 30 ECEDMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000330427849 437509313 /nfs/dbraw/zinc/50/93/13/437509313.db2.gz UCVQLJZHGPYHEV-AWEZNQCLSA-N 2 1 339.484 0.432 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340513247 437679094 /nfs/dbraw/zinc/67/90/94/437679094.db2.gz XJUZBHPUQYDTLP-HNNXBMFYSA-N 2 1 348.491 0.744 20 30 ECEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331099399 437687281 /nfs/dbraw/zinc/68/72/81/437687281.db2.gz CFFBUXLMMDNBGN-HUUCEWRRSA-N 2 1 339.484 0.479 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000490818729 439301016 /nfs/dbraw/zinc/30/10/16/439301016.db2.gz AAYCGMKXCQUCNJ-UHFFFAOYSA-N 2 1 329.444 0.648 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000491263491 439359351 /nfs/dbraw/zinc/35/93/51/439359351.db2.gz AGFZLQKMRSDVDA-UHFFFAOYSA-N 2 1 337.512 0.657 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000491263491 439359356 /nfs/dbraw/zinc/35/93/56/439359356.db2.gz AGFZLQKMRSDVDA-UHFFFAOYSA-N 2 1 337.512 0.657 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000491263491 439359361 /nfs/dbraw/zinc/35/93/61/439359361.db2.gz AGFZLQKMRSDVDA-UHFFFAOYSA-N 2 1 337.512 0.657 20 30 ECEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000491383873 439373403 /nfs/dbraw/zinc/37/34/03/439373403.db2.gz MTUKOPKLMQGKHE-INIZCTEOSA-N 2 1 344.415 0.409 20 30 ECEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000491383873 439373407 /nfs/dbraw/zinc/37/34/07/439373407.db2.gz MTUKOPKLMQGKHE-INIZCTEOSA-N 2 1 344.415 0.409 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000491565881 439408653 /nfs/dbraw/zinc/40/86/53/439408653.db2.gz CWCAUEPGEKYQBN-ROUUACIJSA-N 2 1 329.444 0.599 20 30 ECEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000491565881 439408657 /nfs/dbraw/zinc/40/86/57/439408657.db2.gz CWCAUEPGEKYQBN-ROUUACIJSA-N 2 1 329.444 0.599 20 30 ECEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000600739931 439696974 /nfs/dbraw/zinc/69/69/74/439696974.db2.gz VPDGLVLCTLTGET-KRWDZBQOSA-N 2 1 333.432 0.734 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1(C)C ZINC000600736055 439697557 /nfs/dbraw/zinc/69/75/57/439697557.db2.gz PRSPEWQYSMFARP-QGZVFWFLSA-N 2 1 346.475 0.914 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310218 548307547 /nfs/dbraw/zinc/30/75/47/548307547.db2.gz KLPCQSDRKNYNAI-INIZCTEOSA-N 2 1 334.464 0.354 20 30 ECEDMP CCCNC(=O)C[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852859056 589518770 /nfs/dbraw/zinc/51/87/70/589518770.db2.gz NBXOAQZOTLIORK-UHFFFAOYSA-N 2 1 334.464 0.096 20 30 ECEDMP COCC(C)(C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884369929 590814599 /nfs/dbraw/zinc/81/45/99/590814599.db2.gz UDFZYHQPHUUPAG-CSLYMUCUSA-N 2 1 334.464 0.695 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949248371 608596610 /nfs/dbraw/zinc/59/66/10/608596610.db2.gz VCAZPAQRYGGODO-MRXNPFEDSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949248371 608596613 /nfs/dbraw/zinc/59/66/13/608596613.db2.gz VCAZPAQRYGGODO-MRXNPFEDSA-N 2 1 335.448 0.034 20 30 ECEDMP CCOC(=O)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640907 611647055 /nfs/dbraw/zinc/64/70/55/611647055.db2.gz DIHKGIPZNLKFRX-HOTGVXAUSA-N 2 1 336.432 0.760 20 30 ECEDMP CCOC(=O)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640907 611647056 /nfs/dbraw/zinc/64/70/56/611647056.db2.gz DIHKGIPZNLKFRX-HOTGVXAUSA-N 2 1 336.432 0.760 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000947228774 608780262 /nfs/dbraw/zinc/78/02/62/608780262.db2.gz YNTKSDZEQFULDT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000947228774 608780264 /nfs/dbraw/zinc/78/02/64/608780264.db2.gz YNTKSDZEQFULDT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000947228774 608780266 /nfs/dbraw/zinc/78/02/66/608780266.db2.gz YNTKSDZEQFULDT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000947228774 608780269 /nfs/dbraw/zinc/78/02/69/608780269.db2.gz YNTKSDZEQFULDT-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP CC(C)[N@H+]1CC[C@H](C(=O)NCC#CC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523717 609684102 /nfs/dbraw/zinc/68/41/02/609684102.db2.gz JRMRICWJSJMGPB-ROUUACIJSA-N 2 1 345.491 0.915 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941414351 610303340 /nfs/dbraw/zinc/30/33/40/610303340.db2.gz REZBUFLKFVGTFM-WMZOPIPTSA-N 2 1 348.491 0.254 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC(=C)C)C3)CC2)CC1 ZINC000941676592 610449523 /nfs/dbraw/zinc/44/95/23/610449523.db2.gz ADIPIXAFMLWZIA-UHFFFAOYSA-N 2 1 344.503 0.736 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000941246035 610617156 /nfs/dbraw/zinc/61/71/56/610617156.db2.gz ZTKLFWGPCLGATR-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000941246035 610617158 /nfs/dbraw/zinc/61/71/58/610617158.db2.gz ZTKLFWGPCLGATR-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000941246035 610617161 /nfs/dbraw/zinc/61/71/61/610617161.db2.gz ZTKLFWGPCLGATR-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000941246035 610617164 /nfs/dbraw/zinc/61/71/64/610617164.db2.gz ZTKLFWGPCLGATR-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000949496011 612006593 /nfs/dbraw/zinc/00/65/93/612006593.db2.gz MHHHFDQCPGNAEN-UHFFFAOYSA-N 2 1 349.475 0.425 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496011 612006597 /nfs/dbraw/zinc/00/65/97/612006597.db2.gz MHHHFDQCPGNAEN-UHFFFAOYSA-N 2 1 349.475 0.425 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000956230094 612791508 /nfs/dbraw/zinc/79/15/08/612791508.db2.gz LKWMFUCILNQNKA-ULQDDVLXSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000956230094 612791510 /nfs/dbraw/zinc/79/15/10/612791510.db2.gz LKWMFUCILNQNKA-ULQDDVLXSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC(=O)N2CCCC2)C1 ZINC000969866667 732465206 /nfs/dbraw/zinc/46/52/06/732465206.db2.gz YWXPEANUDGYQIH-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CC(=O)N2CCCC2)C1 ZINC000969866667 732465209 /nfs/dbraw/zinc/46/52/09/732465209.db2.gz YWXPEANUDGYQIH-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104354257 734612099 /nfs/dbraw/zinc/61/20/99/734612099.db2.gz XYNXSVGULJERFC-BZUAXINKSA-N 2 1 349.479 0.185 20 30 ECEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475518 736292437 /nfs/dbraw/zinc/29/24/37/736292437.db2.gz NXHPEKRPWBGDMN-KXWSQRDISA-N 2 1 347.459 0.339 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN(CC(=O)N(C)C)C1 ZINC001023424123 736806628 /nfs/dbraw/zinc/80/66/28/736806628.db2.gz OLFFTBVGEYZWOB-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500035 736924765 /nfs/dbraw/zinc/92/47/65/736924765.db2.gz OSPPWTZFWDNPAX-XNGIKWSVSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500035 736924767 /nfs/dbraw/zinc/92/47/67/736924767.db2.gz OSPPWTZFWDNPAX-XNGIKWSVSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500035 736924770 /nfs/dbraw/zinc/92/47/70/736924770.db2.gz OSPPWTZFWDNPAX-XNGIKWSVSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001067464040 737321940 /nfs/dbraw/zinc/32/19/40/737321940.db2.gz WQCWEBZPUHFUSA-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001067464040 737321942 /nfs/dbraw/zinc/32/19/42/737321942.db2.gz WQCWEBZPUHFUSA-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067464040 737321943 /nfs/dbraw/zinc/32/19/43/737321943.db2.gz WQCWEBZPUHFUSA-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067464040 737321946 /nfs/dbraw/zinc/32/19/46/737321946.db2.gz WQCWEBZPUHFUSA-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCO)[C@@H]3C2(C)C)CC1 ZINC001087318027 738289520 /nfs/dbraw/zinc/28/95/20/738289520.db2.gz PYAYNFGOYHFUJC-KURKYZTESA-N 2 1 347.503 0.929 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425396 739482473 /nfs/dbraw/zinc/48/24/73/739482473.db2.gz PJKNJTRXUYDLHQ-HZPDHXFCSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001025814035 739996446 /nfs/dbraw/zinc/99/64/46/739996446.db2.gz FYDKWLZUJIFVJI-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001025814035 739996448 /nfs/dbraw/zinc/99/64/48/739996448.db2.gz FYDKWLZUJIFVJI-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001025814035 739996450 /nfs/dbraw/zinc/99/64/50/739996450.db2.gz FYDKWLZUJIFVJI-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCCOC3)C[C@H]21 ZINC001025814035 739996452 /nfs/dbraw/zinc/99/64/52/739996452.db2.gz FYDKWLZUJIFVJI-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCCOC3)C[C@H]21 ZINC001025814035 739996455 /nfs/dbraw/zinc/99/64/55/739996455.db2.gz FYDKWLZUJIFVJI-ZBRFXRBCSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001025814106 739997020 /nfs/dbraw/zinc/99/70/20/739997020.db2.gz UZEBJSLKNXEATL-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001025814106 739997023 /nfs/dbraw/zinc/99/70/23/739997023.db2.gz UZEBJSLKNXEATL-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H]3CCCO3)C[C@H]21 ZINC001025814106 739997027 /nfs/dbraw/zinc/99/70/27/739997027.db2.gz UZEBJSLKNXEATL-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC[C@H]3CCCO3)C[C@H]21 ZINC001025814106 739997032 /nfs/dbraw/zinc/99/70/32/739997032.db2.gz UZEBJSLKNXEATL-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326807 741805929 /nfs/dbraw/zinc/80/59/29/741805929.db2.gz GZMKCSOIWHDXDB-RHSMWYFYSA-N 2 1 346.479 0.915 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261963504 743191369 /nfs/dbraw/zinc/19/13/69/743191369.db2.gz KWIVFQRBFYALBO-GDBMZVCRSA-N 3 1 337.512 0.745 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261963504 743191376 /nfs/dbraw/zinc/19/13/76/743191376.db2.gz KWIVFQRBFYALBO-GDBMZVCRSA-N 2 1 337.512 0.745 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001020591309 751858271 /nfs/dbraw/zinc/85/82/71/751858271.db2.gz KKSQELUUIJSIER-JYJNAYRXSA-N 2 1 348.491 0.742 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999975915 745124658 /nfs/dbraw/zinc/12/46/58/745124658.db2.gz SFDXKVYICVFGPP-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999975915 745124662 /nfs/dbraw/zinc/12/46/62/745124662.db2.gz SFDXKVYICVFGPP-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975915 745124667 /nfs/dbraw/zinc/12/46/67/745124667.db2.gz SFDXKVYICVFGPP-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975915 745124672 /nfs/dbraw/zinc/12/46/72/745124672.db2.gz SFDXKVYICVFGPP-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046321 745227550 /nfs/dbraw/zinc/22/75/50/745227550.db2.gz SHPBDWIHPFEGOG-HOCLYGCPSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046321 745227554 /nfs/dbraw/zinc/22/75/54/745227554.db2.gz SHPBDWIHPFEGOG-HOCLYGCPSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046321 745227557 /nfs/dbraw/zinc/22/75/57/745227557.db2.gz SHPBDWIHPFEGOG-HOCLYGCPSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000983900635 745479199 /nfs/dbraw/zinc/47/91/99/745479199.db2.gz HSHCOODXDITSMS-BQFCYCMXSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000983900635 745479203 /nfs/dbraw/zinc/47/92/03/745479203.db2.gz HSHCOODXDITSMS-BQFCYCMXSA-N 2 1 341.459 0.867 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001000918520 745898993 /nfs/dbraw/zinc/89/89/93/745898993.db2.gz GNBXWLWJCKFMOL-JKSUJKDBSA-N 2 1 345.447 0.559 20 30 ECEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665195 746168796 /nfs/dbraw/zinc/16/87/96/746168796.db2.gz BQMHPIZZFFRMJI-RWBIUQBRSA-N 2 1 331.460 0.842 20 30 ECEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665195 746168798 /nfs/dbraw/zinc/16/87/98/746168798.db2.gz BQMHPIZZFFRMJI-RWBIUQBRSA-N 2 1 331.460 0.842 20 30 ECEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665195 746168801 /nfs/dbraw/zinc/16/88/01/746168801.db2.gz BQMHPIZZFFRMJI-RWBIUQBRSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342382 747567767 /nfs/dbraw/zinc/56/77/67/747567767.db2.gz AGJSTCNXDSYEGH-RDJZCZTQSA-N 2 1 342.447 0.401 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000979969164 748763075 /nfs/dbraw/zinc/76/30/75/748763075.db2.gz XMXJNVCCHBJZBZ-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000979969164 748763083 /nfs/dbraw/zinc/76/30/83/748763083.db2.gz XMXJNVCCHBJZBZ-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000979969164 748763086 /nfs/dbraw/zinc/76/30/86/748763086.db2.gz XMXJNVCCHBJZBZ-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000979969164 748763091 /nfs/dbraw/zinc/76/30/91/748763091.db2.gz XMXJNVCCHBJZBZ-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)n3)[C@H]2C)CC1 ZINC000987566873 750969342 /nfs/dbraw/zinc/96/93/42/750969342.db2.gz CFDKQJFALGUWSD-RHSMWYFYSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006312977 751231483 /nfs/dbraw/zinc/23/14/83/751231483.db2.gz CXBDMRQSINSUSD-HYVNUMGLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006312977 751231486 /nfs/dbraw/zinc/23/14/86/751231486.db2.gz CXBDMRQSINSUSD-HYVNUMGLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006312977 751231491 /nfs/dbraw/zinc/23/14/91/751231491.db2.gz CXBDMRQSINSUSD-HYVNUMGLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006312977 751231496 /nfs/dbraw/zinc/23/14/96/751231496.db2.gz CXBDMRQSINSUSD-HYVNUMGLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C[C@@H]2C)CC1 ZINC000989830048 754484637 /nfs/dbraw/zinc/48/46/37/754484637.db2.gz YZZLRQWQIAVGEC-GOEBONIOSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001009631437 755094398 /nfs/dbraw/zinc/09/43/98/755094398.db2.gz YPOXPMFAILGDMX-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001009631437 755094402 /nfs/dbraw/zinc/09/44/02/755094402.db2.gz YPOXPMFAILGDMX-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@H]32)CC1 ZINC001021739079 757890130 /nfs/dbraw/zinc/89/01/30/757890130.db2.gz GJYZMATUDTVUQQ-DLBZAZTESA-N 2 1 346.475 0.130 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783586 758080591 /nfs/dbraw/zinc/08/05/91/758080591.db2.gz ZZYWBKSEYHQXCJ-CVEARBPZSA-N 2 1 334.420 0.621 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083783586 758080600 /nfs/dbraw/zinc/08/06/00/758080600.db2.gz ZZYWBKSEYHQXCJ-CVEARBPZSA-N 2 1 334.420 0.621 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328860 758300397 /nfs/dbraw/zinc/30/03/97/758300397.db2.gz BAPDZRAZGQZZBL-GPMSIDNRSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328860 758300407 /nfs/dbraw/zinc/30/04/07/758300407.db2.gz BAPDZRAZGQZZBL-GPMSIDNRSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328860 758300417 /nfs/dbraw/zinc/30/04/17/758300417.db2.gz BAPDZRAZGQZZBL-GPMSIDNRSA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107329528 758302039 /nfs/dbraw/zinc/30/20/39/758302039.db2.gz YIIRGKFUAVGUHR-IIDMSEBBSA-N 2 1 347.463 0.081 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107329528 758302049 /nfs/dbraw/zinc/30/20/49/758302049.db2.gz YIIRGKFUAVGUHR-IIDMSEBBSA-N 2 1 347.463 0.081 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107329528 758302062 /nfs/dbraw/zinc/30/20/62/758302062.db2.gz YIIRGKFUAVGUHR-IIDMSEBBSA-N 2 1 347.463 0.081 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000996685212 758468696 /nfs/dbraw/zinc/46/86/96/758468696.db2.gz OBZPRJQNKOAHBE-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000996685212 758468700 /nfs/dbraw/zinc/46/87/00/758468700.db2.gz OBZPRJQNKOAHBE-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001107450365 758594672 /nfs/dbraw/zinc/59/46/72/758594672.db2.gz GJXSDVJYGBPEMK-IIDMSEBBSA-N 2 1 349.479 0.327 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127779570 758625710 /nfs/dbraw/zinc/62/57/10/758625710.db2.gz OFMSMSLPAHCPMV-WFASDCNBSA-N 2 1 334.445 0.689 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780103 758633544 /nfs/dbraw/zinc/63/35/44/758633544.db2.gz VYBATELOAPOMHJ-IAGOWNOFSA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780103 758633550 /nfs/dbraw/zinc/63/35/50/758633550.db2.gz VYBATELOAPOMHJ-IAGOWNOFSA-N 2 1 346.406 0.766 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC001022715724 759029486 /nfs/dbraw/zinc/02/94/86/759029486.db2.gz LAEWNBUMBFORSR-CAOSSQGBSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047635599 759362306 /nfs/dbraw/zinc/36/23/06/759362306.db2.gz HWIKENVGTVBMEY-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2O)CC1 ZINC001047638575 759376172 /nfs/dbraw/zinc/37/61/72/759376172.db2.gz ZCRSZXWTILEGDY-PVAVHDDUSA-N 2 1 339.455 0.583 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921084 759405721 /nfs/dbraw/zinc/40/57/21/759405721.db2.gz UZKRWGPGEIVKKK-QZTJIDSGSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083668781 760853772 /nfs/dbraw/zinc/85/37/72/760853772.db2.gz GLMSRETZWOICHE-MSOLQXFVSA-N 2 1 329.444 0.589 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]3C2)C1=O ZINC001048723762 761045283 /nfs/dbraw/zinc/04/52/83/761045283.db2.gz OTJUJDSEAFCMFU-VVLHAWIVSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723762 761045295 /nfs/dbraw/zinc/04/52/95/761045295.db2.gz OTJUJDSEAFCMFU-VVLHAWIVSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723762 761045302 /nfs/dbraw/zinc/04/53/02/761045302.db2.gz OTJUJDSEAFCMFU-VVLHAWIVSA-N 2 1 346.475 0.258 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001046850582 763231930 /nfs/dbraw/zinc/23/19/30/763231930.db2.gz WVDTUPUQLJRTHB-VQIMIIECSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)CCC2(F)F)CC1 ZINC001046996090 763535758 /nfs/dbraw/zinc/53/57/58/763535758.db2.gz SMVJCVLELVNTLN-OAHLLOKOSA-N 2 1 343.418 0.397 20 30 ECEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118468 763931189 /nfs/dbraw/zinc/93/11/89/763931189.db2.gz PSNMASCQCWMURH-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407678 764251412 /nfs/dbraw/zinc/25/14/12/764251412.db2.gz MNJHZDJGGOZEQP-SQNIBIBYSA-N 2 1 349.475 0.157 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407678 764251415 /nfs/dbraw/zinc/25/14/15/764251415.db2.gz MNJHZDJGGOZEQP-SQNIBIBYSA-N 2 1 349.475 0.157 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407678 764251416 /nfs/dbraw/zinc/25/14/16/764251416.db2.gz MNJHZDJGGOZEQP-SQNIBIBYSA-N 2 1 349.475 0.157 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001052457478 764541102 /nfs/dbraw/zinc/54/11/02/764541102.db2.gz RVEBVUYJHXLFBW-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001052457478 764541107 /nfs/dbraw/zinc/54/11/07/764541107.db2.gz RVEBVUYJHXLFBW-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001052457478 764541111 /nfs/dbraw/zinc/54/11/11/764541111.db2.gz RVEBVUYJHXLFBW-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001052457478 764541115 /nfs/dbraw/zinc/54/11/15/764541115.db2.gz RVEBVUYJHXLFBW-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875067 764601803 /nfs/dbraw/zinc/60/18/03/764601803.db2.gz LAOCYEBDYZYRQO-FJIDUMEYSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875067 764601809 /nfs/dbraw/zinc/60/18/09/764601809.db2.gz LAOCYEBDYZYRQO-FJIDUMEYSA-N 2 1 331.460 0.511 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001089882519 764659118 /nfs/dbraw/zinc/65/91/18/764659118.db2.gz DZCCMTAZLAVJRD-WNHJNPCNSA-N 2 1 345.487 0.899 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774124 764934729 /nfs/dbraw/zinc/93/47/29/764934729.db2.gz NSFLQLMJCFFNGT-KRWDZBQOSA-N 2 1 346.479 0.896 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796839 765336144 /nfs/dbraw/zinc/33/61/44/765336144.db2.gz RODXQJJIGZHLDY-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796839 765336146 /nfs/dbraw/zinc/33/61/46/765336146.db2.gz RODXQJJIGZHLDY-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001052938496 765387740 /nfs/dbraw/zinc/38/77/40/765387740.db2.gz YRANJIWYHAEGBS-IAGOWNOFSA-N 2 1 348.491 0.840 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)CC1 ZINC001052952355 765407308 /nfs/dbraw/zinc/40/73/08/765407308.db2.gz CQJWTIDOYUJRMZ-IAGOWNOFSA-N 2 1 348.491 0.566 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433842 768302649 /nfs/dbraw/zinc/30/26/49/768302649.db2.gz SZOIDABNJPJYBG-VNQPRFMTSA-N 2 1 345.447 0.014 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433841 768303041 /nfs/dbraw/zinc/30/30/41/768303041.db2.gz SZOIDABNJPJYBG-FVQBIDKESA-N 2 1 345.447 0.014 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034709 766716055 /nfs/dbraw/zinc/71/60/55/766716055.db2.gz XZRGOYAUBUZYSE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034709 766716069 /nfs/dbraw/zinc/71/60/69/766716069.db2.gz XZRGOYAUBUZYSE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034709 766716074 /nfs/dbraw/zinc/71/60/74/766716074.db2.gz XZRGOYAUBUZYSE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106582302 768461636 /nfs/dbraw/zinc/46/16/36/768461636.db2.gz YVSXXDLMHIWUHL-LTIDMASMSA-N 2 1 348.491 0.150 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018048754 768658904 /nfs/dbraw/zinc/65/89/04/768658904.db2.gz LITYFSFJDHRFCB-CALCHBBNSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018048754 768658907 /nfs/dbraw/zinc/65/89/07/768658907.db2.gz LITYFSFJDHRFCB-CALCHBBNSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001018985997 770483669 /nfs/dbraw/zinc/48/36/69/770483669.db2.gz PLOMKDAJJXLZGK-ULQDDVLXSA-N 2 1 344.459 0.061 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001018985997 770483672 /nfs/dbraw/zinc/48/36/72/770483672.db2.gz PLOMKDAJJXLZGK-ULQDDVLXSA-N 2 1 344.459 0.061 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC001018986234 770485416 /nfs/dbraw/zinc/48/54/16/770485416.db2.gz WPGLTYVMUHOHCG-RDJZCZTQSA-N 2 1 327.432 0.573 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC001018986234 770485419 /nfs/dbraw/zinc/48/54/19/770485419.db2.gz WPGLTYVMUHOHCG-RDJZCZTQSA-N 2 1 327.432 0.573 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001020144234 772213008 /nfs/dbraw/zinc/21/30/08/772213008.db2.gz WFAZQNFWQXJEIR-QBPKDAKJSA-N 2 1 348.491 0.883 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028765 790383451 /nfs/dbraw/zinc/38/34/51/790383451.db2.gz BXURRAKOPYUTPL-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028765 790383460 /nfs/dbraw/zinc/38/34/60/790383460.db2.gz BXURRAKOPYUTPL-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028765 790383473 /nfs/dbraw/zinc/38/34/73/790383473.db2.gz BXURRAKOPYUTPL-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028765 790383487 /nfs/dbraw/zinc/38/34/87/790383487.db2.gz BXURRAKOPYUTPL-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673115 776014196 /nfs/dbraw/zinc/01/41/96/776014196.db2.gz OHNPBNNCEGRZOE-BRWVUGGUSA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673115 776014201 /nfs/dbraw/zinc/01/42/01/776014201.db2.gz OHNPBNNCEGRZOE-BRWVUGGUSA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382799 783920960 /nfs/dbraw/zinc/92/09/60/783920960.db2.gz RKOFYUFIYWHDLE-NUJGCVRESA-N 2 1 346.475 0.047 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070433800 784059700 /nfs/dbraw/zinc/05/97/00/784059700.db2.gz DRYPLDBOZUYHIE-LSDHHAIUSA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070433800 784059703 /nfs/dbraw/zinc/05/97/03/784059703.db2.gz DRYPLDBOZUYHIE-LSDHHAIUSA-N 2 1 329.448 0.790 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070433800 784059709 /nfs/dbraw/zinc/05/97/09/784059709.db2.gz DRYPLDBOZUYHIE-LSDHHAIUSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070434191 784062103 /nfs/dbraw/zinc/06/21/03/784062103.db2.gz OUUXKJHNZBWSOJ-HUUCEWRRSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070434191 784062110 /nfs/dbraw/zinc/06/21/10/784062110.db2.gz OUUXKJHNZBWSOJ-HUUCEWRRSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001070434191 784062117 /nfs/dbraw/zinc/06/21/17/784062117.db2.gz OUUXKJHNZBWSOJ-HUUCEWRRSA-N 2 1 329.448 0.790 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494906 784189080 /nfs/dbraw/zinc/18/90/80/784189080.db2.gz PGSUYPUJLCXFTO-PNBKFKSVSA-N 2 1 329.448 0.278 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@H](C)O2 ZINC001071186046 784690419 /nfs/dbraw/zinc/69/04/19/784690419.db2.gz PPGDESMAIGCLQM-WMZOPIPTSA-N 2 1 331.460 0.940 20 30 ECEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633858 786827417 /nfs/dbraw/zinc/82/74/17/786827417.db2.gz IIECBKKBRXXPBU-QZTJIDSGSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633858 786827427 /nfs/dbraw/zinc/82/74/27/786827427.db2.gz IIECBKKBRXXPBU-QZTJIDSGSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001073633858 786827443 /nfs/dbraw/zinc/82/74/43/786827443.db2.gz IIECBKKBRXXPBU-QZTJIDSGSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633858 786827447 /nfs/dbraw/zinc/82/74/47/786827447.db2.gz IIECBKKBRXXPBU-QZTJIDSGSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741963 787099527 /nfs/dbraw/zinc/09/95/27/787099527.db2.gz ZLJSZOYMNKOCBY-IRXDYDNUSA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741963 787099533 /nfs/dbraw/zinc/09/95/33/787099533.db2.gz ZLJSZOYMNKOCBY-IRXDYDNUSA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741963 787099541 /nfs/dbraw/zinc/09/95/41/787099541.db2.gz ZLJSZOYMNKOCBY-IRXDYDNUSA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764858 787157437 /nfs/dbraw/zinc/15/74/37/787157437.db2.gz MMNIBLRJHANIDC-FUHWJXTLSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764858 787157441 /nfs/dbraw/zinc/15/74/41/787157441.db2.gz MMNIBLRJHANIDC-FUHWJXTLSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931403 790204142 /nfs/dbraw/zinc/20/41/42/790204142.db2.gz FGZBIVHUNUMRGI-HZMVEIRTSA-N 2 1 344.463 0.373 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931403 790204143 /nfs/dbraw/zinc/20/41/43/790204143.db2.gz FGZBIVHUNUMRGI-HZMVEIRTSA-N 2 1 344.463 0.373 20 30 ECEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267577156 837833955 /nfs/dbraw/zinc/83/39/55/837833955.db2.gz HMGSAFKMFQUHIN-UHFFFAOYSA-N 2 1 334.508 0.962 20 30 ECEDMP CC#CCN1CC[NH+](CCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267577156 837833967 /nfs/dbraw/zinc/83/39/67/837833967.db2.gz HMGSAFKMFQUHIN-UHFFFAOYSA-N 2 1 334.508 0.962 20 30 ECEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001266297391 835646836 /nfs/dbraw/zinc/64/68/36/835646836.db2.gz OTWBUVQVSGPHFX-KRWDZBQOSA-N 2 1 338.496 0.407 20 30 ECEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266297391 835646839 /nfs/dbraw/zinc/64/68/39/835646839.db2.gz OTWBUVQVSGPHFX-KRWDZBQOSA-N 2 1 338.496 0.407 20 30 ECEDMP C[N@@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCCCC1 ZINC001266701110 836165893 /nfs/dbraw/zinc/16/58/93/836165893.db2.gz GLIKLGVXEVLXKF-GASCZTMLSA-N 2 1 349.479 0.518 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853883 836386408 /nfs/dbraw/zinc/38/64/08/836386408.db2.gz VUZZTCQLYXHXBR-INIZCTEOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853883 836386420 /nfs/dbraw/zinc/38/64/20/836386420.db2.gz VUZZTCQLYXHXBR-INIZCTEOSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001266903393 836459587 /nfs/dbraw/zinc/45/95/87/836459587.db2.gz JZAKESBGYPWJDU-NRKLIOEPSA-N 2 1 348.491 0.291 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267046902 836674574 /nfs/dbraw/zinc/67/45/74/836674574.db2.gz FTSKFQDGJUFOBG-IAGOWNOFSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267113173 836801053 /nfs/dbraw/zinc/80/10/53/836801053.db2.gz FSEJAZGNPFHYCR-WBVHZDCISA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267113173 836801068 /nfs/dbraw/zinc/80/10/68/836801068.db2.gz FSEJAZGNPFHYCR-WBVHZDCISA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001267598195 837906658 /nfs/dbraw/zinc/90/66/58/837906658.db2.gz WGMFAISAVLCUGY-INIZCTEOSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267598195 837906666 /nfs/dbraw/zinc/90/66/66/837906666.db2.gz WGMFAISAVLCUGY-INIZCTEOSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267598195 837906672 /nfs/dbraw/zinc/90/66/72/837906672.db2.gz WGMFAISAVLCUGY-INIZCTEOSA-N 2 1 336.480 0.553 20 30 ECEDMP C#CCN1CC[NH+](CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001267617252 838038730 /nfs/dbraw/zinc/03/87/30/838038730.db2.gz BFYVGJRAAUEIAS-UHFFFAOYSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[NH+]1CCN(CCN(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001267617252 838038742 /nfs/dbraw/zinc/03/87/42/838038742.db2.gz BFYVGJRAAUEIAS-UHFFFAOYSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001267929593 838808641 /nfs/dbraw/zinc/80/86/41/838808641.db2.gz ZBCYGIMOQNSVAF-BZUAXINKSA-N 2 1 345.447 0.346 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N[C@@H]1CCOc2ccccc21 ZINC000088767626 436404603 /nfs/dbraw/zinc/40/46/03/436404603.db2.gz OYGRIKQBBXLQQO-GOEBONIOSA-N 2 1 331.464 0.921 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261835438 436891074 /nfs/dbraw/zinc/89/10/74/436891074.db2.gz VYJFIDPRUYMKDF-HNNXBMFYSA-N 2 1 331.424 0.574 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000296714747 436997860 /nfs/dbraw/zinc/99/78/60/436997860.db2.gz BQWMEEMHPPJRBX-UHFFFAOYSA-N 2 1 345.447 0.877 20 30 ECEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303905402 437158003 /nfs/dbraw/zinc/15/80/03/437158003.db2.gz VNYIBXWWSVVZSW-CYBMUJFWSA-N 2 1 325.457 0.806 20 30 ECEDMP C[C@](O)(CNC(=O)C1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000328785910 437263618 /nfs/dbraw/zinc/26/36/18/437263618.db2.gz WHSWMNUFGGQBIR-KRWDZBQOSA-N 2 1 325.453 0.901 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343898551 437689175 /nfs/dbraw/zinc/68/91/75/437689175.db2.gz ZNFJSOBQOAVNAF-GOEBONIOSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000373953634 438177576 /nfs/dbraw/zinc/17/75/76/438177576.db2.gz IUOSNFLXTQSKJW-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595959471 438899408 /nfs/dbraw/zinc/89/94/08/438899408.db2.gz FCPACPSFQOMPRP-IRXDYDNUSA-N 2 1 330.432 0.891 20 30 ECEDMP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595959472 438900968 /nfs/dbraw/zinc/90/09/68/438900968.db2.gz FCPACPSFQOMPRP-SJORKVTESA-N 2 1 330.432 0.891 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000491375445 439372998 /nfs/dbraw/zinc/37/29/98/439372998.db2.gz WFBPFPQYCZPFFD-UHFFFAOYSA-N 2 1 336.480 0.695 20 30 ECEDMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(CC#N)CC3)cn2)CC1 ZINC000610770667 439645248 /nfs/dbraw/zinc/64/52/48/439645248.db2.gz KKUHULYDDDZDKU-UHFFFAOYSA-N 2 1 329.452 0.306 20 30 ECEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732609 439863773 /nfs/dbraw/zinc/86/37/73/439863773.db2.gz FOHYFIOLDXHIMD-SJLPKXTDSA-N 2 1 336.480 0.207 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336095 441016544 /nfs/dbraw/zinc/01/65/44/441016544.db2.gz UQOBZSYMWANUOO-AWEZNQCLSA-N 2 1 332.452 0.301 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336095 441016551 /nfs/dbraw/zinc/01/65/51/441016551.db2.gz UQOBZSYMWANUOO-AWEZNQCLSA-N 2 1 332.452 0.301 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000836488084 588931424 /nfs/dbraw/zinc/93/14/24/588931424.db2.gz FYVUQGKQSCENDD-KRWDZBQOSA-N 2 1 336.480 0.884 20 30 ECEDMP C=C1[C@@H](C(=O)NCC[NH+](C)C(C)C)[C@@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000900701051 586657543 /nfs/dbraw/zinc/65/75/43/586657543.db2.gz VAXJEMPEMLJGCL-HZPDHXFCSA-N 2 1 338.496 0.701 20 30 ECEDMP C=CCN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(C)C ZINC000903723748 586801756 /nfs/dbraw/zinc/80/17/56/586801756.db2.gz HICOUSOBVZWSQV-CALCHBBNSA-N 2 1 348.491 0.837 20 30 ECEDMP C=CCN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(C)C ZINC000903723748 586801759 /nfs/dbraw/zinc/80/17/59/586801759.db2.gz HICOUSOBVZWSQV-CALCHBBNSA-N 2 1 348.491 0.837 20 30 ECEDMP C#CCNC(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000815096437 587282486 /nfs/dbraw/zinc/28/24/86/587282486.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C#CCNC(=O)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000815096437 587282489 /nfs/dbraw/zinc/28/24/89/587282489.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000815096437 587282491 /nfs/dbraw/zinc/28/24/91/587282491.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000815096437 587282493 /nfs/dbraw/zinc/28/24/93/587282493.db2.gz PUDVJGWHGXNVLP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000864911339 590115934 /nfs/dbraw/zinc/11/59/34/590115934.db2.gz TZWUQUAHUXFYCT-INIZCTEOSA-N 2 1 327.388 0.905 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481156 611433737 /nfs/dbraw/zinc/43/37/37/611433737.db2.gz SRGJXYCMTPRXQX-HUUCEWRRSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000947229465 608791649 /nfs/dbraw/zinc/79/16/49/608791649.db2.gz CDJWECVQWDSHTF-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CCN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841131 609951148 /nfs/dbraw/zinc/95/11/48/609951148.db2.gz BFIDFCUEVBNXER-IRXDYDNUSA-N 2 1 334.464 0.589 20 30 ECEDMP C#CCN(C(=O)NC[C@H]1CCC[N@@H+]1CCOC)C1CC[NH+](C)CC1 ZINC000917829987 609986334 /nfs/dbraw/zinc/98/63/34/609986334.db2.gz WGBRDNQATAOPRP-QGZVFWFLSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000942430360 610449161 /nfs/dbraw/zinc/44/91/61/610449161.db2.gz UNGSWFVDGHOJOI-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000942430360 610449162 /nfs/dbraw/zinc/44/91/62/610449162.db2.gz UNGSWFVDGHOJOI-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000942430360 610449163 /nfs/dbraw/zinc/44/91/63/610449163.db2.gz UNGSWFVDGHOJOI-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000942430360 610449164 /nfs/dbraw/zinc/44/91/64/610449164.db2.gz UNGSWFVDGHOJOI-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP Cn1nc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000187038328 611180618 /nfs/dbraw/zinc/18/06/18/611180618.db2.gz BDCUVGNGAYFNKO-UHFFFAOYSA-N 2 1 344.463 0.742 20 30 ECEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413091 611240624 /nfs/dbraw/zinc/24/06/24/611240624.db2.gz BLDCKKQSTFILNM-HZMVEIRTSA-N 2 1 342.399 0.459 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC000949060416 611834647 /nfs/dbraw/zinc/83/46/47/611834647.db2.gz ARYRVYLRBFFKHL-MRXNPFEDSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949060416 611834648 /nfs/dbraw/zinc/83/46/48/611834648.db2.gz ARYRVYLRBFFKHL-MRXNPFEDSA-N 2 1 335.448 0.034 20 30 ECEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370147 611954448 /nfs/dbraw/zinc/95/44/48/611954448.db2.gz LHXSSIARBPWJPK-SJORKVTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370147 611954450 /nfs/dbraw/zinc/95/44/50/611954450.db2.gz LHXSSIARBPWJPK-SJORKVTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370147 611954452 /nfs/dbraw/zinc/95/44/52/611954452.db2.gz LHXSSIARBPWJPK-SJORKVTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370147 611954453 /nfs/dbraw/zinc/95/44/53/611954453.db2.gz LHXSSIARBPWJPK-SJORKVTESA-N 2 1 349.475 0.729 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261991713 735301488 /nfs/dbraw/zinc/30/14/88/735301488.db2.gz RKPHBQFDPCQHGZ-GVDBMIGSSA-N 2 1 347.511 0.587 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)CCC1CCOCC1 ZINC000262017655 735393470 /nfs/dbraw/zinc/39/34/70/735393470.db2.gz YBQCUVQGLDYJRH-INIZCTEOSA-N 2 1 325.501 0.556 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCOCC2)C1 ZINC000969866191 732464792 /nfs/dbraw/zinc/46/47/92/732464792.db2.gz UTUVGLNEIDWIRG-YJBOKZPZSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCOCC2)C1 ZINC000969866191 732464795 /nfs/dbraw/zinc/46/47/95/732464795.db2.gz UTUVGLNEIDWIRG-YJBOKZPZSA-N 2 1 333.476 0.947 20 30 ECEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532755 733051490 /nfs/dbraw/zinc/05/14/90/733051490.db2.gz CTXQUSKEZYLLOE-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001211278160 734245435 /nfs/dbraw/zinc/24/54/35/734245435.db2.gz PYGPVMXUNLQYCO-JKSUJKDBSA-N 2 1 336.480 0.694 20 30 ECEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572338 736268601 /nfs/dbraw/zinc/26/86/01/736268601.db2.gz CMYDZMCNEXWGJU-UHFFFAOYSA-N 2 1 339.480 0.262 20 30 ECEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572338 736268603 /nfs/dbraw/zinc/26/86/03/736268603.db2.gz CMYDZMCNEXWGJU-UHFFFAOYSA-N 2 1 339.480 0.262 20 30 ECEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001098572338 736268604 /nfs/dbraw/zinc/26/86/04/736268604.db2.gz CMYDZMCNEXWGJU-UHFFFAOYSA-N 2 1 339.480 0.262 20 30 ECEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518421 736538417 /nfs/dbraw/zinc/53/84/17/736538417.db2.gz IVUQLKFBDJVQCD-AEFFLSMTSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518421 736538420 /nfs/dbraw/zinc/53/84/20/736538420.db2.gz IVUQLKFBDJVQCD-AEFFLSMTSA-N 2 1 337.464 0.585 20 30 ECEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520763 736550212 /nfs/dbraw/zinc/55/02/12/736550212.db2.gz SXAQLSJPSPKEHV-PKOBYXMFSA-N 2 1 349.475 0.422 20 30 ECEDMP CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520763 736550213 /nfs/dbraw/zinc/55/02/13/736550213.db2.gz SXAQLSJPSPKEHV-PKOBYXMFSA-N 2 1 349.475 0.422 20 30 ECEDMP C[NH+]=C(NCCN1CCSCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262764586 737304415 /nfs/dbraw/zinc/30/44/15/737304415.db2.gz FQFPJIUCXHXIBI-ZIAGYGMSSA-N 2 1 325.526 0.825 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001024022332 737627370 /nfs/dbraw/zinc/62/73/70/737627370.db2.gz UMEIERSJVLUQCL-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001024022332 737627371 /nfs/dbraw/zinc/62/73/71/737627371.db2.gz UMEIERSJVLUQCL-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007800 790309735 /nfs/dbraw/zinc/30/97/35/790309735.db2.gz AVKOZMLTQYVNGW-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007800 790309739 /nfs/dbraw/zinc/30/97/39/790309739.db2.gz AVKOZMLTQYVNGW-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007800 790309743 /nfs/dbraw/zinc/30/97/43/790309743.db2.gz AVKOZMLTQYVNGW-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007777 741160139 /nfs/dbraw/zinc/16/01/39/741160139.db2.gz FUKDVIBGOCSNEG-BZUAXINKSA-N 2 1 336.480 0.315 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013458 741165027 /nfs/dbraw/zinc/16/50/27/741165027.db2.gz NOXLMJLPXSQGOT-GDBMZVCRSA-N 2 1 347.463 0.568 20 30 ECEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013794 741165332 /nfs/dbraw/zinc/16/53/32/741165332.db2.gz USQHNNYPROXBHB-NVXWUHKLSA-N 2 1 332.448 0.916 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243534 741542398 /nfs/dbraw/zinc/54/23/98/741542398.db2.gz CQSNIZDNGPMAIR-CZUORRHYSA-N 2 1 332.452 0.667 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318875 741765087 /nfs/dbraw/zinc/76/50/87/741765087.db2.gz SIFBHLUCWMHXEP-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327240 741813421 /nfs/dbraw/zinc/81/34/21/741813421.db2.gz XXAXLGUFZNHOFY-CQSZACIVSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327240 741813425 /nfs/dbraw/zinc/81/34/25/741813425.db2.gz XXAXLGUFZNHOFY-CQSZACIVSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC001026893581 742038549 /nfs/dbraw/zinc/03/85/49/742038549.db2.gz LBVIYJHIKQTAMO-WBVHZDCISA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC001026893581 742038554 /nfs/dbraw/zinc/03/85/54/742038554.db2.gz LBVIYJHIKQTAMO-WBVHZDCISA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(CC)n2)C1 ZINC001026893517 742038730 /nfs/dbraw/zinc/03/87/30/742038730.db2.gz JDQWBVHYPJQELT-AEFFLSMTSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(CC)n2)C1 ZINC001026893517 742038734 /nfs/dbraw/zinc/03/87/34/742038734.db2.gz JDQWBVHYPJQELT-AEFFLSMTSA-N 2 1 343.475 0.939 20 30 ECEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000261611220 751796723 /nfs/dbraw/zinc/79/67/23/751796723.db2.gz FTASWUHCBGANSD-QKPAOTATSA-N 2 1 336.480 0.830 20 30 ECEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000261611220 751796732 /nfs/dbraw/zinc/79/67/32/751796732.db2.gz FTASWUHCBGANSD-QKPAOTATSA-N 2 1 336.480 0.830 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999391556 744672077 /nfs/dbraw/zinc/67/20/77/744672077.db2.gz LWZRWQLAZJIMBC-MSOLQXFVSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999391556 744672079 /nfs/dbraw/zinc/67/20/79/744672079.db2.gz LWZRWQLAZJIMBC-MSOLQXFVSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nncn2C)C1 ZINC000983901057 745477359 /nfs/dbraw/zinc/47/73/59/745477359.db2.gz KGXPPDPWOQDFOC-VGWMRTNUSA-N 2 1 344.463 0.458 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nncn2C)C1 ZINC000983901057 745477361 /nfs/dbraw/zinc/47/73/61/745477361.db2.gz KGXPPDPWOQDFOC-VGWMRTNUSA-N 2 1 344.463 0.458 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105360818 752021071 /nfs/dbraw/zinc/02/10/71/752021071.db2.gz JZDKTQKIEILWRJ-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105360818 752021074 /nfs/dbraw/zinc/02/10/74/752021074.db2.gz JZDKTQKIEILWRJ-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC001000992956 745958305 /nfs/dbraw/zinc/95/83/05/745958305.db2.gz ORFXJUJROWFCRD-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001001231624 746190750 /nfs/dbraw/zinc/19/07/50/746190750.db2.gz YXANFAVPDGKAQV-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@]2(C)C1 ZINC000982384547 752083621 /nfs/dbraw/zinc/08/36/21/752083621.db2.gz CSIOLMCETOEGPF-VYOWGEPCSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@]2(C)C1 ZINC000982384547 752083625 /nfs/dbraw/zinc/08/36/25/752083625.db2.gz CSIOLMCETOEGPF-VYOWGEPCSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@]2(C)C1 ZINC000982384547 752083630 /nfs/dbraw/zinc/08/36/30/752083630.db2.gz CSIOLMCETOEGPF-VYOWGEPCSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000979091274 747160694 /nfs/dbraw/zinc/16/06/94/747160694.db2.gz RFRCBFQVDNPFPC-DDBAPUKQSA-N 2 1 333.476 0.661 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001002827524 747841626 /nfs/dbraw/zinc/84/16/26/747841626.db2.gz VHZXWSCNEUZZIR-IRXDYDNUSA-N 2 1 348.491 0.245 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001002827524 747841633 /nfs/dbraw/zinc/84/16/33/747841633.db2.gz VHZXWSCNEUZZIR-IRXDYDNUSA-N 2 1 348.491 0.245 20 30 ECEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001088326563 748735106 /nfs/dbraw/zinc/73/51/06/748735106.db2.gz SIKDIRWOHVIWJN-DLBZAZTESA-N 2 1 331.464 0.807 20 30 ECEDMP C[C@@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)N1 ZINC000262671291 749254271 /nfs/dbraw/zinc/25/42/71/749254271.db2.gz RBJRHXDZYDTADF-CJNGLKHVSA-N 2 1 329.448 0.821 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001029904133 749534229 /nfs/dbraw/zinc/53/42/29/749534229.db2.gz NYQCTWQAPBNEFB-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)CC1 ZINC000980477665 749630233 /nfs/dbraw/zinc/63/02/33/749630233.db2.gz IROBMFWYXHUVTN-HOTGVXAUSA-N 2 1 334.464 0.128 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)N3CCC3)C2)CC1 ZINC000980479108 749632171 /nfs/dbraw/zinc/63/21/71/749632171.db2.gz SIBHPSIAKMNWSF-QGZVFWFLSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)N3CCC3)C2)CC1 ZINC000980479108 749632173 /nfs/dbraw/zinc/63/21/73/749632173.db2.gz SIBHPSIAKMNWSF-QGZVFWFLSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153506 750089424 /nfs/dbraw/zinc/08/94/24/750089424.db2.gz LGPRORLNAKZYTO-CQSZACIVSA-N 2 1 345.447 0.206 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001028333245 752401132 /nfs/dbraw/zinc/40/11/32/752401132.db2.gz HMQYMYVVGJOXFX-FUHWJXTLSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(=O)NC)CC1 ZINC001028333603 752411437 /nfs/dbraw/zinc/41/14/37/752411437.db2.gz OWSCCNIOKULXAS-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC)CC1 ZINC001028333603 752411439 /nfs/dbraw/zinc/41/14/39/752411439.db2.gz OWSCCNIOKULXAS-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982820229 753852418 /nfs/dbraw/zinc/85/24/18/753852418.db2.gz JXSPIWFHRHMVNZ-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820229 753852425 /nfs/dbraw/zinc/85/24/25/753852425.db2.gz JXSPIWFHRHMVNZ-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820229 753852433 /nfs/dbraw/zinc/85/24/33/753852433.db2.gz JXSPIWFHRHMVNZ-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820229 753852441 /nfs/dbraw/zinc/85/24/41/753852441.db2.gz JXSPIWFHRHMVNZ-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820229 753852449 /nfs/dbraw/zinc/85/24/49/753852449.db2.gz JXSPIWFHRHMVNZ-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC001028601805 753878190 /nfs/dbraw/zinc/87/81/90/753878190.db2.gz VLRQWJBJSWDPHJ-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC001028601805 753878198 /nfs/dbraw/zinc/87/81/98/753878198.db2.gz VLRQWJBJSWDPHJ-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001028601805 753878207 /nfs/dbraw/zinc/87/82/07/753878207.db2.gz VLRQWJBJSWDPHJ-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC001028601805 753878218 /nfs/dbraw/zinc/87/82/18/753878218.db2.gz VLRQWJBJSWDPHJ-SJORKVTESA-N 2 1 346.475 0.145 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989661005 754268983 /nfs/dbraw/zinc/26/89/83/754268983.db2.gz FDTDHHOFMAIIND-HOTGVXAUSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661005 754268986 /nfs/dbraw/zinc/26/89/86/754268986.db2.gz FDTDHHOFMAIIND-HOTGVXAUSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661005 754268989 /nfs/dbraw/zinc/26/89/89/754268989.db2.gz FDTDHHOFMAIIND-HOTGVXAUSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661005 754268992 /nfs/dbraw/zinc/26/89/92/754268992.db2.gz FDTDHHOFMAIIND-HOTGVXAUSA-N 2 1 334.464 0.259 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377154 754474172 /nfs/dbraw/zinc/47/41/72/754474172.db2.gz RSGHANKBOLRSIW-QGZVFWFLSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345599 754765937 /nfs/dbraw/zinc/76/59/37/754765937.db2.gz RMNGHBVQSCMOBX-OAHLLOKOSA-N 2 1 336.480 0.341 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048891663 757314620 /nfs/dbraw/zinc/31/46/20/757314620.db2.gz TWDJYTDELDCNOM-TWMKSMIVSA-N 2 1 348.491 0.504 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943923 757480621 /nfs/dbraw/zinc/48/06/21/757480621.db2.gz JRFSQFPLFJDIBW-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943923 757480625 /nfs/dbraw/zinc/48/06/25/757480625.db2.gz JRFSQFPLFJDIBW-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943923 757480631 /nfs/dbraw/zinc/48/06/31/757480631.db2.gz JRFSQFPLFJDIBW-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076957883 757749892 /nfs/dbraw/zinc/74/98/92/757749892.db2.gz ORVCOMWHRUYKCS-BHYGNILZSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076957883 757749900 /nfs/dbraw/zinc/74/99/00/757749900.db2.gz ORVCOMWHRUYKCS-BHYGNILZSA-N 2 1 348.491 0.435 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107329527 758302513 /nfs/dbraw/zinc/30/25/13/758302513.db2.gz YIIRGKFUAVGUHR-HDMKZQKVSA-N 2 1 347.463 0.081 20 30 ECEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107329527 758302521 /nfs/dbraw/zinc/30/25/21/758302521.db2.gz YIIRGKFUAVGUHR-HDMKZQKVSA-N 2 1 347.463 0.081 20 30 ECEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107329527 758302530 /nfs/dbraw/zinc/30/25/30/758302530.db2.gz YIIRGKFUAVGUHR-HDMKZQKVSA-N 2 1 347.463 0.081 20 30 ECEDMP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343109 758312884 /nfs/dbraw/zinc/31/28/84/758312884.db2.gz LEQYQISAYPHYBE-ZHALLVOQSA-N 2 1 349.475 0.328 20 30 ECEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343109 758312896 /nfs/dbraw/zinc/31/28/96/758312896.db2.gz LEQYQISAYPHYBE-ZHALLVOQSA-N 2 1 349.475 0.328 20 30 ECEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343109 758312902 /nfs/dbraw/zinc/31/29/02/758312902.db2.gz LEQYQISAYPHYBE-ZHALLVOQSA-N 2 1 349.475 0.328 20 30 ECEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343109 758312917 /nfs/dbraw/zinc/31/29/17/758312917.db2.gz LEQYQISAYPHYBE-ZHALLVOQSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001022220834 758440768 /nfs/dbraw/zinc/44/07/68/758440768.db2.gz RYFAZHUIDUNMFS-AIANPOQGSA-N 2 1 327.432 0.872 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cnccn2)C1 ZINC001022220834 758440774 /nfs/dbraw/zinc/44/07/74/758440774.db2.gz RYFAZHUIDUNMFS-AIANPOQGSA-N 2 1 327.432 0.872 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584473 759098415 /nfs/dbraw/zinc/09/84/15/759098415.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 2 1 332.448 0.951 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001098673035 760107481 /nfs/dbraw/zinc/10/74/81/760107481.db2.gz LUELXTFJWFPQFU-VNQPRFMTSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001098673035 760107487 /nfs/dbraw/zinc/10/74/87/760107487.db2.gz LUELXTFJWFPQFU-VNQPRFMTSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001052040481 763662724 /nfs/dbraw/zinc/66/27/24/763662724.db2.gz AWOAQPIYOPNUAV-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040481 763662730 /nfs/dbraw/zinc/66/27/30/763662730.db2.gz AWOAQPIYOPNUAV-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407676 764251473 /nfs/dbraw/zinc/25/14/73/764251473.db2.gz MNJHZDJGGOZEQP-BZSNNMDCSA-N 2 1 349.475 0.157 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407676 764251476 /nfs/dbraw/zinc/25/14/76/764251476.db2.gz MNJHZDJGGOZEQP-BZSNNMDCSA-N 2 1 349.475 0.157 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407676 764251477 /nfs/dbraw/zinc/25/14/77/764251477.db2.gz MNJHZDJGGOZEQP-BZSNNMDCSA-N 2 1 349.475 0.157 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453849 764396731 /nfs/dbraw/zinc/39/67/31/764396731.db2.gz RNFYTAMVGLVWRM-IRXDYDNUSA-N 2 1 341.415 0.961 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001047460536 764413081 /nfs/dbraw/zinc/41/30/81/764413081.db2.gz KFAATZYJJZJBGW-IRXDYDNUSA-N 2 1 332.448 0.842 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001047460536 764413087 /nfs/dbraw/zinc/41/30/87/764413087.db2.gz KFAATZYJJZJBGW-IRXDYDNUSA-N 2 1 332.448 0.842 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001052459005 764545475 /nfs/dbraw/zinc/54/54/75/764545475.db2.gz INHNIWYWGQQJHN-SJORKVTESA-N 2 1 344.463 0.346 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001052459005 764545478 /nfs/dbraw/zinc/54/54/78/764545478.db2.gz INHNIWYWGQQJHN-SJORKVTESA-N 2 1 344.463 0.346 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCn2cncn2)CC1 ZINC001052459005 764545482 /nfs/dbraw/zinc/54/54/82/764545482.db2.gz INHNIWYWGQQJHN-SJORKVTESA-N 2 1 344.463 0.346 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCn2cncn2)CC1 ZINC001052459005 764545486 /nfs/dbraw/zinc/54/54/86/764545486.db2.gz INHNIWYWGQQJHN-SJORKVTESA-N 2 1 344.463 0.346 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001031674799 766429619 /nfs/dbraw/zinc/42/96/19/766429619.db2.gz PQTUPFHTNQFOQN-IAGOWNOFSA-N 2 1 346.475 0.163 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000994750697 766687264 /nfs/dbraw/zinc/68/72/64/766687264.db2.gz BPTCTNBORUJHSF-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000994750697 766687267 /nfs/dbraw/zinc/68/72/67/766687267.db2.gz BPTCTNBORUJHSF-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000994750697 766687270 /nfs/dbraw/zinc/68/72/70/766687270.db2.gz BPTCTNBORUJHSF-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000994750697 766687278 /nfs/dbraw/zinc/68/72/78/766687278.db2.gz BPTCTNBORUJHSF-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001046036962 766729964 /nfs/dbraw/zinc/72/99/64/766729964.db2.gz QRHVQFAMCSCITD-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC#CC)C2)CC1 ZINC001046036962 766729967 /nfs/dbraw/zinc/72/99/67/766729967.db2.gz QRHVQFAMCSCITD-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC#CC)C2)CC1 ZINC001046036962 766729970 /nfs/dbraw/zinc/72/99/70/766729970.db2.gz QRHVQFAMCSCITD-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC#CC)C2)CC1 ZINC001046036962 766729975 /nfs/dbraw/zinc/72/99/75/766729975.db2.gz QRHVQFAMCSCITD-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016740838 766827173 /nfs/dbraw/zinc/82/71/73/766827173.db2.gz PKBQQTXOVWFOBB-ASPXRTSYSA-N 2 1 343.471 0.844 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046061986 766832194 /nfs/dbraw/zinc/83/21/94/766832194.db2.gz QBCHVRIERQJRJN-QZTJIDSGSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001046086184 766928108 /nfs/dbraw/zinc/92/81/08/766928108.db2.gz MXJXHTYKQYHHSR-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CC4CC4)C3)C2)CC1 ZINC001054016513 767607388 /nfs/dbraw/zinc/60/73/88/767607388.db2.gz DODSXAWORYFPBX-QGZVFWFLSA-N 2 1 331.460 0.701 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001055538658 769051476 /nfs/dbraw/zinc/05/14/76/769051476.db2.gz JHVNKTPHPYEERH-UHFFFAOYSA-N 2 1 347.463 0.855 20 30 ECEDMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055632372 769306719 /nfs/dbraw/zinc/30/67/19/769306719.db2.gz TUDYKKJVPPQLIF-AWEZNQCLSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC3CCOCC3)C2)CC1 ZINC001031435325 771070071 /nfs/dbraw/zinc/07/00/71/771070071.db2.gz XVDAGEABEUAEAO-UHFFFAOYSA-N 2 1 333.476 0.949 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001020045628 772106619 /nfs/dbraw/zinc/10/66/19/772106619.db2.gz GOTVSRLQPKTYCA-ULQDDVLXSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001020045628 772106623 /nfs/dbraw/zinc/10/66/23/772106623.db2.gz GOTVSRLQPKTYCA-ULQDDVLXSA-N 2 1 328.416 0.626 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC001042268220 783011401 /nfs/dbraw/zinc/01/14/01/783011401.db2.gz ZQUQXGBURFFVRY-NVXWUHKLSA-N 2 1 329.448 0.614 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001020397808 772541096 /nfs/dbraw/zinc/54/10/96/772541096.db2.gz BUKWHPLFIOKROE-KKUMJFAQSA-N 2 1 331.420 0.215 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncccn2)CC1 ZINC001045321395 775409125 /nfs/dbraw/zinc/40/91/25/775409125.db2.gz OIWPWZKPOHQEHW-KRWDZBQOSA-N 2 1 341.459 0.902 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390659 775526068 /nfs/dbraw/zinc/52/60/68/775526068.db2.gz TVWOXDDWCXVETF-HOTGVXAUSA-N 2 1 348.491 0.838 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076866 790523868 /nfs/dbraw/zinc/52/38/68/790523868.db2.gz YROABXFJHUHDNT-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076866 790523879 /nfs/dbraw/zinc/52/38/79/790523879.db2.gz YROABXFJHUHDNT-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076866 790523883 /nfs/dbraw/zinc/52/38/83/790523883.db2.gz YROABXFJHUHDNT-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001041408111 781449440 /nfs/dbraw/zinc/44/94/40/781449440.db2.gz KJHJHZVYWCOOIK-LJQANCHMSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488422 781616244 /nfs/dbraw/zinc/61/62/44/781616244.db2.gz HIHMWGQGBBYHEL-DPCKTDSQSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488422 781616250 /nfs/dbraw/zinc/61/62/50/781616250.db2.gz HIHMWGQGBBYHEL-DPCKTDSQSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488422 781616255 /nfs/dbraw/zinc/61/62/55/781616255.db2.gz HIHMWGQGBBYHEL-DPCKTDSQSA-N 2 1 329.444 0.407 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070402938 783974932 /nfs/dbraw/zinc/97/49/32/783974932.db2.gz IEJYKJVKEXXFQU-HIFRSBDPSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070402938 783974941 /nfs/dbraw/zinc/97/49/41/783974941.db2.gz IEJYKJVKEXXFQU-HIFRSBDPSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070402938 783974948 /nfs/dbraw/zinc/97/49/48/783974948.db2.gz IEJYKJVKEXXFQU-HIFRSBDPSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070402938 783974955 /nfs/dbraw/zinc/97/49/55/783974955.db2.gz IEJYKJVKEXXFQU-HIFRSBDPSA-N 2 1 333.436 0.332 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070491626 784184042 /nfs/dbraw/zinc/18/40/42/784184042.db2.gz WAQGVGHAUQAZEC-JQHSSLGASA-N 2 1 343.475 0.810 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502286 784198194 /nfs/dbraw/zinc/19/81/94/784198194.db2.gz HTXBTLFCCXGBGU-SOLBZPMBSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533918 784239643 /nfs/dbraw/zinc/23/96/43/784239643.db2.gz XSNGNJAVEALPKO-HLLBOEOZSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001070668092 784525437 /nfs/dbraw/zinc/52/54/37/784525437.db2.gz AOVVNNGFOYRUHO-HUUCEWRRSA-N 2 1 326.404 0.142 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070689915 784557051 /nfs/dbraw/zinc/55/70/51/784557051.db2.gz WXOIUDVINBTPMX-BZUAXINKSA-N 2 1 329.448 0.279 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071225682 784783126 /nfs/dbraw/zinc/78/31/26/784783126.db2.gz NUDIITXRIWCNRS-VQIMIIECSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001071243826 784821087 /nfs/dbraw/zinc/82/10/87/784821087.db2.gz LYYDYQGLKBIJQB-APWZRJJASA-N 2 1 349.475 0.016 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660701 786901989 /nfs/dbraw/zinc/90/19/89/786901989.db2.gz MBLPQKJZFNOHJL-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660701 786901996 /nfs/dbraw/zinc/90/19/96/786901996.db2.gz MBLPQKJZFNOHJL-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660701 786902002 /nfs/dbraw/zinc/90/20/02/786902002.db2.gz MBLPQKJZFNOHJL-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660701 786902008 /nfs/dbraw/zinc/90/20/08/786902008.db2.gz MBLPQKJZFNOHJL-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740947 787094138 /nfs/dbraw/zinc/09/41/38/787094138.db2.gz MBABCOLCAWAIBC-DLBZAZTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740947 787094147 /nfs/dbraw/zinc/09/41/47/787094147.db2.gz MBABCOLCAWAIBC-DLBZAZTESA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740947 787094158 /nfs/dbraw/zinc/09/41/58/787094158.db2.gz MBABCOLCAWAIBC-DLBZAZTESA-N 2 1 339.480 0.879 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC=C)C1 ZINC001267535580 837712973 /nfs/dbraw/zinc/71/29/73/837712973.db2.gz BCBAOQHRPOMQKD-IRXDYDNUSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC=C)C1 ZINC001267535580 837712978 /nfs/dbraw/zinc/71/29/78/837712978.db2.gz BCBAOQHRPOMQKD-IRXDYDNUSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC=C)C1 ZINC001267535580 837712981 /nfs/dbraw/zinc/71/29/81/837712981.db2.gz BCBAOQHRPOMQKD-IRXDYDNUSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC=C)C1 ZINC001267535580 837712986 /nfs/dbraw/zinc/71/29/86/837712986.db2.gz BCBAOQHRPOMQKD-IRXDYDNUSA-N 2 1 346.475 0.214 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267548368 837744423 /nfs/dbraw/zinc/74/44/23/837744423.db2.gz DPJQGDPZBCCVDV-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267548368 837744431 /nfs/dbraw/zinc/74/44/31/837744431.db2.gz DPJQGDPZBCCVDV-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267548368 837744436 /nfs/dbraw/zinc/74/44/36/837744436.db2.gz DPJQGDPZBCCVDV-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267548368 837744444 /nfs/dbraw/zinc/74/44/44/837744444.db2.gz DPJQGDPZBCCVDV-CVEARBPZSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267558150 837767634 /nfs/dbraw/zinc/76/76/34/837767634.db2.gz STZVESIGWDZFMS-RDJZCZTQSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001267558150 837767651 /nfs/dbraw/zinc/76/76/51/837767651.db2.gz STZVESIGWDZFMS-RDJZCZTQSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001267558150 837767656 /nfs/dbraw/zinc/76/76/56/837767656.db2.gz STZVESIGWDZFMS-RDJZCZTQSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001267558150 837767661 /nfs/dbraw/zinc/76/76/61/837767661.db2.gz STZVESIGWDZFMS-RDJZCZTQSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326056 835703724 /nfs/dbraw/zinc/70/37/24/835703724.db2.gz XDVRTURILJGYFJ-HOTGVXAUSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326056 835703729 /nfs/dbraw/zinc/70/37/29/835703729.db2.gz XDVRTURILJGYFJ-HOTGVXAUSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471099 835873259 /nfs/dbraw/zinc/87/32/59/835873259.db2.gz IGIBQEVLIJZOJW-HZPDHXFCSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001266471099 835873266 /nfs/dbraw/zinc/87/32/66/835873266.db2.gz IGIBQEVLIJZOJW-HZPDHXFCSA-N 2 1 348.491 0.886 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520992 835935368 /nfs/dbraw/zinc/93/53/68/835935368.db2.gz XUXOGHOZEQTPFU-HOTGVXAUSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266551093 835976185 /nfs/dbraw/zinc/97/61/85/835976185.db2.gz LEUJMNJISKNRDW-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001266551093 835976189 /nfs/dbraw/zinc/97/61/89/835976189.db2.gz LEUJMNJISKNRDW-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001266551093 835976196 /nfs/dbraw/zinc/97/61/96/835976196.db2.gz LEUJMNJISKNRDW-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC(=O)N1CCC1 ZINC001266562715 835992113 /nfs/dbraw/zinc/99/21/13/835992113.db2.gz LRDSCLZZUDIJTA-INIZCTEOSA-N 2 1 334.464 0.145 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC(=O)N1CCC1 ZINC001266562715 835992123 /nfs/dbraw/zinc/99/21/23/835992123.db2.gz LRDSCLZZUDIJTA-INIZCTEOSA-N 2 1 334.464 0.145 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266797658 836318932 /nfs/dbraw/zinc/31/89/32/836318932.db2.gz FPFKXLFXQISHGZ-CVEARBPZSA-N 2 1 347.463 0.710 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC001266911637 836469898 /nfs/dbraw/zinc/46/98/98/836469898.db2.gz JVBQBGOLQDLRLE-BACDZXNISA-N 2 1 337.464 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC001266911637 836469905 /nfs/dbraw/zinc/46/99/05/836469905.db2.gz JVBQBGOLQDLRLE-BACDZXNISA-N 2 1 337.464 0.108 20 30 ECEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267001382 836591491 /nfs/dbraw/zinc/59/14/91/836591491.db2.gz OWDNEAOEOKSSED-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267001380 836592177 /nfs/dbraw/zinc/59/21/77/836592177.db2.gz OWDNEAOEOKSSED-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001267012928 836615336 /nfs/dbraw/zinc/61/53/36/836615336.db2.gz LNFQXJQDHULWQR-HNNXBMFYSA-N 2 1 348.491 0.579 20 30 ECEDMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001267062012 836702044 /nfs/dbraw/zinc/70/20/44/836702044.db2.gz QTTWVWOQJDJENU-CQSZACIVSA-N 2 1 346.435 0.084 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnn(CC)n2)CC1 ZINC001267117948 836815264 /nfs/dbraw/zinc/81/52/64/836815264.db2.gz YTOQXRMUBQBTBJ-UHFFFAOYSA-N 2 1 332.452 0.191 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001267618843 838051450 /nfs/dbraw/zinc/05/14/50/838051450.db2.gz TUIKGZNNZNUBPZ-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001267618843 838051463 /nfs/dbraw/zinc/05/14/63/838051463.db2.gz TUIKGZNNZNUBPZ-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267665417 838190430 /nfs/dbraw/zinc/19/04/30/838190430.db2.gz HJEXNTKTJIZPLX-OAHLLOKOSA-N 2 1 333.436 0.274 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267665417 838190436 /nfs/dbraw/zinc/19/04/36/838190436.db2.gz HJEXNTKTJIZPLX-OAHLLOKOSA-N 2 1 333.436 0.274 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267944827 838834086 /nfs/dbraw/zinc/83/40/86/838834086.db2.gz NGCUTKYITNRQJA-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000080999851 217348603 /nfs/dbraw/zinc/34/86/03/217348603.db2.gz YQOYSMITCVZRDQ-QGZVFWFLSA-N 2 1 330.432 0.779 20 30 ECEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000080999851 217348607 /nfs/dbraw/zinc/34/86/07/217348607.db2.gz YQOYSMITCVZRDQ-QGZVFWFLSA-N 2 1 330.432 0.779 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000340215831 437605112 /nfs/dbraw/zinc/60/51/12/437605112.db2.gz VMWPGQAAWHYZJY-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083031350 436367719 /nfs/dbraw/zinc/36/77/19/436367719.db2.gz DWKJBWWSHUMKTG-OAHLLOKOSA-N 2 1 345.447 0.579 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCOCC2)O1 ZINC000262129918 436909885 /nfs/dbraw/zinc/90/98/85/436909885.db2.gz KPCKSLHWNXCCJY-ZIAGYGMSSA-N 2 1 326.441 0.297 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N1CCOCC1 ZINC000264123792 437016247 /nfs/dbraw/zinc/01/62/47/437016247.db2.gz VSVJMKJZAHYVQV-MRXNPFEDSA-N 2 1 346.479 0.807 20 30 ECEDMP Cc1nc2ccccc2n1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264130281 437016877 /nfs/dbraw/zinc/01/68/77/437016877.db2.gz TZPDMIPWNZQXCB-UHFFFAOYSA-N 2 1 344.463 0.971 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCCOC ZINC000264125197 437016928 /nfs/dbraw/zinc/01/69/28/437016928.db2.gz WFNABROOKYEPLP-HNNXBMFYSA-N 2 1 335.452 0.995 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1 ZINC000264100125 437017106 /nfs/dbraw/zinc/01/71/06/437017106.db2.gz MNRPQTFAVFTEKM-ZDUSSCGKSA-N 2 1 339.465 0.223 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174893148 437089724 /nfs/dbraw/zinc/08/97/24/437089724.db2.gz JAIYWDQPPRVMPA-SJORKVTESA-N 2 1 335.496 0.849 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174893148 437089726 /nfs/dbraw/zinc/08/97/26/437089726.db2.gz JAIYWDQPPRVMPA-SJORKVTESA-N 2 1 335.496 0.849 20 30 ECEDMP COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304807903 437160496 /nfs/dbraw/zinc/16/04/96/437160496.db2.gz UCZRCVCZDFSLMB-OAHLLOKOSA-N 2 1 325.501 0.876 20 30 ECEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288790695 437355763 /nfs/dbraw/zinc/35/57/63/437355763.db2.gz XTEHBYOXLZQHBS-UHFFFAOYSA-N 2 1 325.363 0.856 20 30 ECEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000268093424 437366096 /nfs/dbraw/zinc/36/60/96/437366096.db2.gz UQCZWFSGXLVOME-MRXNPFEDSA-N 2 1 345.495 0.891 20 30 ECEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000267396513 437327229 /nfs/dbraw/zinc/32/72/29/437327229.db2.gz FAQMFNPVBDAPHR-HNNXBMFYSA-N 2 1 331.468 0.788 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(F)c(F)c1 ZINC000267448692 437328229 /nfs/dbraw/zinc/32/82/29/437328229.db2.gz QUSSCQSERRAUAI-UHFFFAOYSA-N 2 1 342.390 0.970 20 30 ECEDMP CO[C@H](C)c1nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000267733630 437329172 /nfs/dbraw/zinc/32/91/72/437329172.db2.gz ZOKGBXVFCCGDMC-GFCCVEGCSA-N 2 1 341.481 0.977 20 30 ECEDMP CC(C)(CNC(=O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCOCC1 ZINC000329607273 437391883 /nfs/dbraw/zinc/39/18/83/437391883.db2.gz BJRVUGZWVXIUAV-ZNMIVQPWSA-N 2 1 325.453 0.756 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000343769160 437650605 /nfs/dbraw/zinc/65/06/05/437650605.db2.gz SGSAIYXAZMBKQL-MRXNPFEDSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000343766977 437650805 /nfs/dbraw/zinc/65/08/05/437650805.db2.gz PQBMNCOKCMRURJ-UHFFFAOYSA-N 2 1 334.464 0.521 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000378448446 438390098 /nfs/dbraw/zinc/39/00/98/438390098.db2.gz CVMXCWQVGPEUAL-HZMVEIRTSA-N 2 1 334.464 0.980 20 30 ECEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000575060015 438735810 /nfs/dbraw/zinc/73/58/10/438735810.db2.gz TUQMCWIFWJVZJF-QGZVFWFLSA-N 2 1 333.432 0.734 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764070343 579570703 /nfs/dbraw/zinc/57/07/03/579570703.db2.gz AARRCEYPXBERGS-KSZLIROESA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764070343 579570705 /nfs/dbraw/zinc/57/07/05/579570705.db2.gz AARRCEYPXBERGS-KSZLIROESA-N 2 1 332.492 0.568 20 30 ECEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873524 589520921 /nfs/dbraw/zinc/52/09/21/589520921.db2.gz XREXCYVUPSANRI-UHFFFAOYSA-N 3 1 327.432 0.775 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182323 590279226 /nfs/dbraw/zinc/27/92/26/590279226.db2.gz KVIKEKDUQJCFLU-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000879585700 590326255 /nfs/dbraw/zinc/32/62/55/590326255.db2.gz AUMYJNKRQWKEDH-UHFFFAOYSA-N 2 1 341.459 0.844 20 30 ECEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000876744434 590407828 /nfs/dbraw/zinc/40/78/28/590407828.db2.gz SPNZCNSGINFKRX-NUJGCVRESA-N 2 1 340.427 0.724 20 30 ECEDMP CC(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCOCC1 ZINC000884183774 590765908 /nfs/dbraw/zinc/76/59/08/590765908.db2.gz WXJKODIFFMHVRP-BNQMIIOLSA-N 2 1 334.464 0.599 20 30 ECEDMP COCC(C)(C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884369930 590814689 /nfs/dbraw/zinc/81/46/89/590814689.db2.gz UDFZYHQPHUUPAG-SWKXRBFHSA-N 2 1 334.464 0.695 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000948449904 611601737 /nfs/dbraw/zinc/60/17/37/611601737.db2.gz YBOVKKNDROCMMM-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000948449904 611601738 /nfs/dbraw/zinc/60/17/38/611601738.db2.gz YBOVKKNDROCMMM-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000948449904 611601740 /nfs/dbraw/zinc/60/17/40/611601740.db2.gz YBOVKKNDROCMMM-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000948449904 611601741 /nfs/dbraw/zinc/60/17/41/611601741.db2.gz YBOVKKNDROCMMM-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938195726 609522666 /nfs/dbraw/zinc/52/26/66/609522666.db2.gz JGRDDDAZRCFVSS-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938195726 609522669 /nfs/dbraw/zinc/52/26/69/609522669.db2.gz JGRDDDAZRCFVSS-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091701 610532495 /nfs/dbraw/zinc/53/24/95/610532495.db2.gz XYSDTRCSCPZNHY-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000941242123 610615125 /nfs/dbraw/zinc/61/51/25/610615125.db2.gz VSSFUSZRRQPPQT-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000941242123 610615128 /nfs/dbraw/zinc/61/51/28/610615128.db2.gz VSSFUSZRRQPPQT-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000941245222 610616183 /nfs/dbraw/zinc/61/61/83/610616183.db2.gz KLKQVUJBEGDYSU-WBVHZDCISA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000941245222 610616185 /nfs/dbraw/zinc/61/61/85/610616185.db2.gz KLKQVUJBEGDYSU-WBVHZDCISA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000941245222 610616187 /nfs/dbraw/zinc/61/61/87/610616187.db2.gz KLKQVUJBEGDYSU-WBVHZDCISA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000941245222 610616188 /nfs/dbraw/zinc/61/61/88/610616188.db2.gz KLKQVUJBEGDYSU-WBVHZDCISA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058433 610636540 /nfs/dbraw/zinc/63/65/40/610636540.db2.gz XTYCLRRAZGGNIJ-HZPDHXFCSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000944098665 611130955 /nfs/dbraw/zinc/13/09/55/611130955.db2.gz CZUQGISZKVTZLT-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000944098665 611130957 /nfs/dbraw/zinc/13/09/57/611130957.db2.gz CZUQGISZKVTZLT-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000944098665 611130958 /nfs/dbraw/zinc/13/09/58/611130958.db2.gz CZUQGISZKVTZLT-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000944098665 611130960 /nfs/dbraw/zinc/13/09/60/611130960.db2.gz CZUQGISZKVTZLT-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)CC1 ZINC000946902788 611245878 /nfs/dbraw/zinc/24/58/78/611245878.db2.gz ZAZXGZOGFZPPFN-KDURUIRLSA-N 2 1 347.503 0.884 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(CC)n3)C2)CC1 ZINC000970791910 733943012 /nfs/dbraw/zinc/94/30/12/733943012.db2.gz BXBNWXGMSOQAQX-MRXNPFEDSA-N 2 1 344.463 0.334 20 30 ECEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174406 782428111 /nfs/dbraw/zinc/42/81/11/782428111.db2.gz KHLZZQIPUUSKSA-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174406 782428116 /nfs/dbraw/zinc/42/81/16/782428116.db2.gz KHLZZQIPUUSKSA-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174406 782428121 /nfs/dbraw/zinc/42/81/21/782428121.db2.gz KHLZZQIPUUSKSA-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174406 782428126 /nfs/dbraw/zinc/42/81/26/782428126.db2.gz KHLZZQIPUUSKSA-BRWVUGGUSA-N 2 1 328.416 0.171 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235299 735821865 /nfs/dbraw/zinc/82/18/65/735821865.db2.gz MWYSFLJOZYGURG-DLBZAZTESA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433393 736191779 /nfs/dbraw/zinc/19/17/79/736191779.db2.gz AGYBCUKLHQCCSF-LDBBTLTOSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001024021444 737625892 /nfs/dbraw/zinc/62/58/92/737625892.db2.gz DNXGJFZEOWOVSY-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001024021444 737625895 /nfs/dbraw/zinc/62/58/95/737625895.db2.gz DNXGJFZEOWOVSY-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425397 739482277 /nfs/dbraw/zinc/48/22/77/739482277.db2.gz PJKNJTRXUYDLHQ-JKSUJKDBSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001026043575 740336424 /nfs/dbraw/zinc/33/64/24/740336424.db2.gz NVZSNMWJNRJCET-ZNFSNMQZSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001026043575 740336428 /nfs/dbraw/zinc/33/64/28/740336428.db2.gz NVZSNMWJNRJCET-ZNFSNMQZSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001026043575 740336434 /nfs/dbraw/zinc/33/64/34/740336434.db2.gz NVZSNMWJNRJCET-ZNFSNMQZSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001026043572 740336648 /nfs/dbraw/zinc/33/66/48/740336648.db2.gz NVZSNMWJNRJCET-LFRCEIEQSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001026043572 740336653 /nfs/dbraw/zinc/33/66/53/740336653.db2.gz NVZSNMWJNRJCET-LFRCEIEQSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001026043572 740336657 /nfs/dbraw/zinc/33/66/57/740336657.db2.gz NVZSNMWJNRJCET-LFRCEIEQSA-N 2 1 346.475 0.162 20 30 ECEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104937510 740971241 /nfs/dbraw/zinc/97/12/41/740971241.db2.gz BIYCVQAGUKGKDP-HUUCEWRRSA-N 2 1 337.468 0.042 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001038369693 741337647 /nfs/dbraw/zinc/33/76/47/741337647.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCCN1CCCC1=O ZINC001038369693 741337651 /nfs/dbraw/zinc/33/76/51/741337651.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105259997 741583049 /nfs/dbraw/zinc/58/30/49/741583049.db2.gz WLVHEDGJGIPLPG-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749030 741758582 /nfs/dbraw/zinc/75/85/82/741758582.db2.gz AAMWXELTAQHPLF-CRAIPNDOSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749030 741758583 /nfs/dbraw/zinc/75/85/83/741758583.db2.gz AAMWXELTAQHPLF-CRAIPNDOSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001026893444 742037961 /nfs/dbraw/zinc/03/79/61/742037961.db2.gz GQBSYMVHZOOOOP-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001026893444 742037966 /nfs/dbraw/zinc/03/79/66/742037966.db2.gz GQBSYMVHZOOOOP-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000997000382 743111814 /nfs/dbraw/zinc/11/18/14/743111814.db2.gz PSWHXWAYJRLASM-RDJZCZTQSA-N 2 1 348.491 0.838 20 30 ECEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261968304 743197145 /nfs/dbraw/zinc/19/71/45/743197145.db2.gz MAJYWUNBLWLMOO-TZMCWYRMSA-N 2 1 331.468 0.762 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997304161 743466315 /nfs/dbraw/zinc/46/63/15/743466315.db2.gz QRYUADNZIWGGPP-ZBFHGGJFSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001020588747 751850627 /nfs/dbraw/zinc/85/06/27/751850627.db2.gz LAEWNBUMBFORSR-KLHDSHLOSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296358 751900316 /nfs/dbraw/zinc/90/03/16/751900316.db2.gz QSSULJVGFQENPM-QRQLOZEOSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296358 751900318 /nfs/dbraw/zinc/90/03/18/751900318.db2.gz QSSULJVGFQENPM-QRQLOZEOSA-N 2 1 343.475 0.617 20 30 ECEDMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998586241 744243981 /nfs/dbraw/zinc/24/39/81/744243981.db2.gz PFSUAORDXTYGJJ-DAWZGUTISA-N 2 1 342.443 0.968 20 30 ECEDMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998586241 744243983 /nfs/dbraw/zinc/24/39/83/744243983.db2.gz PFSUAORDXTYGJJ-DAWZGUTISA-N 2 1 342.443 0.968 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825898 744362509 /nfs/dbraw/zinc/36/25/09/744362509.db2.gz NNQVDYBUYKCNAM-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825898 744362511 /nfs/dbraw/zinc/36/25/11/744362511.db2.gz NNQVDYBUYKCNAM-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999390218 744670587 /nfs/dbraw/zinc/67/05/87/744670587.db2.gz FHRLQWAAFQRRND-RDJZCZTQSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999390218 744670591 /nfs/dbraw/zinc/67/05/91/744670591.db2.gz FHRLQWAAFQRRND-RDJZCZTQSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977301205 744846308 /nfs/dbraw/zinc/84/63/08/744846308.db2.gz GPRKYOLFNMXJPP-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658888 745351890 /nfs/dbraw/zinc/35/18/90/745351890.db2.gz VPEMXWOAVYEVJY-HOTGVXAUSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658888 745351894 /nfs/dbraw/zinc/35/18/94/745351894.db2.gz VPEMXWOAVYEVJY-HOTGVXAUSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000978287799 746129152 /nfs/dbraw/zinc/12/91/52/746129152.db2.gz YXTIPACRZBIXIK-FJIDUMEYSA-N 2 1 341.459 0.275 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000978287799 746129153 /nfs/dbraw/zinc/12/91/53/746129153.db2.gz YXTIPACRZBIXIK-FJIDUMEYSA-N 2 1 341.459 0.275 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCn3cccn3)C[C@H]21 ZINC000978287799 746129155 /nfs/dbraw/zinc/12/91/55/746129155.db2.gz YXTIPACRZBIXIK-FJIDUMEYSA-N 2 1 341.459 0.275 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCn3cccn3)C[C@H]21 ZINC000978287799 746129157 /nfs/dbraw/zinc/12/91/57/746129157.db2.gz YXTIPACRZBIXIK-FJIDUMEYSA-N 2 1 341.459 0.275 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]21 ZINC000978278923 746140915 /nfs/dbraw/zinc/14/09/15/746140915.db2.gz FLORYDWNYSCXDO-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000978278923 746140921 /nfs/dbraw/zinc/14/09/21/746140921.db2.gz FLORYDWNYSCXDO-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccnn3C)C[C@H]21 ZINC000978278923 746140924 /nfs/dbraw/zinc/14/09/24/746140924.db2.gz FLORYDWNYSCXDO-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccnn3C)C[C@H]21 ZINC000978278923 746140928 /nfs/dbraw/zinc/14/09/28/746140928.db2.gz FLORYDWNYSCXDO-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361016 752064837 /nfs/dbraw/zinc/06/48/37/752064837.db2.gz NIZJPBGOXJDMGH-AWEZNQCLSA-N 2 1 330.436 0.116 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454550 746393357 /nfs/dbraw/zinc/39/33/57/746393357.db2.gz XTWPMCSGXCQMFX-SJORKVTESA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454550 746393362 /nfs/dbraw/zinc/39/33/62/746393362.db2.gz XTWPMCSGXCQMFX-SJORKVTESA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454550 746393368 /nfs/dbraw/zinc/39/33/68/746393368.db2.gz XTWPMCSGXCQMFX-SJORKVTESA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125378 747006274 /nfs/dbraw/zinc/00/62/74/747006274.db2.gz JJQIWNQALOAPBB-IRXDYDNUSA-N 2 1 348.491 0.553 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985120195 747405068 /nfs/dbraw/zinc/40/50/68/747405068.db2.gz PNJXSAGCADWIEE-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262508994 747934396 /nfs/dbraw/zinc/93/43/96/747934396.db2.gz AVLNBWWWRALWHY-LSDHHAIUSA-N 2 1 339.484 0.225 20 30 ECEDMP C[C@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)N1 ZINC000262671290 749254216 /nfs/dbraw/zinc/25/42/16/749254216.db2.gz RBJRHXDZYDTADF-BBRMVZONSA-N 2 1 329.448 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC000980252810 749258750 /nfs/dbraw/zinc/25/87/50/749258750.db2.gz JGRMKBJSDMLRKB-OKZBNKHCSA-N 2 1 333.476 0.541 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029909345 749560588 /nfs/dbraw/zinc/56/05/88/749560588.db2.gz LKRRVWXDTROIET-NVXWUHKLSA-N 2 1 346.475 0.000 20 30 ECEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981663279 750943716 /nfs/dbraw/zinc/94/37/16/750943716.db2.gz LTBZNZQJBVUHDE-SJORKVTESA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCN1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981663279 750943720 /nfs/dbraw/zinc/94/37/20/750943720.db2.gz LTBZNZQJBVUHDE-SJORKVTESA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001028333246 752401325 /nfs/dbraw/zinc/40/13/25/752401325.db2.gz HMQYMYVVGJOXFX-SJLPKXTDSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H]2CCCNC2=O)CC1 ZINC001028333817 752412516 /nfs/dbraw/zinc/41/25/16/752412516.db2.gz RHQRJYKTFDJKOD-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H]2CCN(C)C2=O)CC1 ZINC001028334039 752413311 /nfs/dbraw/zinc/41/33/11/752413311.db2.gz VCLMCWLYPKNFBQ-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644634 752582694 /nfs/dbraw/zinc/58/26/94/752582694.db2.gz CPIYQHXKNXKFME-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644634 752582704 /nfs/dbraw/zinc/58/27/04/752582704.db2.gz CPIYQHXKNXKFME-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645265 752658759 /nfs/dbraw/zinc/65/87/59/752658759.db2.gz IJUWADRCKDCDFX-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492642 762197498 /nfs/dbraw/zinc/19/74/98/762197498.db2.gz AZJTYGNBJNEYFI-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001028601050 753876649 /nfs/dbraw/zinc/87/66/49/753876649.db2.gz HWWZKVJZCITOEP-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001028601050 753876653 /nfs/dbraw/zinc/87/66/53/753876653.db2.gz HWWZKVJZCITOEP-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001028601050 753876656 /nfs/dbraw/zinc/87/66/56/753876656.db2.gz HWWZKVJZCITOEP-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001028601050 753876661 /nfs/dbraw/zinc/87/66/61/753876661.db2.gz HWWZKVJZCITOEP-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ncnn3C)C[C@@H]2C)CC1 ZINC000989830049 754484411 /nfs/dbraw/zinc/48/44/11/754484411.db2.gz YZZLRQWQIAVGEC-HOCLYGCPSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001098688002 754789445 /nfs/dbraw/zinc/78/94/45/754789445.db2.gz GWPCCYISSPNPJR-MRXNPFEDSA-N 2 1 344.463 0.956 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCO[C@H](COC)C1 ZINC000261929466 755318830 /nfs/dbraw/zinc/31/88/30/755318830.db2.gz LILFMOYMTPRMFC-DZGCQCFKSA-N 2 1 330.498 0.346 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000990570452 755423807 /nfs/dbraw/zinc/42/38/07/755423807.db2.gz OQFPUMMTLJSEOZ-SFHVURJKSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000990570452 755423811 /nfs/dbraw/zinc/42/38/11/755423811.db2.gz OQFPUMMTLJSEOZ-SFHVURJKSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@@H]2C1 ZINC001048869605 757237537 /nfs/dbraw/zinc/23/75/37/757237537.db2.gz AINPHMUDPWAPST-XDNAFOTISA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2C1 ZINC001048869605 757237539 /nfs/dbraw/zinc/23/75/39/757237539.db2.gz AINPHMUDPWAPST-XDNAFOTISA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](CC)OC)C[C@@H]2C1 ZINC001048869605 757237541 /nfs/dbraw/zinc/23/75/41/757237541.db2.gz AINPHMUDPWAPST-XDNAFOTISA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](CC)OC)C[C@@H]2C1 ZINC001048869605 757237545 /nfs/dbraw/zinc/23/75/45/757237545.db2.gz AINPHMUDPWAPST-XDNAFOTISA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2C1 ZINC001048870276 757239103 /nfs/dbraw/zinc/23/91/03/757239103.db2.gz VYUWSEXAWOMCMX-KSZLIROESA-N 2 1 341.459 0.371 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2C1 ZINC001048870276 757239107 /nfs/dbraw/zinc/23/91/07/757239107.db2.gz VYUWSEXAWOMCMX-KSZLIROESA-N 2 1 341.459 0.371 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC001048870276 757239110 /nfs/dbraw/zinc/23/91/10/757239110.db2.gz VYUWSEXAWOMCMX-KSZLIROESA-N 2 1 341.459 0.371 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001048870276 757239113 /nfs/dbraw/zinc/23/91/13/757239113.db2.gz VYUWSEXAWOMCMX-KSZLIROESA-N 2 1 341.459 0.371 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077022542 757963689 /nfs/dbraw/zinc/96/36/89/757963689.db2.gz GQVBJASQYTZKCT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)CC[N@H+]1C ZINC001077022542 757963691 /nfs/dbraw/zinc/96/36/91/757963691.db2.gz GQVBJASQYTZKCT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077022542 757963694 /nfs/dbraw/zinc/96/36/94/757963694.db2.gz GQVBJASQYTZKCT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077022542 757963696 /nfs/dbraw/zinc/96/36/96/757963696.db2.gz GQVBJASQYTZKCT-BNEJOLLZSA-N 2 1 342.443 0.560 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128762 758267601 /nfs/dbraw/zinc/26/76/01/758267601.db2.gz CTLDUFVJUNSXLQ-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128762 758267606 /nfs/dbraw/zinc/26/76/06/758267606.db2.gz CTLDUFVJUNSXLQ-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128762 758267612 /nfs/dbraw/zinc/26/76/12/758267612.db2.gz CTLDUFVJUNSXLQ-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128762 758267615 /nfs/dbraw/zinc/26/76/15/758267615.db2.gz CTLDUFVJUNSXLQ-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001022103450 758280834 /nfs/dbraw/zinc/28/08/34/758280834.db2.gz HWXFPGVVOQYHTJ-IBEHDNSVSA-N 2 1 334.464 0.350 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001022221031 758443233 /nfs/dbraw/zinc/44/32/33/758443233.db2.gz VQQPBFZMHQCODZ-BBWFWOEESA-N 2 1 346.475 0.333 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001022221031 758443238 /nfs/dbraw/zinc/44/32/38/758443238.db2.gz VQQPBFZMHQCODZ-BBWFWOEESA-N 2 1 346.475 0.333 20 30 ECEDMP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777659 758598952 /nfs/dbraw/zinc/59/89/52/758598952.db2.gz APUMDVXBOIBLDX-DLBZAZTESA-N 2 1 328.416 0.627 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780101 758633509 /nfs/dbraw/zinc/63/35/09/758633509.db2.gz VYBATELOAPOMHJ-DLBZAZTESA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780101 758633515 /nfs/dbraw/zinc/63/35/15/758633515.db2.gz VYBATELOAPOMHJ-DLBZAZTESA-N 2 1 346.406 0.766 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611041 758990851 /nfs/dbraw/zinc/99/08/51/758990851.db2.gz NWSCUSZNZKDFAQ-MOXMWUHRSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611041 758990855 /nfs/dbraw/zinc/99/08/55/758990855.db2.gz NWSCUSZNZKDFAQ-MOXMWUHRSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611041 758990860 /nfs/dbraw/zinc/99/08/60/758990860.db2.gz NWSCUSZNZKDFAQ-MOXMWUHRSA-N 2 1 343.471 0.938 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584472 759098118 /nfs/dbraw/zinc/09/81/18/759098118.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 2 1 332.448 0.951 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202076 759929646 /nfs/dbraw/zinc/92/96/46/759929646.db2.gz ISUCNBFQJUYRFY-OKZBNKHCSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202076 759929652 /nfs/dbraw/zinc/92/96/52/759929652.db2.gz ISUCNBFQJUYRFY-OKZBNKHCSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001054296169 767904246 /nfs/dbraw/zinc/90/42/46/767904246.db2.gz HPCFRGFUOHPJFL-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001054296169 767904251 /nfs/dbraw/zinc/90/42/51/767904251.db2.gz HPCFRGFUOHPJFL-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995927674 760791731 /nfs/dbraw/zinc/79/17/31/760791731.db2.gz YRODCAAAQUNZHC-HOTGVXAUSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995927674 760791732 /nfs/dbraw/zinc/79/17/32/760791732.db2.gz YRODCAAAQUNZHC-HOTGVXAUSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CCOCC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168390819 761561086 /nfs/dbraw/zinc/56/10/86/761561086.db2.gz IXACADOCUDXLRG-UHFFFAOYSA-N 2 1 327.469 0.787 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001051254783 761775195 /nfs/dbraw/zinc/77/51/95/761775195.db2.gz LUKXKUIXZQJREL-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001051254783 761775206 /nfs/dbraw/zinc/77/52/06/761775206.db2.gz LUKXKUIXZQJREL-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001046849176 763226276 /nfs/dbraw/zinc/22/62/76/763226276.db2.gz CCQMBZQLCWUADR-CRAIPNDOSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052091347 763832042 /nfs/dbraw/zinc/83/20/42/763832042.db2.gz AQIHYAOLZFCDEX-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)CC1 ZINC001089059209 764915046 /nfs/dbraw/zinc/91/50/46/764915046.db2.gz DMFUKOWOPKIHBH-PBHICJAKSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)CC1 ZINC001089059209 764915053 /nfs/dbraw/zinc/91/50/53/764915053.db2.gz DMFUKOWOPKIHBH-PBHICJAKSA-N 2 1 346.475 0.189 20 30 ECEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627737 764925543 /nfs/dbraw/zinc/92/55/43/764925543.db2.gz VCCDBGYZTRPWQW-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627737 764925549 /nfs/dbraw/zinc/92/55/49/764925549.db2.gz VCCDBGYZTRPWQW-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627737 764925556 /nfs/dbraw/zinc/92/55/56/764925556.db2.gz VCCDBGYZTRPWQW-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627737 764925563 /nfs/dbraw/zinc/92/55/63/764925563.db2.gz VCCDBGYZTRPWQW-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@H]12 ZINC000992310888 766232199 /nfs/dbraw/zinc/23/21/99/766232199.db2.gz NDXUSNRLKPBXHS-FUHWJXTLSA-N 2 1 329.448 0.805 20 30 ECEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)O2 ZINC001053601012 766409604 /nfs/dbraw/zinc/40/96/04/766409604.db2.gz YBVREWOWUZRGEI-DLBZAZTESA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041978 766753771 /nfs/dbraw/zinc/75/37/71/766753771.db2.gz VWZFJESPGWMVKQ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041978 766753773 /nfs/dbraw/zinc/75/37/73/766753773.db2.gz VWZFJESPGWMVKQ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041978 766753774 /nfs/dbraw/zinc/75/37/74/766753774.db2.gz VWZFJESPGWMVKQ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046061987 766831155 /nfs/dbraw/zinc/83/11/55/766831155.db2.gz QBCHVRIERQJRJN-ZWKOTPCHSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031740855 766986252 /nfs/dbraw/zinc/98/62/52/766986252.db2.gz MGWQACUSVSXORM-KRWDZBQOSA-N 2 1 329.448 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031740855 766986260 /nfs/dbraw/zinc/98/62/60/766986260.db2.gz MGWQACUSVSXORM-KRWDZBQOSA-N 2 1 329.448 0.108 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218015 767082962 /nfs/dbraw/zinc/08/29/62/767082962.db2.gz JAXNMSLHMFERFB-PKOBYXMFSA-N 2 1 342.443 0.969 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001046218015 767082968 /nfs/dbraw/zinc/08/29/68/767082968.db2.gz JAXNMSLHMFERFB-PKOBYXMFSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000938821740 767121328 /nfs/dbraw/zinc/12/13/28/767121328.db2.gz UNGSWFVDGHOJOI-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000938821740 767121329 /nfs/dbraw/zinc/12/13/29/767121329.db2.gz UNGSWFVDGHOJOI-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000938821740 767121330 /nfs/dbraw/zinc/12/13/30/767121330.db2.gz UNGSWFVDGHOJOI-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000938821740 767121331 /nfs/dbraw/zinc/12/13/31/767121331.db2.gz UNGSWFVDGHOJOI-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001055539992 769059384 /nfs/dbraw/zinc/05/93/84/769059384.db2.gz GACHKSWHGULKDR-UHFFFAOYSA-N 2 1 338.496 0.991 20 30 ECEDMP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055572295 769148304 /nfs/dbraw/zinc/14/83/04/769148304.db2.gz BXVHCIFCMNJOHK-QGZVFWFLSA-N 2 1 348.491 0.437 20 30 ECEDMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1)[NH+](C)C ZINC001055602001 769232935 /nfs/dbraw/zinc/23/29/35/769232935.db2.gz KXNIHZCXBMKDDU-ZFWWWQNUSA-N 2 1 337.468 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)CC1 ZINC000994500325 770916844 /nfs/dbraw/zinc/91/68/44/770916844.db2.gz RCIMYFMFNJTWBO-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)CC1 ZINC000994500325 770916851 /nfs/dbraw/zinc/91/68/51/770916851.db2.gz RCIMYFMFNJTWBO-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001020144232 772212714 /nfs/dbraw/zinc/21/27/14/772212714.db2.gz WFAZQNFWQXJEIR-LUKYLMHMSA-N 2 1 348.491 0.883 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001020250590 772350570 /nfs/dbraw/zinc/35/05/70/772350570.db2.gz IWXFNTLUFZKCSJ-ULQDDVLXSA-N 2 1 342.443 0.220 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001020250590 772350576 /nfs/dbraw/zinc/35/05/76/772350576.db2.gz IWXFNTLUFZKCSJ-ULQDDVLXSA-N 2 1 342.443 0.220 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685271 776040037 /nfs/dbraw/zinc/04/00/37/776040037.db2.gz GNKPTPOCBAEZAF-IRXDYDNUSA-N 2 1 333.476 0.949 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077549 790526471 /nfs/dbraw/zinc/52/64/71/790526471.db2.gz HVQUNBNOSZWCRD-CVEARBPZSA-N 2 1 344.463 0.682 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)CCC)C1 ZINC001080193433 777533452 /nfs/dbraw/zinc/53/34/52/777533452.db2.gz CDOVEZVTSFFBRS-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001080193433 777533458 /nfs/dbraw/zinc/53/34/58/777533458.db2.gz CDOVEZVTSFFBRS-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001080193433 777533464 /nfs/dbraw/zinc/53/34/64/777533464.db2.gz CDOVEZVTSFFBRS-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001080193433 777533473 /nfs/dbraw/zinc/53/34/73/777533473.db2.gz CDOVEZVTSFFBRS-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273351 780949220 /nfs/dbraw/zinc/94/92/20/780949220.db2.gz AMIUXZRSXSXQSS-OKZBNKHCSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489281 781618886 /nfs/dbraw/zinc/61/88/86/781618886.db2.gz SHEXQPYETFQGPN-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489281 781618887 /nfs/dbraw/zinc/61/88/87/781618887.db2.gz SHEXQPYETFQGPN-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489281 781618888 /nfs/dbraw/zinc/61/88/88/781618888.db2.gz SHEXQPYETFQGPN-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070208850 783660126 /nfs/dbraw/zinc/66/01/26/783660126.db2.gz AFAHBTSDWWMXKG-KFWWJZLASA-N 2 1 341.419 0.580 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070411038 784000475 /nfs/dbraw/zinc/00/04/75/784000475.db2.gz AXTCAHHACCEOEW-IJEWVQPXSA-N 2 1 329.448 0.789 20 30 ECEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001070411038 784000483 /nfs/dbraw/zinc/00/04/83/784000483.db2.gz AXTCAHHACCEOEW-IJEWVQPXSA-N 2 1 329.448 0.789 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001070411038 784000490 /nfs/dbraw/zinc/00/04/90/784000490.db2.gz AXTCAHHACCEOEW-IJEWVQPXSA-N 2 1 329.448 0.789 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001070971633 784274294 /nfs/dbraw/zinc/27/42/94/784274294.db2.gz JNVMNMUDQBMDRL-KRWDZBQOSA-N 2 1 338.496 0.799 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001070971633 784274299 /nfs/dbraw/zinc/27/42/99/784274299.db2.gz JNVMNMUDQBMDRL-KRWDZBQOSA-N 2 1 338.496 0.799 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001071000081 784369964 /nfs/dbraw/zinc/36/99/64/784369964.db2.gz MXRGDKDZZURUJZ-CVEARBPZSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001071000081 784369974 /nfs/dbraw/zinc/36/99/74/784369974.db2.gz MXRGDKDZZURUJZ-CVEARBPZSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001071000081 784369983 /nfs/dbraw/zinc/36/99/83/784369983.db2.gz MXRGDKDZZURUJZ-CVEARBPZSA-N 2 1 336.480 0.411 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645153 784489797 /nfs/dbraw/zinc/48/97/97/784489797.db2.gz LWIHPGGHSRKJPE-ZACQAIPSSA-N 2 1 343.475 0.810 20 30 ECEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840736 790075075 /nfs/dbraw/zinc/07/50/75/790075075.db2.gz MQUIIRASPHIXEW-NVXWUHKLSA-N 2 1 341.459 0.451 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CCc3cnc[nH]3)C2)C1=O ZINC001266598205 836030213 /nfs/dbraw/zinc/03/02/13/836030213.db2.gz NYFCIJBLDYSTFC-RBSFLKMASA-N 2 1 331.420 0.366 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001266599532 836032025 /nfs/dbraw/zinc/03/20/25/836032025.db2.gz NSDZXVHWVWWCSV-JYJNAYRXSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001266599532 836032041 /nfs/dbraw/zinc/03/20/41/836032041.db2.gz NSDZXVHWVWWCSV-JYJNAYRXSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758118 836255068 /nfs/dbraw/zinc/25/50/68/836255068.db2.gz NYUGNGXOMAQGQI-JKSUJKDBSA-N 2 1 336.480 0.294 20 30 ECEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001266880275 836427674 /nfs/dbraw/zinc/42/76/74/836427674.db2.gz HCUQHXQKKMVQFJ-KRWDZBQOSA-N 2 1 337.464 0.329 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001267598196 837906221 /nfs/dbraw/zinc/90/62/21/837906221.db2.gz WGMFAISAVLCUGY-MRXNPFEDSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267598196 837906227 /nfs/dbraw/zinc/90/62/27/837906227.db2.gz WGMFAISAVLCUGY-MRXNPFEDSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267598196 837906232 /nfs/dbraw/zinc/90/62/32/837906232.db2.gz WGMFAISAVLCUGY-MRXNPFEDSA-N 2 1 336.480 0.553 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267733703 838423646 /nfs/dbraw/zinc/42/36/46/838423646.db2.gz ZMFFTUXRIVUFQP-IRXDYDNUSA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267733703 838423651 /nfs/dbraw/zinc/42/36/51/838423651.db2.gz ZMFFTUXRIVUFQP-IRXDYDNUSA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267733703 838423653 /nfs/dbraw/zinc/42/36/53/838423653.db2.gz ZMFFTUXRIVUFQP-IRXDYDNUSA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@@H](CC)C(N)=O)CC1 ZINC001267733703 838423654 /nfs/dbraw/zinc/42/36/54/838423654.db2.gz ZMFFTUXRIVUFQP-IRXDYDNUSA-N 2 1 348.491 0.518 20 30 ECEDMP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025759 839024712 /nfs/dbraw/zinc/02/47/12/839024712.db2.gz KOOATGZVPHRPHJ-DLBZAZTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025759 839024722 /nfs/dbraw/zinc/02/47/22/839024722.db2.gz KOOATGZVPHRPHJ-DLBZAZTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001268041766 839185411 /nfs/dbraw/zinc/18/54/11/839185411.db2.gz DFUHUMDHJCPRMQ-LSDHHAIUSA-N 2 1 336.480 0.647 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000074255592 436118048 /nfs/dbraw/zinc/11/80/48/436118048.db2.gz GGIYIWAAXPOFFN-UHFFFAOYSA-N 2 1 334.508 0.721 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1CCOc2ccccc21 ZINC000088767624 436404785 /nfs/dbraw/zinc/40/47/85/436404785.db2.gz OYGRIKQBBXLQQO-GDBMZVCRSA-N 2 1 331.464 0.921 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000303873688 437156671 /nfs/dbraw/zinc/15/66/71/437156671.db2.gz CROSCYZSBXGWSB-CYBMUJFWSA-N 2 1 325.457 0.853 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000303982229 437157363 /nfs/dbraw/zinc/15/73/63/437157363.db2.gz PYLXPSZOBDRBSJ-LBPRGKRZSA-N 2 1 325.457 0.994 20 30 ECEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)C1 ZINC000267411955 437328063 /nfs/dbraw/zinc/32/80/63/437328063.db2.gz IMLHBUKQOBQKAL-HNNXBMFYSA-N 2 1 329.448 0.951 20 30 ECEDMP CC(=O)Nc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000278695310 437335834 /nfs/dbraw/zinc/33/58/34/437335834.db2.gz JCUDTUXIDDXOMA-UHFFFAOYSA-N 2 1 334.424 0.167 20 30 ECEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000330022421 437445656 /nfs/dbraw/zinc/44/56/56/437445656.db2.gz ZMZYRGRJIKYGPX-UHFFFAOYSA-N 2 1 346.435 0.984 20 30 ECEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000330165831 437463212 /nfs/dbraw/zinc/46/32/12/437463212.db2.gz UVNDLHXNGPPREZ-UKRRQHHQSA-N 2 1 329.514 0.173 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343906656 437691569 /nfs/dbraw/zinc/69/15/69/437691569.db2.gz HPOGRQDRPRAEBI-WMLDXEAASA-N 2 1 348.491 0.742 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343898552 437687030 /nfs/dbraw/zinc/68/70/30/437687030.db2.gz ZNFJSOBQOAVNAF-HOCLYGCPSA-N 2 1 336.480 0.742 20 30 ECEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000591241536 438993541 /nfs/dbraw/zinc/99/35/41/438993541.db2.gz BVTHXIMYEYQSLV-IBGZPJMESA-N 2 1 346.475 0.815 20 30 ECEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000526058926 439236101 /nfs/dbraw/zinc/23/61/01/439236101.db2.gz NXWOYPWCZMOMBW-OAHLLOKOSA-N 2 1 334.464 0.982 20 30 ECEDMP C#CCN1CCN(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000490760767 439296686 /nfs/dbraw/zinc/29/66/86/439296686.db2.gz OWAOJJWIBVNJCU-UHFFFAOYSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000491299100 439365365 /nfs/dbraw/zinc/36/53/65/439365365.db2.gz YGLWZLGJEOXLFF-UHFFFAOYSA-N 2 1 349.523 0.611 20 30 ECEDMP C#CC[N@@H+](C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000491625041 439415428 /nfs/dbraw/zinc/41/54/28/439415428.db2.gz HOIVTQFTSCSHDQ-OAHLLOKOSA-N 2 1 349.479 0.822 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000491661992 439422024 /nfs/dbraw/zinc/42/20/24/439422024.db2.gz GKIRWLKSTJICRQ-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000491661992 439422027 /nfs/dbraw/zinc/42/20/27/439422027.db2.gz GKIRWLKSTJICRQ-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000572842042 439611807 /nfs/dbraw/zinc/61/18/07/439611807.db2.gz OCCJSNUZVAJQEZ-ROUUACIJSA-N 2 1 347.459 0.929 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664018626 440217363 /nfs/dbraw/zinc/21/73/63/440217363.db2.gz ALPUARZXAAPBTG-QGZVFWFLSA-N 2 1 336.480 0.877 20 30 ECEDMP CC(C)[N@@H+]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328893878 546008948 /nfs/dbraw/zinc/00/89/48/546008948.db2.gz UPVPCUQKFGOGMG-UHFFFAOYSA-N 2 1 339.484 0.481 20 30 ECEDMP CC(C)[N@H+]1CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328893878 546008954 /nfs/dbraw/zinc/00/89/54/546008954.db2.gz UPVPCUQKFGOGMG-UHFFFAOYSA-N 2 1 339.484 0.481 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764070347 579570568 /nfs/dbraw/zinc/57/05/68/579570568.db2.gz AARRCEYPXBERGS-SQNIBIBYSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764070347 579570569 /nfs/dbraw/zinc/57/05/69/579570569.db2.gz AARRCEYPXBERGS-SQNIBIBYSA-N 2 1 332.492 0.568 20 30 ECEDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2F)CC1 ZINC000834488181 588902773 /nfs/dbraw/zinc/90/27/73/588902773.db2.gz ABZNWIAXWRYIPX-ZBFHGGJFSA-N 2 1 345.422 0.809 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849595471 589342366 /nfs/dbraw/zinc/34/23/66/589342366.db2.gz HUMJBLNOLOJYAB-IRXDYDNUSA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849595471 589342368 /nfs/dbraw/zinc/34/23/68/589342368.db2.gz HUMJBLNOLOJYAB-IRXDYDNUSA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849595471 589342370 /nfs/dbraw/zinc/34/23/70/589342370.db2.gz HUMJBLNOLOJYAB-IRXDYDNUSA-N 2 1 331.464 0.527 20 30 ECEDMP C[NH+](C)CCN1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884199850 590771811 /nfs/dbraw/zinc/77/18/11/590771811.db2.gz LZUPENRXHJUJTQ-TVRKMHQQSA-N 2 1 347.507 0.516 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367997 591153429 /nfs/dbraw/zinc/15/34/29/591153429.db2.gz ZSZXHCLZIQHWML-HZPDHXFCSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367997 591153433 /nfs/dbraw/zinc/15/34/33/591153433.db2.gz ZSZXHCLZIQHWML-HZPDHXFCSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367997 591153435 /nfs/dbraw/zinc/15/34/35/591153435.db2.gz ZSZXHCLZIQHWML-HZPDHXFCSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367997 591153438 /nfs/dbraw/zinc/15/34/38/591153438.db2.gz ZSZXHCLZIQHWML-HZPDHXFCSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597733 611359189 /nfs/dbraw/zinc/35/91/89/611359189.db2.gz IAQTZPIANZBULW-XMTFNYHQSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597733 611359190 /nfs/dbraw/zinc/35/91/90/611359190.db2.gz IAQTZPIANZBULW-XMTFNYHQSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597733 611359191 /nfs/dbraw/zinc/35/91/91/611359191.db2.gz IAQTZPIANZBULW-XMTFNYHQSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCC)C1)C1CC[NH+](C)CC1 ZINC000931019255 611498745 /nfs/dbraw/zinc/49/87/45/611498745.db2.gz UYDXALGEUPJXGJ-OAHLLOKOSA-N 2 1 334.464 0.143 20 30 ECEDMP C(#CC[N@H+]1CC[C@@H](C2OCCO2)C1)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000931997103 611591883 /nfs/dbraw/zinc/59/18/83/611591883.db2.gz AZVZOHPHWGLSKZ-HZPDHXFCSA-N 2 1 336.432 0.379 20 30 ECEDMP C#CCN1CCC[C@H](NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000919875118 609664684 /nfs/dbraw/zinc/66/46/84/609664684.db2.gz OUWHODDWZRTHHS-HOTGVXAUSA-N 2 1 325.478 0.489 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000939011923 610068169 /nfs/dbraw/zinc/06/81/69/610068169.db2.gz CZGIHWIXJMCMKJ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000939011923 610068170 /nfs/dbraw/zinc/06/81/70/610068170.db2.gz CZGIHWIXJMCMKJ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000939011923 610068171 /nfs/dbraw/zinc/06/81/71/610068171.db2.gz CZGIHWIXJMCMKJ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000939011923 610068172 /nfs/dbraw/zinc/06/81/72/610068172.db2.gz CZGIHWIXJMCMKJ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941433247 610313345 /nfs/dbraw/zinc/31/33/45/610313345.db2.gz SWONTUVMCCLBKX-GOSISDBHSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433247 610313346 /nfs/dbraw/zinc/31/33/46/610313346.db2.gz SWONTUVMCCLBKX-GOSISDBHSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000940962759 610468116 /nfs/dbraw/zinc/46/81/16/610468116.db2.gz WBYHZDQUQGDVKJ-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000941238039 610622336 /nfs/dbraw/zinc/62/23/36/610622336.db2.gz QQSAQSYPFSZQCV-IKGGRYGDSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000941238039 610622338 /nfs/dbraw/zinc/62/23/38/610622338.db2.gz QQSAQSYPFSZQCV-IKGGRYGDSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000951549412 612335982 /nfs/dbraw/zinc/33/59/82/612335982.db2.gz QXRGMDFWBNXUOD-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951549412 612335987 /nfs/dbraw/zinc/33/59/87/612335987.db2.gz QXRGMDFWBNXUOD-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951549412 612335991 /nfs/dbraw/zinc/33/59/91/612335991.db2.gz QXRGMDFWBNXUOD-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951549412 612335994 /nfs/dbraw/zinc/33/59/94/612335994.db2.gz QXRGMDFWBNXUOD-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000954630348 612467362 /nfs/dbraw/zinc/46/73/62/612467362.db2.gz CONFKMNTFCFHLH-HOTGVXAUSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000954630348 612467367 /nfs/dbraw/zinc/46/73/67/612467367.db2.gz CONFKMNTFCFHLH-HOTGVXAUSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235142 735470779 /nfs/dbraw/zinc/47/07/79/735470779.db2.gz PBGPCQAYKKXFGG-DLBZAZTESA-N 2 1 335.448 0.032 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC000969866662 732465069 /nfs/dbraw/zinc/46/50/69/732465069.db2.gz YTDTTXZECYXONK-YJBOKZPZSA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC000969866662 732465071 /nfs/dbraw/zinc/46/50/71/732465071.db2.gz YTDTTXZECYXONK-YJBOKZPZSA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC000969866660 732465342 /nfs/dbraw/zinc/46/53/42/732465342.db2.gz YTDTTXZECYXONK-QAPCUYQASA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC000969866660 732465345 /nfs/dbraw/zinc/46/53/45/732465345.db2.gz YTDTTXZECYXONK-QAPCUYQASA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC(=O)NC)C3)C2)CC1 ZINC001041844772 782326637 /nfs/dbraw/zinc/32/66/37/782326637.db2.gz MUMPKSZWAOFLQN-IBGZPJMESA-N 2 1 346.475 0.002 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398833 751349281 /nfs/dbraw/zinc/34/92/81/751349281.db2.gz GDYVHBVTFFBHOB-RDJZCZTQSA-N 2 1 348.491 0.648 20 30 ECEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640520 737128887 /nfs/dbraw/zinc/12/88/87/737128887.db2.gz HSBQARSQVLJLJL-MRXNPFEDSA-N 2 1 331.464 0.910 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001025814090 739997225 /nfs/dbraw/zinc/99/72/25/739997225.db2.gz QUUGESYFJSSPIV-GFEQUFNTSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001025814090 739997227 /nfs/dbraw/zinc/99/72/27/739997227.db2.gz QUUGESYFJSSPIV-GFEQUFNTSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001025814090 739997233 /nfs/dbraw/zinc/99/72/33/739997233.db2.gz QUUGESYFJSSPIV-GFEQUFNTSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@@H]3CCOC3)C[C@H]21 ZINC001025814090 739997235 /nfs/dbraw/zinc/99/72/35/739997235.db2.gz QUUGESYFJSSPIV-GFEQUFNTSA-N 2 1 345.487 0.947 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006367 790306177 /nfs/dbraw/zinc/30/61/77/790306177.db2.gz SFZFZILYAPGVQD-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006367 790306180 /nfs/dbraw/zinc/30/61/80/790306180.db2.gz SFZFZILYAPGVQD-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006367 790306185 /nfs/dbraw/zinc/30/61/85/790306185.db2.gz SFZFZILYAPGVQD-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006367 790306189 /nfs/dbraw/zinc/30/61/89/790306189.db2.gz SFZFZILYAPGVQD-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075915 741254736 /nfs/dbraw/zinc/25/47/36/741254736.db2.gz ZVLBUNSSFOTHCH-UPJWGTAASA-N 2 1 335.370 0.872 20 30 ECEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075915 741254738 /nfs/dbraw/zinc/25/47/38/741254738.db2.gz ZVLBUNSSFOTHCH-UPJWGTAASA-N 2 1 335.370 0.872 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268278 741610162 /nfs/dbraw/zinc/61/01/62/741610162.db2.gz HUALAGOCTUEUFC-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328382 741818937 /nfs/dbraw/zinc/81/89/37/741818937.db2.gz BUXOTYYVQVELDN-UHFFFAOYSA-N 2 1 346.479 0.752 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328833 741828644 /nfs/dbraw/zinc/82/86/44/741828644.db2.gz YZRVLNMYASCJAV-UHFFFAOYSA-N 2 1 334.468 0.915 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328833 741828649 /nfs/dbraw/zinc/82/86/49/741828649.db2.gz YZRVLNMYASCJAV-UHFFFAOYSA-N 2 1 334.468 0.915 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001026892751 742036466 /nfs/dbraw/zinc/03/64/66/742036466.db2.gz BGXWIUAWLQTCBR-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001026892751 742036469 /nfs/dbraw/zinc/03/64/69/742036469.db2.gz BGXWIUAWLQTCBR-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000997006392 743119409 /nfs/dbraw/zinc/11/94/09/743119409.db2.gz LXCOBIXSGDXQGI-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001029002374 743155326 /nfs/dbraw/zinc/15/53/26/743155326.db2.gz QGOWHRZTCMWVCW-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001029004168 743162455 /nfs/dbraw/zinc/16/24/55/743162455.db2.gz UNCXFTLVBBKWSB-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001029004168 743162459 /nfs/dbraw/zinc/16/24/59/743162459.db2.gz UNCXFTLVBBKWSB-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001029004460 743164953 /nfs/dbraw/zinc/16/49/53/743164953.db2.gz XXYFOSJFRUUGEE-HNNXBMFYSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001029004460 743164955 /nfs/dbraw/zinc/16/49/55/743164955.db2.gz XXYFOSJFRUUGEE-HNNXBMFYSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000997392477 743564948 /nfs/dbraw/zinc/56/49/48/743564948.db2.gz KIALLEJPHNMZIY-INIZCTEOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000997392477 743564955 /nfs/dbraw/zinc/56/49/55/743564955.db2.gz KIALLEJPHNMZIY-INIZCTEOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998921911 744407041 /nfs/dbraw/zinc/40/70/41/744407041.db2.gz AKXPIQROFSQDNH-DQPZFDDXSA-N 2 1 329.448 0.597 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998921911 744407044 /nfs/dbraw/zinc/40/70/44/744407044.db2.gz AKXPIQROFSQDNH-DQPZFDDXSA-N 2 1 329.448 0.597 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985620 745138310 /nfs/dbraw/zinc/13/83/10/745138310.db2.gz CGKOAYPAMXZNHK-SJORKVTESA-N 2 1 344.463 0.669 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985618 745138448 /nfs/dbraw/zinc/13/84/48/745138448.db2.gz CGKOAYPAMXZNHK-IRXDYDNUSA-N 2 1 344.463 0.669 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041342 745220697 /nfs/dbraw/zinc/22/06/97/745220697.db2.gz ANDKXVSLHMZRDJ-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041342 745220701 /nfs/dbraw/zinc/22/07/01/745220701.db2.gz ANDKXVSLHMZRDJ-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041342 745220710 /nfs/dbraw/zinc/22/07/10/745220710.db2.gz ANDKXVSLHMZRDJ-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646730 745332274 /nfs/dbraw/zinc/33/22/74/745332274.db2.gz NFIQXNCMXJFIRG-GJZGRUSLSA-N 2 1 345.447 0.497 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660143 745354091 /nfs/dbraw/zinc/35/40/91/745354091.db2.gz YNXCIQQTQFUONT-CVEARBPZSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660143 745354094 /nfs/dbraw/zinc/35/40/94/745354094.db2.gz YNXCIQQTQFUONT-CVEARBPZSA-N 2 1 346.475 0.047 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC000984047150 745734025 /nfs/dbraw/zinc/73/40/25/745734025.db2.gz HNOMGZNYDPQPPA-LUKYLMHMSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC000980181171 749116917 /nfs/dbraw/zinc/11/69/17/749116917.db2.gz CDHKJTAJSKKMHA-LZLYRXPVSA-N 2 1 343.475 0.908 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C2CC2)C(=O)C1 ZINC000262801452 749782548 /nfs/dbraw/zinc/78/25/48/749782548.db2.gz QZUNGKWXXCIWMV-MRXNPFEDSA-N 2 1 339.509 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1=O ZINC000981341227 750597836 /nfs/dbraw/zinc/59/78/36/750597836.db2.gz XRZALILFKRYGRS-QGZVFWFLSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1=O ZINC000981341227 750597839 /nfs/dbraw/zinc/59/78/39/750597839.db2.gz XRZALILFKRYGRS-QGZVFWFLSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)C1=O ZINC000981341227 750597842 /nfs/dbraw/zinc/59/78/42/750597842.db2.gz XRZALILFKRYGRS-QGZVFWFLSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)C1=O ZINC000981341227 750597845 /nfs/dbraw/zinc/59/78/45/750597845.db2.gz XRZALILFKRYGRS-QGZVFWFLSA-N 2 1 348.491 0.792 20 30 ECEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783756 751104314 /nfs/dbraw/zinc/10/43/14/751104314.db2.gz DOMFJXBNWRBAFW-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981783756 751104320 /nfs/dbraw/zinc/10/43/20/751104320.db2.gz DOMFJXBNWRBAFW-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981783756 751104325 /nfs/dbraw/zinc/10/43/25/751104325.db2.gz DOMFJXBNWRBAFW-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685332 753766807 /nfs/dbraw/zinc/76/68/07/753766807.db2.gz FKISEEJOYSVZNE-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001009631441 755094413 /nfs/dbraw/zinc/09/44/13/755094413.db2.gz YPOXPMFAILGDMX-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001009631441 755094417 /nfs/dbraw/zinc/09/44/17/755094417.db2.gz YPOXPMFAILGDMX-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC000990737001 755801490 /nfs/dbraw/zinc/80/14/90/755801490.db2.gz FVEBHKHBXFENBX-AEFFLSMTSA-N 2 1 329.448 0.805 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC001076604568 756723676 /nfs/dbraw/zinc/72/36/76/756723676.db2.gz MLSHEKAGNSEKHZ-BPQIPLTHSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328856 758301398 /nfs/dbraw/zinc/30/13/98/758301398.db2.gz BAPDZRAZGQZZBL-FRQCXROJSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328856 758301408 /nfs/dbraw/zinc/30/14/08/758301408.db2.gz BAPDZRAZGQZZBL-FRQCXROJSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328856 758301418 /nfs/dbraw/zinc/30/14/18/758301418.db2.gz BAPDZRAZGQZZBL-FRQCXROJSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1=O ZINC000996664071 758385330 /nfs/dbraw/zinc/38/53/30/758385330.db2.gz DPFIEZRORAULNC-QGZVFWFLSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001022221091 758443118 /nfs/dbraw/zinc/44/31/18/758443118.db2.gz XLAHNVMRQPQLPF-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001022221091 758443122 /nfs/dbraw/zinc/44/31/22/758443122.db2.gz XLAHNVMRQPQLPF-BBWFWOEESA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(OC)no2)CC1 ZINC000996684150 758465174 /nfs/dbraw/zinc/46/51/74/758465174.db2.gz GLGTUOQQRAFNLF-INIZCTEOSA-N 2 1 346.431 0.861 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(OC)no2)CC1 ZINC000996684150 758465180 /nfs/dbraw/zinc/46/51/80/758465180.db2.gz GLGTUOQQRAFNLF-INIZCTEOSA-N 2 1 346.431 0.861 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000996684383 758467581 /nfs/dbraw/zinc/46/75/81/758467581.db2.gz JELTZOKXYPBOHB-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000996684383 758467586 /nfs/dbraw/zinc/46/75/86/758467586.db2.gz JELTZOKXYPBOHB-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779977 758630801 /nfs/dbraw/zinc/63/08/01/758630801.db2.gz UPZLRAQSEJYZGH-ROUUACIJSA-N 2 1 345.418 0.746 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780105 758633244 /nfs/dbraw/zinc/63/32/44/758633244.db2.gz VYBATELOAPOMHJ-IRXDYDNUSA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780105 758633246 /nfs/dbraw/zinc/63/32/46/758633246.db2.gz VYBATELOAPOMHJ-IRXDYDNUSA-N 2 1 346.406 0.766 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001022716853 759031301 /nfs/dbraw/zinc/03/13/01/759031301.db2.gz KKSQELUUIJSIER-OWCLPIDISA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781213 759197895 /nfs/dbraw/zinc/19/78/95/759197895.db2.gz KZPHIFDTNUTHGX-IRXDYDNUSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210857 767929982 /nfs/dbraw/zinc/92/99/82/767929982.db2.gz FPVONYBPPUSHAB-BRWVUGGUSA-N 2 1 348.491 0.294 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050526939 760433011 /nfs/dbraw/zinc/43/30/11/760433011.db2.gz VSRHAZZUZCRMRM-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598932 760550949 /nfs/dbraw/zinc/55/09/49/760550949.db2.gz XSLUZPUWJNOXJN-WUJZJPHMSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)COCC[NH+](C)C)CC2)C1 ZINC001105730959 761381755 /nfs/dbraw/zinc/38/17/55/761381755.db2.gz FTROKMSIMVQGFU-UHFFFAOYSA-N 2 1 339.480 0.833 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001046850580 763231860 /nfs/dbraw/zinc/23/18/60/763231860.db2.gz WVDTUPUQLJRTHB-LPHOPBHVSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322426 768147147 /nfs/dbraw/zinc/14/71/47/768147147.db2.gz OKAKLIBXTNKBAT-BZUAXINKSA-N 2 1 336.480 0.457 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035603 763643420 /nfs/dbraw/zinc/64/34/20/763643420.db2.gz FFTTYURPOKMBKV-RTBURBONSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035603 763643426 /nfs/dbraw/zinc/64/34/26/763643426.db2.gz FFTTYURPOKMBKV-RTBURBONSA-N 2 1 346.519 0.816 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463327 764419861 /nfs/dbraw/zinc/41/98/61/764419861.db2.gz CSXDCRLYVFIWAG-MYTOGIIISA-N 2 1 349.475 0.319 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463327 764419865 /nfs/dbraw/zinc/41/98/65/764419865.db2.gz CSXDCRLYVFIWAG-MYTOGIIISA-N 2 1 349.475 0.319 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463327 764419867 /nfs/dbraw/zinc/41/98/67/764419867.db2.gz CSXDCRLYVFIWAG-MYTOGIIISA-N 2 1 349.475 0.319 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780617 764542477 /nfs/dbraw/zinc/54/24/77/764542477.db2.gz DWNNHUILKSHSNW-UAGQMJEPSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780617 764542483 /nfs/dbraw/zinc/54/24/83/764542483.db2.gz DWNNHUILKSHSNW-UAGQMJEPSA-N 2 1 332.448 0.881 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)C1 ZINC001107009720 764654154 /nfs/dbraw/zinc/65/41/54/764654154.db2.gz XOBSAEBIKBNDCF-BRWVUGGUSA-N 2 1 337.464 0.041 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)C1 ZINC001107009720 764654159 /nfs/dbraw/zinc/65/41/59/764654159.db2.gz XOBSAEBIKBNDCF-BRWVUGGUSA-N 2 1 337.464 0.041 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012362 764667407 /nfs/dbraw/zinc/66/74/07/764667407.db2.gz PKCNNMWJYIAFQN-BRWVUGGUSA-N 2 1 339.480 0.594 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012362 764667412 /nfs/dbraw/zinc/66/74/12/764667412.db2.gz PKCNNMWJYIAFQN-BRWVUGGUSA-N 2 1 339.480 0.594 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047561575 764696038 /nfs/dbraw/zinc/69/60/38/764696038.db2.gz MQTWUXZYKQPKMF-HOTGVXAUSA-N 2 1 335.452 0.138 20 30 ECEDMP CN(C(=O)CN1CCCC1)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047628629 764930000 /nfs/dbraw/zinc/93/00/00/764930000.db2.gz ITWHTMFLZFNCJI-ROUUACIJSA-N 2 1 342.443 0.658 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098775307 765014017 /nfs/dbraw/zinc/01/40/17/765014017.db2.gz XUGQSOMPBVYDGS-INIZCTEOSA-N 2 1 332.452 0.506 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335870 766141993 /nfs/dbraw/zinc/14/19/93/766141993.db2.gz GVCGZCKDSKXLHS-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335870 766141995 /nfs/dbraw/zinc/14/19/95/766141995.db2.gz GVCGZCKDSKXLHS-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001031674798 766429608 /nfs/dbraw/zinc/42/96/08/766429608.db2.gz PQTUPFHTNQFOQN-DLBZAZTESA-N 2 1 346.475 0.163 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1=O ZINC001031684661 766457166 /nfs/dbraw/zinc/45/71/66/766457166.db2.gz XKCNONNWXHYYQG-GVDBMIGSSA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001031684661 766457173 /nfs/dbraw/zinc/45/71/73/766457173.db2.gz XKCNONNWXHYYQG-GVDBMIGSSA-N 2 1 348.491 0.552 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)CC1 ZINC001053699877 766618631 /nfs/dbraw/zinc/61/86/31/766618631.db2.gz KFFMGFNUBDFZHS-DOTOQJQBSA-N 2 1 349.475 0.062 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028612 766691656 /nfs/dbraw/zinc/69/16/56/766691656.db2.gz CYHFWBFMCVIWCV-QZTJIDSGSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028612 766691658 /nfs/dbraw/zinc/69/16/58/766691658.db2.gz CYHFWBFMCVIWCV-QZTJIDSGSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028612 766691663 /nfs/dbraw/zinc/69/16/63/766691663.db2.gz CYHFWBFMCVIWCV-QZTJIDSGSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035787 766722728 /nfs/dbraw/zinc/72/27/28/766722728.db2.gz SRMPLMDWDNITSY-MOPGFXCFSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035787 766722731 /nfs/dbraw/zinc/72/27/31/766722731.db2.gz SRMPLMDWDNITSY-MOPGFXCFSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035787 766722734 /nfs/dbraw/zinc/72/27/34/766722734.db2.gz SRMPLMDWDNITSY-MOPGFXCFSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512449 766750155 /nfs/dbraw/zinc/75/01/55/766750155.db2.gz SIKXRKHKQRCRAD-IEBWSBKVSA-N 2 1 333.476 0.827 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001018985766 770483699 /nfs/dbraw/zinc/48/36/99/770483699.db2.gz DKLPJODDDMUQGR-IRXDYDNUSA-N 2 1 344.463 0.183 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001018985766 770483702 /nfs/dbraw/zinc/48/37/02/770483702.db2.gz DKLPJODDDMUQGR-IRXDYDNUSA-N 2 1 344.463 0.183 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685596 776041150 /nfs/dbraw/zinc/04/11/50/776041150.db2.gz JNUWQUKKKHYQHF-DLBZAZTESA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070400163 783968754 /nfs/dbraw/zinc/96/87/54/783968754.db2.gz SJYBQZVXVSNVIB-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400163 783968758 /nfs/dbraw/zinc/96/87/58/783968758.db2.gz SJYBQZVXVSNVIB-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400163 783968766 /nfs/dbraw/zinc/96/87/66/783968766.db2.gz SJYBQZVXVSNVIB-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432857 784057918 /nfs/dbraw/zinc/05/79/18/784057918.db2.gz SLOXLCCZNIYUGS-CQSZACIVSA-N 2 1 327.432 0.544 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001070970597 784269736 /nfs/dbraw/zinc/26/97/36/784269736.db2.gz NHIGACBRHLUBCQ-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001070970597 784269742 /nfs/dbraw/zinc/26/97/42/784269742.db2.gz NHIGACBRHLUBCQ-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001070970597 784269746 /nfs/dbraw/zinc/26/97/46/784269746.db2.gz NHIGACBRHLUBCQ-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001070970597 784269760 /nfs/dbraw/zinc/26/97/60/784269760.db2.gz NHIGACBRHLUBCQ-UHFFFAOYSA-N 2 1 336.480 0.697 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191629 784701501 /nfs/dbraw/zinc/70/15/01/784701501.db2.gz HSQVKWVXDAIPGH-AEFFLSMTSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191629 784701509 /nfs/dbraw/zinc/70/15/09/784701509.db2.gz HSQVKWVXDAIPGH-AEFFLSMTSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCCO2)CC1 ZINC001073899424 787474222 /nfs/dbraw/zinc/47/42/22/787474222.db2.gz STKXWRYHTICKHF-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969246 790257675 /nfs/dbraw/zinc/25/76/75/790257675.db2.gz JUAHOYBSQBJSCL-CVEARBPZSA-N 2 1 344.463 0.824 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267557730 837765504 /nfs/dbraw/zinc/76/55/04/837765504.db2.gz LLRANSNOJGUCCU-HZPDHXFCSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267557730 837765508 /nfs/dbraw/zinc/76/55/08/837765508.db2.gz LLRANSNOJGUCCU-HZPDHXFCSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267557730 837765517 /nfs/dbraw/zinc/76/55/17/837765517.db2.gz LLRANSNOJGUCCU-HZPDHXFCSA-N 2 1 334.464 0.048 20 30 ECEDMP C=CCC[C@@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001266281309 835610089 /nfs/dbraw/zinc/61/00/89/835610089.db2.gz LMXMOYOQYFZIMW-SJORKVTESA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCC[C@@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001266281309 835610091 /nfs/dbraw/zinc/61/00/91/835610091.db2.gz LMXMOYOQYFZIMW-SJORKVTESA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001266297673 835648032 /nfs/dbraw/zinc/64/80/32/835648032.db2.gz RZQDKUOWHOYSPP-KRWDZBQOSA-N 2 1 338.496 0.407 20 30 ECEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266297673 835648039 /nfs/dbraw/zinc/64/80/39/835648039.db2.gz RZQDKUOWHOYSPP-KRWDZBQOSA-N 2 1 338.496 0.407 20 30 ECEDMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N)[NH+](C)C ZINC001266650208 836085009 /nfs/dbraw/zinc/08/50/09/836085009.db2.gz LMWDVMPJNPVZOF-JALIKCBVSA-N 2 1 335.452 0.078 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266853915 836386564 /nfs/dbraw/zinc/38/65/64/836386564.db2.gz WISYPELLGDBECX-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266853915 836386577 /nfs/dbraw/zinc/38/65/77/836386577.db2.gz WISYPELLGDBECX-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266853915 836386587 /nfs/dbraw/zinc/38/65/87/836386587.db2.gz WISYPELLGDBECX-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266853915 836386597 /nfs/dbraw/zinc/38/65/97/836386597.db2.gz WISYPELLGDBECX-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972036 /nfs/dbraw/zinc/97/20/36/836972036.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 1 336.480 0.293 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972047 /nfs/dbraw/zinc/97/20/47/836972047.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 1 336.480 0.293 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267245825 837060961 /nfs/dbraw/zinc/06/09/61/837060961.db2.gz UTBRXOZDGFQDOX-INIZCTEOSA-N 2 1 348.491 0.840 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267245825 837060973 /nfs/dbraw/zinc/06/09/73/837060973.db2.gz UTBRXOZDGFQDOX-INIZCTEOSA-N 2 1 348.491 0.840 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001267615979 838004228 /nfs/dbraw/zinc/00/42/28/838004228.db2.gz YUYJIZOBCTWATG-HZPDHXFCSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001267615979 838004238 /nfs/dbraw/zinc/00/42/38/838004238.db2.gz YUYJIZOBCTWATG-HZPDHXFCSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267659267 838179772 /nfs/dbraw/zinc/17/97/72/838179772.db2.gz YGGPXTJECKJTMK-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267659267 838179778 /nfs/dbraw/zinc/17/97/78/838179778.db2.gz YGGPXTJECKJTMK-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267659267 838179781 /nfs/dbraw/zinc/17/97/81/838179781.db2.gz YGGPXTJECKJTMK-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CC(=O)NC)CC2)CC1 ZINC001267758700 838483380 /nfs/dbraw/zinc/48/33/80/838483380.db2.gz QNONKTAFFCTXOP-UHFFFAOYSA-N 2 1 348.491 0.248 20 30 ECEDMP C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767715 838505786 /nfs/dbraw/zinc/50/57/86/838505786.db2.gz QWJYHRGAOZKGRK-GDBMZVCRSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267767715 838505800 /nfs/dbraw/zinc/50/58/00/838505800.db2.gz QWJYHRGAOZKGRK-GDBMZVCRSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267767715 838505804 /nfs/dbraw/zinc/50/58/04/838505804.db2.gz QWJYHRGAOZKGRK-GDBMZVCRSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767715 838505809 /nfs/dbraw/zinc/50/58/09/838505809.db2.gz QWJYHRGAOZKGRK-GDBMZVCRSA-N 2 1 334.464 0.141 20 30 ECEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267971024 838893178 /nfs/dbraw/zinc/89/31/78/838893178.db2.gz YCYSFBVPIHXWQB-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267971024 838893190 /nfs/dbraw/zinc/89/31/90/838893190.db2.gz YCYSFBVPIHXWQB-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP CNC(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264066369 254513455 /nfs/dbraw/zinc/51/34/55/254513455.db2.gz BJNFDOQVKWNCNZ-UHFFFAOYSA-N 2 1 333.436 0.173 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccc(OC)cc1 ZINC000264095066 276377937 /nfs/dbraw/zinc/37/79/37/276377937.db2.gz MJOBGQBWLZOUOF-HNNXBMFYSA-N 2 1 347.463 0.700 20 30 ECEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000262567946 436938602 /nfs/dbraw/zinc/93/86/02/436938602.db2.gz MILRUZGLEQCZLE-OAHLLOKOSA-N 2 1 343.479 0.658 20 30 ECEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000170906953 436960786 /nfs/dbraw/zinc/96/07/86/436960786.db2.gz DNPJPEQMCKZPDK-OAHLLOKOSA-N 2 1 333.480 0.983 20 30 ECEDMP Cc1cccc(C(=O)NCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264076439 437015546 /nfs/dbraw/zinc/01/55/46/437015546.db2.gz FWZUCXNJEUFRII-UHFFFAOYSA-N 2 1 347.463 0.351 20 30 ECEDMP Cc1ccc2nc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)cn2c1 ZINC000264101799 437016461 /nfs/dbraw/zinc/01/64/61/437016461.db2.gz OHTXYLOVFHQAKE-UHFFFAOYSA-N 2 1 330.436 0.769 20 30 ECEDMP COc1ccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000264113404 437017177 /nfs/dbraw/zinc/01/71/77/437017177.db2.gz RQRKWWGJNLFIQQ-UHFFFAOYSA-N 2 1 349.435 0.595 20 30 ECEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264119970 437017536 /nfs/dbraw/zinc/01/75/36/437017536.db2.gz QTMLXUXRNSQLOH-QGZVFWFLSA-N 2 1 333.480 0.916 20 30 ECEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264077660 437014782 /nfs/dbraw/zinc/01/47/82/437014782.db2.gz HQRDNPRISYIGEK-OAHLLOKOSA-N 2 1 333.480 0.873 20 30 ECEDMP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000329018836 437303911 /nfs/dbraw/zinc/30/39/11/437303911.db2.gz HFBJEZKZBACAIX-GJZGRUSLSA-N 2 1 339.484 0.479 20 30 ECEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000329018836 437303917 /nfs/dbraw/zinc/30/39/17/437303917.db2.gz HFBJEZKZBACAIX-GJZGRUSLSA-N 2 1 339.484 0.479 20 30 ECEDMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CN(C)CCO1)C2 ZINC000329182998 437329594 /nfs/dbraw/zinc/32/95/94/437329594.db2.gz FMGCQIDFDBEMSL-JALIKCBVSA-N 2 1 338.452 0.357 20 30 ECEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000330165829 437463598 /nfs/dbraw/zinc/46/35/98/437463598.db2.gz UVNDLHXNGPPREZ-HIFRSBDPSA-N 2 1 329.514 0.173 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343762958 437650149 /nfs/dbraw/zinc/65/01/49/437650149.db2.gz JDTUXFSLIHWJFU-GOEBONIOSA-N 2 1 336.480 0.694 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367170011 438176542 /nfs/dbraw/zinc/17/65/42/438176542.db2.gz DWJQRQOQWSRMMU-IAGOWNOFSA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367170011 438176545 /nfs/dbraw/zinc/17/65/45/438176545.db2.gz DWJQRQOQWSRMMU-IAGOWNOFSA-N 2 1 335.496 0.706 20 30 ECEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000518171997 438989090 /nfs/dbraw/zinc/98/90/90/438989090.db2.gz LPGPGOIECNMUQW-MOPGFXCFSA-N 2 1 346.475 0.549 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@@H+](C)CCCc2[nH+]ccn2CCC)CC1 ZINC000491619473 439412002 /nfs/dbraw/zinc/41/20/02/439412002.db2.gz FEEJQRGAJNEWBX-UHFFFAOYSA-N 2 1 345.491 0.935 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+](C)CCCc2[nH+]ccn2CCC)CC1 ZINC000491619473 439412005 /nfs/dbraw/zinc/41/20/05/439412005.db2.gz FEEJQRGAJNEWBX-UHFFFAOYSA-N 2 1 345.491 0.935 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673351 439424746 /nfs/dbraw/zinc/42/47/46/439424746.db2.gz IJMXGALIGYKCBD-ZFWWWQNUSA-N 2 1 347.381 0.399 20 30 ECEDMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)n1cnc(C#N)n1 ZINC000619613037 546347903 /nfs/dbraw/zinc/34/79/03/546347903.db2.gz MDMMEXCWGMXQFK-UKRRQHHQSA-N 2 1 345.451 0.338 20 30 ECEDMP C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613037 546347905 /nfs/dbraw/zinc/34/79/05/546347905.db2.gz MDMMEXCWGMXQFK-UKRRQHHQSA-N 2 1 345.451 0.338 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000892851334 586296350 /nfs/dbraw/zinc/29/63/50/586296350.db2.gz GYQRJNGJUWJUDI-UHFFFAOYSA-N 2 1 337.512 0.916 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000875622220 590316481 /nfs/dbraw/zinc/31/64/81/590316481.db2.gz GCBAZUNRGIDVMM-UHFFFAOYSA-N 2 1 338.496 0.941 20 30 ECEDMP CC(C)OCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884225651 590781568 /nfs/dbraw/zinc/78/15/68/590781568.db2.gz ZISQQIKMQBRTPK-PQUAAJSLSA-N 2 1 334.464 0.695 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)C1 ZINC000884327152 590807128 /nfs/dbraw/zinc/80/71/28/590807128.db2.gz LBVBOWGXKAUUTA-GBRKPNRJSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)C1 ZINC000884327152 590807130 /nfs/dbraw/zinc/80/71/30/590807130.db2.gz LBVBOWGXKAUUTA-GBRKPNRJSA-N 2 1 348.447 0.222 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000887679733 590991764 /nfs/dbraw/zinc/99/17/64/590991764.db2.gz HHIVVBYGRMGULT-QGZVFWFLSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000887679733 590991765 /nfs/dbraw/zinc/99/17/65/590991765.db2.gz HHIVVBYGRMGULT-QGZVFWFLSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000890368714 591153543 /nfs/dbraw/zinc/15/35/43/591153543.db2.gz MFURUJQTZYJWRM-SJORKVTESA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000890368714 591153545 /nfs/dbraw/zinc/15/35/45/591153545.db2.gz MFURUJQTZYJWRM-SJORKVTESA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000890371053 591154573 /nfs/dbraw/zinc/15/45/73/591154573.db2.gz LIPFZSRMHFXJDZ-MRXNPFEDSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000890371053 591154576 /nfs/dbraw/zinc/15/45/76/591154576.db2.gz LIPFZSRMHFXJDZ-MRXNPFEDSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000890371053 591154578 /nfs/dbraw/zinc/15/45/78/591154578.db2.gz LIPFZSRMHFXJDZ-MRXNPFEDSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000890371053 591154581 /nfs/dbraw/zinc/15/45/81/591154581.db2.gz LIPFZSRMHFXJDZ-MRXNPFEDSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C1CC[NH+](C)CC1 ZINC000929930050 611368887 /nfs/dbraw/zinc/36/88/87/611368887.db2.gz UZYFNZJUZIGRRI-OAHLLOKOSA-N 2 1 336.480 0.389 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927630557 611620979 /nfs/dbraw/zinc/62/09/79/611620979.db2.gz NULWWGKOVANCNO-KRWDZBQOSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CCN(C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000913997216 609842164 /nfs/dbraw/zinc/84/21/64/609842164.db2.gz JULMRLJDSRXZQJ-UHFFFAOYSA-N 2 1 349.523 0.751 20 30 ECEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1COCCO1 ZINC000912506084 609963044 /nfs/dbraw/zinc/96/30/44/609963044.db2.gz IPHXWAWITGVJMY-HNNXBMFYSA-N 2 1 342.484 0.458 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636592 610422431 /nfs/dbraw/zinc/42/24/31/610422431.db2.gz OBFBCKYADUCGQS-ZWKOTPCHSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239451 610623339 /nfs/dbraw/zinc/62/33/39/610623339.db2.gz OLIJPIQEPCNHLI-DOTOQJQBSA-N 2 1 335.492 0.929 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408612 610722485 /nfs/dbraw/zinc/72/24/85/610722485.db2.gz NBAHOPNMVCUHNJ-ZWKOTPCHSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408612 610722487 /nfs/dbraw/zinc/72/24/87/610722487.db2.gz NBAHOPNMVCUHNJ-ZWKOTPCHSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC000949060415 611834660 /nfs/dbraw/zinc/83/46/60/611834660.db2.gz ARYRVYLRBFFKHL-INIZCTEOSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949060415 611834661 /nfs/dbraw/zinc/83/46/61/611834661.db2.gz ARYRVYLRBFFKHL-INIZCTEOSA-N 2 1 335.448 0.034 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235197 735469275 /nfs/dbraw/zinc/46/92/75/735469275.db2.gz RIYRURMZAHYDBF-DLBZAZTESA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235197 735469276 /nfs/dbraw/zinc/46/92/76/735469276.db2.gz RIYRURMZAHYDBF-DLBZAZTESA-N 2 1 337.464 0.585 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407574 731814782 /nfs/dbraw/zinc/81/47/82/731814782.db2.gz KRNGCEMIOBJCCJ-MYMJJRTCSA-N 2 1 325.840 0.793 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC000969626804 732007957 /nfs/dbraw/zinc/00/79/57/732007957.db2.gz HGJADFPYHKMNCJ-OAGGEKHMSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H](CC)C(N)=O)C2)CC1 ZINC000970919752 734089559 /nfs/dbraw/zinc/08/95/59/734089559.db2.gz FXRWZVMWAWNVRY-CZUORRHYSA-N 2 1 334.464 0.032 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023115205 736510614 /nfs/dbraw/zinc/51/06/14/736510614.db2.gz CTAMURKCGYFQBD-XQQFMLRXSA-N 2 1 346.269 0.853 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023115205 736510619 /nfs/dbraw/zinc/51/06/19/736510619.db2.gz CTAMURKCGYFQBD-XQQFMLRXSA-N 2 1 346.269 0.853 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001023761929 737326716 /nfs/dbraw/zinc/32/67/16/737326716.db2.gz MVLBARDEDFUJEW-HUUCEWRRSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC000972687825 737377820 /nfs/dbraw/zinc/37/78/20/737377820.db2.gz KGUUWJATQQFSGI-FQEVSTJZSA-N 2 1 343.471 0.658 20 30 ECEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC000972687825 737377822 /nfs/dbraw/zinc/37/78/22/737377822.db2.gz KGUUWJATQQFSGI-FQEVSTJZSA-N 2 1 343.471 0.658 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001067466639 737624394 /nfs/dbraw/zinc/62/43/94/737624394.db2.gz ADPFCMHITDQRMK-KRWDZBQOSA-N 2 1 348.491 0.487 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326808 741805720 /nfs/dbraw/zinc/80/57/20/741805720.db2.gz GZMKCSOIWHDXDB-WMLDXEAASA-N 2 1 346.479 0.915 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001026893769 742038276 /nfs/dbraw/zinc/03/82/76/742038276.db2.gz NBUWECPXFZPLBC-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001026893769 742038282 /nfs/dbraw/zinc/03/82/82/742038282.db2.gz NBUWECPXFZPLBC-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001026893520 742038328 /nfs/dbraw/zinc/03/83/28/742038328.db2.gz JFTWENBJVZATOR-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001026893520 742038333 /nfs/dbraw/zinc/03/83/33/742038333.db2.gz JFTWENBJVZATOR-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC001026893871 742038601 /nfs/dbraw/zinc/03/86/01/742038601.db2.gz PGUUOIFYAIYWFX-WBVHZDCISA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC001026893871 742038606 /nfs/dbraw/zinc/03/86/06/742038606.db2.gz PGUUOIFYAIYWFX-WBVHZDCISA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001026893950 742039352 /nfs/dbraw/zinc/03/93/52/742039352.db2.gz RTOQCNXDXKYQMH-HOCLYGCPSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282813 751861399 /nfs/dbraw/zinc/86/13/99/751861399.db2.gz ICEDEUIYYBGQJP-RWQQGDIJSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282813 751861404 /nfs/dbraw/zinc/86/14/04/751861404.db2.gz ICEDEUIYYBGQJP-RWQQGDIJSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282813 751861409 /nfs/dbraw/zinc/86/14/09/751861409.db2.gz ICEDEUIYYBGQJP-RWQQGDIJSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998927119 744409671 /nfs/dbraw/zinc/40/96/71/744409671.db2.gz BSHLHHRWYYEZBT-VJFUWPCTSA-N 2 1 343.475 0.639 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998927119 744409672 /nfs/dbraw/zinc/40/96/72/744409672.db2.gz BSHLHHRWYYEZBT-VJFUWPCTSA-N 2 1 343.475 0.639 20 30 ECEDMP CCc1nsc(N2CCN(C(NC[C@H](C)[NH+](C)C)=[NH+]C)CC2)n1 ZINC000261655067 751931340 /nfs/dbraw/zinc/93/13/40/751931340.db2.gz AJDLKGWPZNZKLT-LBPRGKRZSA-N 2 1 339.513 0.748 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000999373165 744663601 /nfs/dbraw/zinc/66/36/01/744663601.db2.gz FQHITJOCVPVYJN-DOTOQJQBSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000984330198 746292309 /nfs/dbraw/zinc/29/23/09/746292309.db2.gz HNUZGSDXYZLJGC-JYJNAYRXSA-N 2 1 345.447 0.463 20 30 ECEDMP CN(C)C(=O)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C1CCOCC1 ZINC000262251417 746663278 /nfs/dbraw/zinc/66/32/78/746663278.db2.gz CALQAWDCVQBNBC-CQSZACIVSA-N 2 1 337.468 0.026 20 30 ECEDMP CN(C)C(=O)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C1CCOCC1 ZINC000262251417 746663280 /nfs/dbraw/zinc/66/32/80/746663280.db2.gz CALQAWDCVQBNBC-CQSZACIVSA-N 2 1 337.468 0.026 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080883 747271243 /nfs/dbraw/zinc/27/12/43/747271243.db2.gz RDXMUQWARFCSCP-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080883 747271249 /nfs/dbraw/zinc/27/12/49/747271249.db2.gz RDXMUQWARFCSCP-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080883 747271255 /nfs/dbraw/zinc/27/12/55/747271255.db2.gz RDXMUQWARFCSCP-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080883 747271259 /nfs/dbraw/zinc/27/12/59/747271259.db2.gz RDXMUQWARFCSCP-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473359 747402358 /nfs/dbraw/zinc/40/23/58/747402358.db2.gz DZAFRJCQOAUAOM-HZPDHXFCSA-N 2 1 334.464 0.448 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000985123083 747414584 /nfs/dbraw/zinc/41/45/84/747414584.db2.gz KKPBKPQIULJMFH-BZUAXINKSA-N 2 1 345.447 0.463 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001098721688 747623090 /nfs/dbraw/zinc/62/30/90/747623090.db2.gz JDRUGRHZABQEID-MRXNPFEDSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC000980181173 749116582 /nfs/dbraw/zinc/11/65/82/749116582.db2.gz CDHKJTAJSKKMHA-XYJFISCASA-N 2 1 343.475 0.908 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001051348713 761927838 /nfs/dbraw/zinc/92/78/38/761927838.db2.gz DZWFZCUYNKXALB-IXDOHACOSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168145921 749700484 /nfs/dbraw/zinc/70/04/84/749700484.db2.gz BCYSGLCQAIRYKH-HUUCEWRRSA-N 2 1 336.480 0.505 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cncn2C)CC1 ZINC001028333543 752399823 /nfs/dbraw/zinc/39/98/23/752399823.db2.gz NSQXWBZYQAKWNW-KRWDZBQOSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cncn2C)CC1 ZINC001028333543 752399829 /nfs/dbraw/zinc/39/98/29/752399829.db2.gz NSQXWBZYQAKWNW-KRWDZBQOSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001030019189 752630708 /nfs/dbraw/zinc/63/07/08/752630708.db2.gz HPCFRGFUOHPJFL-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001030019189 752630710 /nfs/dbraw/zinc/63/07/10/752630710.db2.gz HPCFRGFUOHPJFL-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982807442 753800895 /nfs/dbraw/zinc/80/08/95/753800895.db2.gz FLZFCIOIYXMKRF-YTQUADARSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982807441 753801191 /nfs/dbraw/zinc/80/11/91/753801191.db2.gz FLZFCIOIYXMKRF-QRQLOZEOSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001028604061 753901354 /nfs/dbraw/zinc/90/13/54/753901354.db2.gz PNEXRWAMQHQNCD-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001028604061 753901361 /nfs/dbraw/zinc/90/13/61/753901361.db2.gz PNEXRWAMQHQNCD-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001028604061 753901366 /nfs/dbraw/zinc/90/13/66/753901366.db2.gz PNEXRWAMQHQNCD-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001028604061 753901382 /nfs/dbraw/zinc/90/13/82/753901382.db2.gz PNEXRWAMQHQNCD-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672646 755786069 /nfs/dbraw/zinc/78/60/69/755786069.db2.gz CHTBPPGVPFTCAN-PSBWJHGTSA-N 2 1 335.492 0.926 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070691 756056265 /nfs/dbraw/zinc/05/62/65/756056265.db2.gz WVAYYPNXACRRIU-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070691 756056269 /nfs/dbraw/zinc/05/62/69/756056269.db2.gz WVAYYPNXACRRIU-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070691 756056276 /nfs/dbraw/zinc/05/62/76/756056276.db2.gz WVAYYPNXACRRIU-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC001076605729 756724656 /nfs/dbraw/zinc/72/46/56/756724656.db2.gz PSJKAWDPLGSCFS-RYQLBKOJSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076605897 756725610 /nfs/dbraw/zinc/72/56/10/756725610.db2.gz YPPZXBBOMIYPOS-NZSAHSFTSA-N 2 1 345.487 0.901 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891624 757314269 /nfs/dbraw/zinc/31/42/69/757314269.db2.gz VBPAVYGBICVIIR-CALCHBBNSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001077124861 758286054 /nfs/dbraw/zinc/28/60/54/758286054.db2.gz GWUDHCGUABERGR-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001077124861 758286056 /nfs/dbraw/zinc/28/60/56/758286056.db2.gz GWUDHCGUABERGR-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001077125378 758290923 /nfs/dbraw/zinc/29/09/23/758290923.db2.gz TZNWKRDRMGTWIO-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001077125378 758290929 /nfs/dbraw/zinc/29/09/29/758290929.db2.gz TZNWKRDRMGTWIO-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](C)CCC ZINC001077125378 758290932 /nfs/dbraw/zinc/29/09/32/758290932.db2.gz TZNWKRDRMGTWIO-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](C)CCC ZINC001077125378 758290939 /nfs/dbraw/zinc/29/09/39/758290939.db2.gz TZNWKRDRMGTWIO-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001022220719 758441068 /nfs/dbraw/zinc/44/10/68/758441068.db2.gz LMLXUCGERRIVDV-NXOAAHMSSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001022220719 758441073 /nfs/dbraw/zinc/44/10/73/758441073.db2.gz LMLXUCGERRIVDV-NXOAAHMSSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000996683365 758464126 /nfs/dbraw/zinc/46/41/26/758464126.db2.gz BXEADPSDFILUCP-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000996683365 758464128 /nfs/dbraw/zinc/46/41/28/758464128.db2.gz BXEADPSDFILUCP-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996685208 758468494 /nfs/dbraw/zinc/46/84/94/758468494.db2.gz NZJYBMLMTAOANF-SFHVURJKSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996685208 758468497 /nfs/dbraw/zinc/46/84/97/758468497.db2.gz NZJYBMLMTAOANF-SFHVURJKSA-N 2 1 343.475 0.907 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049608791 758987805 /nfs/dbraw/zinc/98/78/05/758987805.db2.gz FAXUBPKYKWMOPK-MOXMWUHRSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049608791 758987808 /nfs/dbraw/zinc/98/78/08/758987808.db2.gz FAXUBPKYKWMOPK-MOXMWUHRSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049608791 758987810 /nfs/dbraw/zinc/98/78/10/758987810.db2.gz FAXUBPKYKWMOPK-MOXMWUHRSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001054244937 767861435 /nfs/dbraw/zinc/86/14/35/767861435.db2.gz LLAMZTSVPDOQIA-LJQANCHMSA-N 2 1 333.476 0.638 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC=C)[C@H](C)C1 ZINC001106266426 768035506 /nfs/dbraw/zinc/03/55/06/768035506.db2.gz IYHLTVLKLACROU-KURKYZTESA-N 2 1 333.476 0.971 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC=C)[C@H](C)C1 ZINC001106266426 768035510 /nfs/dbraw/zinc/03/55/10/768035510.db2.gz IYHLTVLKLACROU-KURKYZTESA-N 2 1 333.476 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1 ZINC001106266670 768036258 /nfs/dbraw/zinc/03/62/58/768036258.db2.gz WUCFCCILNMFHDV-ZACQAIPSSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)CC)[C@H](C)C1 ZINC001106266670 768036262 /nfs/dbraw/zinc/03/62/62/768036262.db2.gz WUCFCCILNMFHDV-ZACQAIPSSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001051254091 761772702 /nfs/dbraw/zinc/77/27/02/761772702.db2.gz DUUFAZIRMFQRMD-FUHWJXTLSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001051254091 761772706 /nfs/dbraw/zinc/77/27/06/761772706.db2.gz DUUFAZIRMFQRMD-FUHWJXTLSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046849056 763226886 /nfs/dbraw/zinc/22/68/86/763226886.db2.gz ADPMLSGVSIRRRK-VQIMIIECSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046849054 763227275 /nfs/dbraw/zinc/22/72/75/763227275.db2.gz ADPMLSGVSIRRRK-LPHOPBHVSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850008 763228360 /nfs/dbraw/zinc/22/83/60/763228360.db2.gz NHRKFENCDGKRCA-QFBILLFUSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850005 763229008 /nfs/dbraw/zinc/22/90/08/763229008.db2.gz NHRKFENCDGKRCA-APWZRJJASA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001046850355 763230500 /nfs/dbraw/zinc/23/05/00/763230500.db2.gz SZYCOIXKAKHECT-LJQANCHMSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001046850355 763230510 /nfs/dbraw/zinc/23/05/10/763230510.db2.gz SZYCOIXKAKHECT-LJQANCHMSA-N 2 1 343.475 0.846 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695641 763563584 /nfs/dbraw/zinc/56/35/84/763563584.db2.gz RPMIZGCETKSQLY-JKSUJKDBSA-N 2 1 338.496 0.847 20 30 ECEDMP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001127702912 763612069 /nfs/dbraw/zinc/61/20/69/763612069.db2.gz MPOLNNLGWBITPN-HZPDHXFCSA-N 2 1 344.463 0.560 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035600 763643716 /nfs/dbraw/zinc/64/37/16/763643716.db2.gz FFTTYURPOKMBKV-MOPGFXCFSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035600 763643722 /nfs/dbraw/zinc/64/37/22/763643722.db2.gz FFTTYURPOKMBKV-MOPGFXCFSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604112 763817729 /nfs/dbraw/zinc/81/77/29/763817729.db2.gz TUGMHVDUGWZGLZ-IEBWSBKVSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604112 763817734 /nfs/dbraw/zinc/81/77/34/763817734.db2.gz TUGMHVDUGWZGLZ-IEBWSBKVSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604111 763818103 /nfs/dbraw/zinc/81/81/03/763818103.db2.gz TUGMHVDUGWZGLZ-HKUYNNGSSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941604111 763818112 /nfs/dbraw/zinc/81/81/12/763818112.db2.gz TUGMHVDUGWZGLZ-HKUYNNGSSA-N 2 1 344.503 0.855 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001088983937 764700810 /nfs/dbraw/zinc/70/08/10/764700810.db2.gz XPKKMALROXWTGZ-OWCLPIDISA-N 2 1 346.475 0.448 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001088983937 764700813 /nfs/dbraw/zinc/70/08/13/764700813.db2.gz XPKKMALROXWTGZ-OWCLPIDISA-N 2 1 346.475 0.448 20 30 ECEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572940 764782470 /nfs/dbraw/zinc/78/24/70/764782470.db2.gz RDIZQVREHFYRDC-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572940 764782475 /nfs/dbraw/zinc/78/24/75/764782475.db2.gz RDIZQVREHFYRDC-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052572940 764782484 /nfs/dbraw/zinc/78/24/84/764782484.db2.gz RDIZQVREHFYRDC-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453734 768323528 /nfs/dbraw/zinc/32/35/28/768323528.db2.gz UJZYYVBJZXTETH-QCZOYZIOSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001016335241 766138752 /nfs/dbraw/zinc/13/87/52/766138752.db2.gz CGLAQMXJAKLRFB-KRWDZBQOSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001016335241 766138756 /nfs/dbraw/zinc/13/87/56/766138756.db2.gz CGLAQMXJAKLRFB-KRWDZBQOSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338027 766145692 /nfs/dbraw/zinc/14/56/92/766145692.db2.gz VEBRWLIAVSTWIO-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338027 766145696 /nfs/dbraw/zinc/14/56/96/766145696.db2.gz VEBRWLIAVSTWIO-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046037468 766733485 /nfs/dbraw/zinc/73/34/85/766733485.db2.gz QBCHVRIERQJRJN-MSOLQXFVSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016740841 766827548 /nfs/dbraw/zinc/82/75/48/766827548.db2.gz PKBQQTXOVWFOBB-ZEVUXNIQSA-N 2 1 343.471 0.844 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001046074828 766892965 /nfs/dbraw/zinc/89/29/65/766892965.db2.gz HYZFSQOPDLKIEC-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260296 766925005 /nfs/dbraw/zinc/92/50/05/766925005.db2.gz AYIPGNWUCBUKRN-IAGOWNOFSA-N 2 1 348.491 0.767 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001077566547 767196809 /nfs/dbraw/zinc/19/68/09/767196809.db2.gz FPDJURHLARIXED-OAGGEKHMSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566547 767196810 /nfs/dbraw/zinc/19/68/10/767196810.db2.gz FPDJURHLARIXED-OAGGEKHMSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566547 767196811 /nfs/dbraw/zinc/19/68/11/767196811.db2.gz FPDJURHLARIXED-OAGGEKHMSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566547 767196813 /nfs/dbraw/zinc/19/68/13/767196813.db2.gz FPDJURHLARIXED-OAGGEKHMSA-N 2 1 325.453 0.223 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055632512 769308089 /nfs/dbraw/zinc/30/80/89/769308089.db2.gz WTXGAVQSYHWWQE-IIAWOOMASA-N 2 1 349.479 0.183 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055644965 769333078 /nfs/dbraw/zinc/33/30/78/769333078.db2.gz KFFUTPUOGMCCHQ-HUUCEWRRSA-N 2 1 349.479 0.185 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046927332 770380218 /nfs/dbraw/zinc/38/02/18/770380218.db2.gz XIDWFNMDNOGCHW-KBPBESRZSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046927332 770380227 /nfs/dbraw/zinc/38/02/27/770380227.db2.gz XIDWFNMDNOGCHW-KBPBESRZSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927332 770380239 /nfs/dbraw/zinc/38/02/39/770380239.db2.gz XIDWFNMDNOGCHW-KBPBESRZSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927332 770380251 /nfs/dbraw/zinc/38/02/51/770380251.db2.gz XIDWFNMDNOGCHW-KBPBESRZSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001019152618 770938910 /nfs/dbraw/zinc/93/89/10/770938910.db2.gz CWURBKPKYAHOJW-GJZGRUSLSA-N 2 1 331.420 0.169 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001020144233 772212977 /nfs/dbraw/zinc/21/29/77/772212977.db2.gz WFAZQNFWQXJEIR-QAETUUGQSA-N 2 1 348.491 0.883 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001020250715 772351044 /nfs/dbraw/zinc/35/10/44/772351044.db2.gz MKTLJDWVUDGVRI-MPGHIAIKSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001020250715 772351046 /nfs/dbraw/zinc/35/10/46/772351046.db2.gz MKTLJDWVUDGVRI-MPGHIAIKSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001020250785 772352128 /nfs/dbraw/zinc/35/21/28/772352128.db2.gz QOAVNRWHQYGWDS-JYJNAYRXSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001020250785 772352133 /nfs/dbraw/zinc/35/21/33/772352133.db2.gz QOAVNRWHQYGWDS-JYJNAYRXSA-N 2 1 343.431 0.320 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390661 775526096 /nfs/dbraw/zinc/52/60/96/775526096.db2.gz TVWOXDDWCXVETF-JKSUJKDBSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001045390658 775526223 /nfs/dbraw/zinc/52/62/23/775526223.db2.gz TVWOXDDWCXVETF-CVEARBPZSA-N 2 1 348.491 0.838 20 30 ECEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027199 790375049 /nfs/dbraw/zinc/37/50/49/790375049.db2.gz RLEGVHKEJAGLGB-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP CC#CCN1C[C@@H](NC(=O)CN2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027199 790375058 /nfs/dbraw/zinc/37/50/58/790375058.db2.gz RLEGVHKEJAGLGB-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506555 775713508 /nfs/dbraw/zinc/71/35/08/775713508.db2.gz RKEQKHUSTHQPTQ-WUJZJPHMSA-N 2 1 331.460 0.844 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639937 775946862 /nfs/dbraw/zinc/94/68/62/775946862.db2.gz VPEUWJMTTLVBEG-JKSUJKDBSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001080145097 777462954 /nfs/dbraw/zinc/46/29/54/777462954.db2.gz GLEGHSGWVIFXRB-IRXDYDNUSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001080145097 777462958 /nfs/dbraw/zinc/46/29/58/777462958.db2.gz GLEGHSGWVIFXRB-IRXDYDNUSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079146880 780813102 /nfs/dbraw/zinc/81/31/02/780813102.db2.gz MIJHQIAAWWISMT-IPMKNSEASA-N 2 1 341.455 0.645 20 30 ECEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146880 780813110 /nfs/dbraw/zinc/81/31/10/780813110.db2.gz MIJHQIAAWWISMT-IPMKNSEASA-N 2 1 341.455 0.645 20 30 ECEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146880 780813117 /nfs/dbraw/zinc/81/31/17/780813117.db2.gz MIJHQIAAWWISMT-IPMKNSEASA-N 2 1 341.455 0.645 20 30 ECEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146880 780813127 /nfs/dbraw/zinc/81/31/27/780813127.db2.gz MIJHQIAAWWISMT-IPMKNSEASA-N 2 1 341.455 0.645 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903321 781908225 /nfs/dbraw/zinc/90/82/25/781908225.db2.gz XWNNNYQGEGRBMS-HZPDHXFCSA-N 2 1 327.388 0.618 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903321 781908233 /nfs/dbraw/zinc/90/82/33/781908233.db2.gz XWNNNYQGEGRBMS-HZPDHXFCSA-N 2 1 327.388 0.618 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206141 783655657 /nfs/dbraw/zinc/65/56/57/783655657.db2.gz IOJFYCNMMZAKKN-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070208999 783661363 /nfs/dbraw/zinc/66/13/63/783661363.db2.gz IDINQFBTNJHGPD-KFWWJZLASA-N 2 1 339.403 0.027 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001070211572 783664795 /nfs/dbraw/zinc/66/47/95/783664795.db2.gz PCFDIDRUXLNXOS-IKGGRYGDSA-N 2 1 344.463 0.373 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001070211572 783664799 /nfs/dbraw/zinc/66/47/99/783664799.db2.gz PCFDIDRUXLNXOS-IKGGRYGDSA-N 2 1 344.463 0.373 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212914 783669174 /nfs/dbraw/zinc/66/91/74/783669174.db2.gz XNDQSJVKIROABE-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001070234907 783714153 /nfs/dbraw/zinc/71/41/53/783714153.db2.gz NNEHTASRFCLPII-CABCVRRESA-N 2 1 329.408 0.401 20 30 ECEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382798 783920531 /nfs/dbraw/zinc/92/05/31/783920531.db2.gz RKOFYUFIYWHDLE-JZXOWHBKSA-N 2 1 346.475 0.047 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070434118 784061356 /nfs/dbraw/zinc/06/13/56/784061356.db2.gz MUIJMSQSJFTNCJ-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070434118 784061361 /nfs/dbraw/zinc/06/13/61/784061361.db2.gz MUIJMSQSJFTNCJ-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070434118 784061365 /nfs/dbraw/zinc/06/13/65/784061365.db2.gz MUIJMSQSJFTNCJ-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070434118 784061378 /nfs/dbraw/zinc/06/13/78/784061378.db2.gz MUIJMSQSJFTNCJ-GOEBONIOSA-N 2 1 347.463 0.722 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070434189 784061415 /nfs/dbraw/zinc/06/14/15/784061415.db2.gz OUUXKJHNZBWSOJ-CABCVRRESA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070434189 784061421 /nfs/dbraw/zinc/06/14/21/784061421.db2.gz OUUXKJHNZBWSOJ-CABCVRRESA-N 2 1 329.448 0.790 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070434189 784061429 /nfs/dbraw/zinc/06/14/29/784061429.db2.gz OUUXKJHNZBWSOJ-CABCVRRESA-N 2 1 329.448 0.790 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533827 784238246 /nfs/dbraw/zinc/23/82/46/784238246.db2.gz SCKXFMPSFPGUOZ-HLLBOEOZSA-N 2 1 331.464 0.974 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553642 786358517 /nfs/dbraw/zinc/35/85/17/786358517.db2.gz GGZXUPRMGBXRAV-CVEARBPZSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553642 786358520 /nfs/dbraw/zinc/35/85/20/786358520.db2.gz GGZXUPRMGBXRAV-CVEARBPZSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553642 786358524 /nfs/dbraw/zinc/35/85/24/786358524.db2.gz GGZXUPRMGBXRAV-CVEARBPZSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741964 787098403 /nfs/dbraw/zinc/09/84/03/787098403.db2.gz ZLJSZOYMNKOCBY-SJORKVTESA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741964 787098411 /nfs/dbraw/zinc/09/84/11/787098411.db2.gz ZLJSZOYMNKOCBY-SJORKVTESA-N 2 1 337.464 0.326 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741964 787098422 /nfs/dbraw/zinc/09/84/22/787098422.db2.gz ZLJSZOYMNKOCBY-SJORKVTESA-N 2 1 337.464 0.326 20 30 ECEDMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528403 835944215 /nfs/dbraw/zinc/94/42/15/835944215.db2.gz PAKOPNIKZLHRKN-HOTGVXAUSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528403 835944225 /nfs/dbraw/zinc/94/42/25/835944225.db2.gz PAKOPNIKZLHRKN-HOTGVXAUSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266528403 835944232 /nfs/dbraw/zinc/94/42/32/835944232.db2.gz PAKOPNIKZLHRKN-HOTGVXAUSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266528403 835944238 /nfs/dbraw/zinc/94/42/38/835944238.db2.gz PAKOPNIKZLHRKN-HOTGVXAUSA-N 2 1 349.479 0.186 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266591367 836021915 /nfs/dbraw/zinc/02/19/15/836021915.db2.gz IRRZAZGZFBLLKH-KLHDSHLOSA-N 2 1 336.480 0.787 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](CCNC(=O)C[NH+]2CCCC2)C2CC2)C1=O ZINC001266619513 836057023 /nfs/dbraw/zinc/05/70/23/836057023.db2.gz QROQMADUIFDPQX-INIZCTEOSA-N 2 1 334.464 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CCNC(=O)C[NH+]2CCCC2)C2CC2)C1=O ZINC001266619513 836057037 /nfs/dbraw/zinc/05/70/37/836057037.db2.gz QROQMADUIFDPQX-INIZCTEOSA-N 2 1 334.464 0.450 20 30 ECEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266750349 836240674 /nfs/dbraw/zinc/24/06/74/836240674.db2.gz VGOYNHILMWWBDD-AEFFLSMTSA-N 2 1 333.476 0.806 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266871129 836416487 /nfs/dbraw/zinc/41/64/87/836416487.db2.gz SZFCHXDGASSTOE-JKSUJKDBSA-N 2 1 334.464 0.191 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266980682 836556488 /nfs/dbraw/zinc/55/64/88/836556488.db2.gz BIIXUVUOIOSJQG-ZDUSSCGKSA-N 2 1 342.403 0.277 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001267333115 837215418 /nfs/dbraw/zinc/21/54/18/837215418.db2.gz WPWJJOOLMNCGKP-KRWDZBQOSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001267333115 837215422 /nfs/dbraw/zinc/21/54/22/837215422.db2.gz WPWJJOOLMNCGKP-KRWDZBQOSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001267383192 837310634 /nfs/dbraw/zinc/31/06/34/837310634.db2.gz YJTGDFJSRVOTDX-QGZVFWFLSA-N 2 1 342.443 0.279 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267630122 838087647 /nfs/dbraw/zinc/08/76/47/838087647.db2.gz ZNWHPEQXNAAFCB-INIZCTEOSA-N 2 1 338.496 0.943 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001267630122 838087655 /nfs/dbraw/zinc/08/76/55/838087655.db2.gz ZNWHPEQXNAAFCB-INIZCTEOSA-N 2 1 338.496 0.943 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001267733704 838423724 /nfs/dbraw/zinc/42/37/24/838423724.db2.gz ZMFFTUXRIVUFQP-SJORKVTESA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001267733704 838423728 /nfs/dbraw/zinc/42/37/28/838423728.db2.gz ZMFFTUXRIVUFQP-SJORKVTESA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@H](CC)C(N)=O)CC1 ZINC001267733704 838423734 /nfs/dbraw/zinc/42/37/34/838423734.db2.gz ZMFFTUXRIVUFQP-SJORKVTESA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@H](CC)C(N)=O)CC1 ZINC001267733704 838423740 /nfs/dbraw/zinc/42/37/40/838423740.db2.gz ZMFFTUXRIVUFQP-SJORKVTESA-N 2 1 348.491 0.518 20 30 ECEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001267944736 838832406 /nfs/dbraw/zinc/83/24/06/838832406.db2.gz JWCNGJBCVPFBIH-INIZCTEOSA-N 2 1 349.479 0.329 20 30 ECEDMP C[N@H+]1CC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120489 436405394 /nfs/dbraw/zinc/40/53/94/436405394.db2.gz DPJJEZWPHPPVLD-KGLIPLIRSA-N 2 1 337.468 0.819 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270574326 436674670 /nfs/dbraw/zinc/67/46/70/436674670.db2.gz OECQKLRUMMUDPS-INIZCTEOSA-N 3 1 348.495 0.911 20 30 ECEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262329167 436924510 /nfs/dbraw/zinc/92/45/10/436924510.db2.gz APSILGAQHKHIHM-CYBMUJFWSA-N 2 1 349.435 0.108 20 30 ECEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262533025 436938798 /nfs/dbraw/zinc/93/87/98/436938798.db2.gz IVQXTIDJGFFDCI-CQSZACIVSA-N 2 1 333.436 0.565 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@H]1CCOc2ccccc21 ZINC000262794572 436942048 /nfs/dbraw/zinc/94/20/48/436942048.db2.gz OYGRIKQBBXLQQO-ZBFHGGJFSA-N 2 1 331.464 0.921 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1 ZINC000264106125 437016269 /nfs/dbraw/zinc/01/62/69/437016269.db2.gz PMBMAAHZNWYUFK-GJZGRUSLSA-N 2 1 338.427 0.954 20 30 ECEDMP CNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000264269661 437019389 /nfs/dbraw/zinc/01/93/89/437019389.db2.gz LLVOBDLNPSBOBH-UHFFFAOYSA-N 2 1 347.463 0.306 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000343737502 437642897 /nfs/dbraw/zinc/64/28/97/437642897.db2.gz IUGTVWUXOUQIKS-MRXNPFEDSA-N 2 1 336.480 0.552 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340831185 437748379 /nfs/dbraw/zinc/74/83/79/437748379.db2.gz SYUKZGNKBPDORA-IRXDYDNUSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372331081 438069660 /nfs/dbraw/zinc/06/96/60/438069660.db2.gz NGUKCXFVUUPINH-SOUVJXGZSA-N 2 1 338.452 0.477 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372331081 438069663 /nfs/dbraw/zinc/06/96/63/438069663.db2.gz NGUKCXFVUUPINH-SOUVJXGZSA-N 2 1 338.452 0.477 20 30 ECEDMP CN(CC#CC[N@@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000351328203 438259917 /nfs/dbraw/zinc/25/99/17/438259917.db2.gz NAUZULRSKTXYLR-UHFFFAOYSA-N 2 1 334.464 0.450 20 30 ECEDMP C[NH+](CC#CC[N@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000351328203 438259926 /nfs/dbraw/zinc/25/99/26/438259926.db2.gz NAUZULRSKTXYLR-UHFFFAOYSA-N 2 1 334.464 0.450 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000491304224 439365524 /nfs/dbraw/zinc/36/55/24/439365524.db2.gz FCUHYDORTPVMNP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000491304224 439365528 /nfs/dbraw/zinc/36/55/28/439365528.db2.gz FCUHYDORTPVMNP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000491304224 439365534 /nfs/dbraw/zinc/36/55/34/439365534.db2.gz FCUHYDORTPVMNP-IBGZPJMESA-N 2 1 329.444 0.695 20 30 ECEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491418935 439379248 /nfs/dbraw/zinc/37/92/48/439379248.db2.gz SOXONMXYSUVNEG-INIZCTEOSA-N 2 1 345.443 0.856 20 30 ECEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491418935 439379250 /nfs/dbraw/zinc/37/92/50/439379250.db2.gz SOXONMXYSUVNEG-INIZCTEOSA-N 2 1 345.443 0.856 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735983 439456922 /nfs/dbraw/zinc/45/69/22/439456922.db2.gz CHQLYRVVWYQMIB-XQLPTFJDSA-N 2 1 338.452 0.605 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001041734309 782080046 /nfs/dbraw/zinc/08/00/46/782080046.db2.gz TVGWIBNBBBNJFW-GOSISDBHSA-N 2 1 329.448 0.616 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000647028704 439972870 /nfs/dbraw/zinc/97/28/70/439972870.db2.gz CZFOUVDKXKBGDZ-INIZCTEOSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000732307500 578322984 /nfs/dbraw/zinc/32/29/84/578322984.db2.gz HULATYCAAZNOPP-INIZCTEOSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000732307500 578322985 /nfs/dbraw/zinc/32/29/85/578322985.db2.gz HULATYCAAZNOPP-INIZCTEOSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769313549 579142600 /nfs/dbraw/zinc/14/26/00/579142600.db2.gz HIRFJDWMIDPWNB-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769313549 579142601 /nfs/dbraw/zinc/14/26/01/579142601.db2.gz HIRFJDWMIDPWNB-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000836317868 588929701 /nfs/dbraw/zinc/92/97/01/588929701.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000836317868 588929703 /nfs/dbraw/zinc/92/97/03/588929703.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000836317868 588929704 /nfs/dbraw/zinc/92/97/04/588929704.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000836317868 588929706 /nfs/dbraw/zinc/92/97/06/588929706.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000836317868 588929708 /nfs/dbraw/zinc/92/97/08/588929708.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 2 1 335.496 0.409 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000895666872 586197204 /nfs/dbraw/zinc/19/72/04/586197204.db2.gz UDOKDYJQDFUDFO-HOCLYGCPSA-N 2 1 325.457 0.582 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000895666872 586197205 /nfs/dbraw/zinc/19/72/05/586197205.db2.gz UDOKDYJQDFUDFO-HOCLYGCPSA-N 2 1 325.457 0.582 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC([NH+](CCOC)CCOC)C2)CC1 ZINC000898254591 586410819 /nfs/dbraw/zinc/41/08/19/586410819.db2.gz NYEYHMRIKDOGJZ-UHFFFAOYSA-N 2 1 337.464 0.137 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595470 589342450 /nfs/dbraw/zinc/34/24/50/589342450.db2.gz HUMJBLNOLOJYAB-IAGOWNOFSA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595470 589342451 /nfs/dbraw/zinc/34/24/51/589342451.db2.gz HUMJBLNOLOJYAB-IAGOWNOFSA-N 2 1 331.464 0.527 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849595470 589342453 /nfs/dbraw/zinc/34/24/53/589342453.db2.gz HUMJBLNOLOJYAB-IAGOWNOFSA-N 2 1 331.464 0.527 20 30 ECEDMP COCC[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876875343 590421077 /nfs/dbraw/zinc/42/10/77/590421077.db2.gz SCCHJYJAVRNEPK-GOSISDBHSA-N 2 1 342.443 0.926 20 30 ECEDMP COCC[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876875343 590421079 /nfs/dbraw/zinc/42/10/79/590421079.db2.gz SCCHJYJAVRNEPK-GOSISDBHSA-N 2 1 342.443 0.926 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000890360830 591151071 /nfs/dbraw/zinc/15/10/71/591151071.db2.gz CSMCYXOKFPUKBQ-SJORKVTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000890360830 591151073 /nfs/dbraw/zinc/15/10/73/591151073.db2.gz CSMCYXOKFPUKBQ-SJORKVTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000890371606 591154418 /nfs/dbraw/zinc/15/44/18/591154418.db2.gz ZCHOMGDKTMRIRW-DLBZAZTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000890371606 591154420 /nfs/dbraw/zinc/15/44/20/591154420.db2.gz ZCHOMGDKTMRIRW-DLBZAZTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000930829120 611470361 /nfs/dbraw/zinc/47/03/61/611470361.db2.gz YLUYUHUUFHXXRQ-MRXNPFEDSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000938173859 609486323 /nfs/dbraw/zinc/48/63/23/609486323.db2.gz YOXRLRGTWSKKSH-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000938173859 609486325 /nfs/dbraw/zinc/48/63/25/609486325.db2.gz YOXRLRGTWSKKSH-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000938173859 609486327 /nfs/dbraw/zinc/48/63/27/609486327.db2.gz YOXRLRGTWSKKSH-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000938173859 609486329 /nfs/dbraw/zinc/48/63/29/609486329.db2.gz YOXRLRGTWSKKSH-TWMKSMIVSA-N 2 1 346.475 0.141 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC#CC[NH+](C)C)CC2)CC1 ZINC000913522521 609685740 /nfs/dbraw/zinc/68/57/40/609685740.db2.gz NCPPIYDYBQHNSZ-UHFFFAOYSA-N 3 1 334.508 0.864 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000938756428 609982053 /nfs/dbraw/zinc/98/20/53/609982053.db2.gz PCLWVGZBFRLFBV-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000938756428 609982054 /nfs/dbraw/zinc/98/20/54/609982054.db2.gz PCLWVGZBFRLFBV-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502321 610345544 /nfs/dbraw/zinc/34/55/44/610345544.db2.gz PRTWUJRRVOLCLB-LJQANCHMSA-N 2 1 344.503 0.713 20 30 ECEDMP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083128855 611071609 /nfs/dbraw/zinc/07/16/09/611071609.db2.gz TYIKXRRXMGVQDL-AWEZNQCLSA-N 2 1 345.495 0.949 20 30 ECEDMP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083128855 611071611 /nfs/dbraw/zinc/07/16/11/611071611.db2.gz TYIKXRRXMGVQDL-AWEZNQCLSA-N 2 1 345.495 0.949 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC000949213002 611902170 /nfs/dbraw/zinc/90/21/70/611902170.db2.gz YMQZTRAWLRVAHX-UHFFFAOYSA-N 2 1 349.475 0.425 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000951224005 612088970 /nfs/dbraw/zinc/08/89/70/612088970.db2.gz VWTBATFOYYTSNC-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000951224005 612088973 /nfs/dbraw/zinc/08/89/73/612088973.db2.gz VWTBATFOYYTSNC-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000951241055 612098877 /nfs/dbraw/zinc/09/88/77/612098877.db2.gz MAIKQRFBNIMGNV-BBWFWOEESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000951241055 612098879 /nfs/dbraw/zinc/09/88/79/612098879.db2.gz MAIKQRFBNIMGNV-BBWFWOEESA-N 2 1 348.491 0.531 20 30 ECEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532880 733053752 /nfs/dbraw/zinc/05/37/52/733053752.db2.gz IUUTVFYCOKBNQX-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H](CC)C(N)=O)C2)CC1 ZINC000970919754 734089434 /nfs/dbraw/zinc/08/94/34/734089434.db2.gz FXRWZVMWAWNVRY-XJKSGUPXSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1 ZINC001104306354 734185331 /nfs/dbraw/zinc/18/53/31/734185331.db2.gz ZYUNOCVJDLLALH-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C1 ZINC001104306354 734185333 /nfs/dbraw/zinc/18/53/33/734185333.db2.gz ZYUNOCVJDLLALH-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551827 734740524 /nfs/dbraw/zinc/74/05/24/734740524.db2.gz MHXHEZKWYQYPOU-KSZLIROESA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676608 734940975 /nfs/dbraw/zinc/94/09/75/734940975.db2.gz GBEYKZUTTCBUHY-HZPDHXFCSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000971688266 734949296 /nfs/dbraw/zinc/94/92/96/734949296.db2.gz VKNINEAARIZIEP-DLBZAZTESA-N 2 1 348.491 0.790 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380131 736048220 /nfs/dbraw/zinc/04/82/20/736048220.db2.gz FFHWNVKVRZEZEC-PKOBYXMFSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380131 736048224 /nfs/dbraw/zinc/04/82/24/736048224.db2.gz FFHWNVKVRZEZEC-PKOBYXMFSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227007 782523832 /nfs/dbraw/zinc/52/38/32/782523832.db2.gz DUZLEWQCEVOBRV-RCCFBDPRSA-N 2 1 349.475 0.062 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(CC)n3)C2)CC1 ZINC001023128431 736523653 /nfs/dbraw/zinc/52/36/53/736523653.db2.gz FNCLTYBNFDXAGS-IYBDPMFKSA-N 2 1 344.463 0.380 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640218 737131392 /nfs/dbraw/zinc/13/13/92/737131392.db2.gz AFVXDGSPHUZQEW-INIZCTEOSA-N 2 1 331.464 0.910 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001067464038 737321914 /nfs/dbraw/zinc/32/19/14/737321914.db2.gz WQCWEBZPUHFUSA-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001067464038 737321918 /nfs/dbraw/zinc/32/19/18/737321918.db2.gz WQCWEBZPUHFUSA-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067464038 737321922 /nfs/dbraw/zinc/32/19/22/737321922.db2.gz WQCWEBZPUHFUSA-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067464038 737321924 /nfs/dbraw/zinc/32/19/24/737321924.db2.gz WQCWEBZPUHFUSA-IRXDYDNUSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC000972687829 737377802 /nfs/dbraw/zinc/37/78/02/737377802.db2.gz KGUUWJATQQFSGI-HXUWFJFHSA-N 2 1 343.471 0.658 20 30 ECEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC000972687829 737377805 /nfs/dbraw/zinc/37/78/05/737377805.db2.gz KGUUWJATQQFSGI-HXUWFJFHSA-N 2 1 343.471 0.658 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001024021654 737625983 /nfs/dbraw/zinc/62/59/83/737625983.db2.gz HMJVSQFAUDELPK-CVEARBPZSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001024021654 737625985 /nfs/dbraw/zinc/62/59/85/737625985.db2.gz HMJVSQFAUDELPK-CVEARBPZSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+](CCO)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001098516133 751513669 /nfs/dbraw/zinc/51/36/69/751513669.db2.gz PRZDDDUCVHXJFM-UHFFFAOYSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC[C@@H](C)O4)C[C@H]32)CC1 ZINC001026149315 740425193 /nfs/dbraw/zinc/42/51/93/740425193.db2.gz HGZGKWPKLSMPGI-DBDQLMEASA-N 2 1 345.487 0.946 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268277 741609992 /nfs/dbraw/zinc/60/99/92/741609992.db2.gz HUALAGOCTUEUFC-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276922 741627581 /nfs/dbraw/zinc/62/75/81/741627581.db2.gz YMCHKNALAZYZBR-UHFFFAOYSA-N 2 1 344.463 0.956 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087413236 741926171 /nfs/dbraw/zinc/92/61/71/741926171.db2.gz AEYSFBXFNCEFQW-OKYOBFRVSA-N 2 1 345.487 0.493 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261991709 743308276 /nfs/dbraw/zinc/30/82/76/743308276.db2.gz RKPHBQFDPCQHGZ-BBWFWOEESA-N 2 1 347.511 0.587 20 30 ECEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997691609 743756340 /nfs/dbraw/zinc/75/63/40/743756340.db2.gz KOWHSWZUTLJOBY-GZZPIAKFSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC001027446231 744483259 /nfs/dbraw/zinc/48/32/59/744483259.db2.gz CBQXMFLFMFRHKE-MSOLQXFVSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999390661 744670777 /nfs/dbraw/zinc/67/07/77/744670777.db2.gz GQXDMSZKOQTTHT-MSOLQXFVSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999390661 744670779 /nfs/dbraw/zinc/67/07/79/744670779.db2.gz GQXDMSZKOQTTHT-MSOLQXFVSA-N 2 1 341.459 0.963 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977303525 744847746 /nfs/dbraw/zinc/84/77/46/744847746.db2.gz NKJXSKXRERIOGW-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977303525 744847749 /nfs/dbraw/zinc/84/77/49/744847749.db2.gz NKJXSKXRERIOGW-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3csnn3)C2)CC1 ZINC000999870662 744972378 /nfs/dbraw/zinc/97/23/78/744972378.db2.gz ORWMWDUSZWDWAQ-UHFFFAOYSA-N 2 1 347.488 0.962 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960085 745101488 /nfs/dbraw/zinc/10/14/88/745101488.db2.gz BMGLPOZSFDANOD-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960085 745101492 /nfs/dbraw/zinc/10/14/92/745101492.db2.gz BMGLPOZSFDANOD-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960085 745101494 /nfs/dbraw/zinc/10/14/94/745101494.db2.gz BMGLPOZSFDANOD-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986216 745139819 /nfs/dbraw/zinc/13/98/19/745139819.db2.gz FUCRJRDHBGFTEL-YESZJQIVSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986216 745139820 /nfs/dbraw/zinc/13/98/20/745139820.db2.gz FUCRJRDHBGFTEL-YESZJQIVSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986216 745139824 /nfs/dbraw/zinc/13/98/24/745139824.db2.gz FUCRJRDHBGFTEL-YESZJQIVSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990356 745147655 /nfs/dbraw/zinc/14/76/55/745147655.db2.gz JUSBSQZQNQNMHU-IRXDYDNUSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990356 745147659 /nfs/dbraw/zinc/14/76/59/745147659.db2.gz JUSBSQZQNQNMHU-IRXDYDNUSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990356 745147662 /nfs/dbraw/zinc/14/76/62/745147662.db2.gz JUSBSQZQNQNMHU-IRXDYDNUSA-N 2 1 344.463 0.647 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266322 752000815 /nfs/dbraw/zinc/00/08/15/752000815.db2.gz UGIMZBRYGGLKCL-HZPDHXFCSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266322 752000822 /nfs/dbraw/zinc/00/08/22/752000822.db2.gz UGIMZBRYGGLKCL-HZPDHXFCSA-N 2 1 346.475 0.450 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(C)no3)C[C@H]21 ZINC000978280986 746143582 /nfs/dbraw/zinc/14/35/82/746143582.db2.gz KKIWSRPCTBFBOX-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]21 ZINC000978280986 746143586 /nfs/dbraw/zinc/14/35/86/746143586.db2.gz KKIWSRPCTBFBOX-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)no3)C[C@H]21 ZINC000978280986 746143590 /nfs/dbraw/zinc/14/35/90/746143590.db2.gz KKIWSRPCTBFBOX-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)no3)C[C@H]21 ZINC000978280986 746143594 /nfs/dbraw/zinc/14/35/94/746143594.db2.gz KKIWSRPCTBFBOX-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001001493371 746430991 /nfs/dbraw/zinc/43/09/91/746430991.db2.gz YXGBYDYODACXPM-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001001493371 746430994 /nfs/dbraw/zinc/43/09/94/746430994.db2.gz YXGBYDYODACXPM-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000978954735 746950821 /nfs/dbraw/zinc/95/08/21/746950821.db2.gz XMXJNVCCHBJZBZ-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000978954735 746950825 /nfs/dbraw/zinc/95/08/25/746950825.db2.gz XMXJNVCCHBJZBZ-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000978954735 746950829 /nfs/dbraw/zinc/95/08/29/746950829.db2.gz XMXJNVCCHBJZBZ-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000978954735 746950832 /nfs/dbraw/zinc/95/08/32/746950832.db2.gz XMXJNVCCHBJZBZ-TWMKSMIVSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3csnn3)C2)CC1 ZINC000985154084 747476845 /nfs/dbraw/zinc/47/68/45/747476845.db2.gz CMSJAYWESUUNHA-CTYIDZIISA-N 2 1 347.488 0.868 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051493090 762199641 /nfs/dbraw/zinc/19/96/41/762199641.db2.gz HIUUIAQUSJOQIW-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685181 753763236 /nfs/dbraw/zinc/76/32/36/753763236.db2.gz ASTPHTANERSXCT-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685181 753763242 /nfs/dbraw/zinc/76/32/42/753763242.db2.gz ASTPHTANERSXCT-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989480598 754015924 /nfs/dbraw/zinc/01/59/24/754015924.db2.gz IYJZBQSPIWSXFZ-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480598 754015930 /nfs/dbraw/zinc/01/59/30/754015930.db2.gz IYJZBQSPIWSXFZ-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480598 754015932 /nfs/dbraw/zinc/01/59/32/754015932.db2.gz IYJZBQSPIWSXFZ-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480598 754015939 /nfs/dbraw/zinc/01/59/39/754015939.db2.gz IYJZBQSPIWSXFZ-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP CCOC(=O)C1CCN(C(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]C)CC1 ZINC000088665115 754574728 /nfs/dbraw/zinc/57/47/28/754574728.db2.gz ZTYORFOTFGDJSS-OAHLLOKOSA-N 2 1 339.484 0.083 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218312 754667625 /nfs/dbraw/zinc/66/76/25/754667625.db2.gz BKXUCIZUEYSVGX-CVEARBPZSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218312 754667628 /nfs/dbraw/zinc/66/76/28/754667628.db2.gz BKXUCIZUEYSVGX-CVEARBPZSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC000983324101 755212677 /nfs/dbraw/zinc/21/26/77/755212677.db2.gz ZHXKXVZKOVDZDC-KLHDSHLOSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C[C@@H](C)O2 ZINC001098662795 756340885 /nfs/dbraw/zinc/34/08/85/756340885.db2.gz LYUGWMXIKAKTNH-SJORKVTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C[C@@H](C)O2 ZINC001098662795 756340890 /nfs/dbraw/zinc/34/08/90/756340890.db2.gz LYUGWMXIKAKTNH-SJORKVTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CC1 ZINC001021469406 757484100 /nfs/dbraw/zinc/48/41/00/757484100.db2.gz BFHLDMMOHMCGOL-AYHJJNSGSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001011315078 757491376 /nfs/dbraw/zinc/49/13/76/757491376.db2.gz YABXXDIVCHBUEZ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001011315078 757491380 /nfs/dbraw/zinc/49/13/80/757491380.db2.gz YABXXDIVCHBUEZ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001011315078 757491387 /nfs/dbraw/zinc/49/13/87/757491387.db2.gz YABXXDIVCHBUEZ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001011315078 757491389 /nfs/dbraw/zinc/49/13/89/757491389.db2.gz YABXXDIVCHBUEZ-SJORKVTESA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001051660498 762618930 /nfs/dbraw/zinc/61/89/30/762618930.db2.gz VKNZFRYTUWAZNA-ROUUACIJSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001051660498 762618933 /nfs/dbraw/zinc/61/89/33/762618933.db2.gz VKNZFRYTUWAZNA-ROUUACIJSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC001022220478 758439257 /nfs/dbraw/zinc/43/92/57/758439257.db2.gz GEPFGAPVJSUPST-LZWOXQAQSA-N 2 1 330.436 0.132 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC001022220478 758439264 /nfs/dbraw/zinc/43/92/64/758439264.db2.gz GEPFGAPVJSUPST-LZWOXQAQSA-N 2 1 330.436 0.132 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccn2CC)C1 ZINC001022220577 758441272 /nfs/dbraw/zinc/44/12/72/758441272.db2.gz KJTNCKBYLOEVBS-XHSDSOJGSA-N 2 1 329.448 0.737 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccn2CC)C1 ZINC001022220577 758441275 /nfs/dbraw/zinc/44/12/75/758441275.db2.gz KJTNCKBYLOEVBS-XHSDSOJGSA-N 2 1 329.448 0.737 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022451943 758741537 /nfs/dbraw/zinc/74/15/37/758741537.db2.gz HWXCTVGIXJHQLP-NHGZVPIDSA-N 2 1 325.840 0.839 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484085 758793854 /nfs/dbraw/zinc/79/38/54/758793854.db2.gz DPVKTHSZCLJJOO-IRXDYDNUSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611042 758991153 /nfs/dbraw/zinc/99/11/53/758991153.db2.gz NWSCUSZNZKDFAQ-SYJBPTKTSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611042 758991159 /nfs/dbraw/zinc/99/11/59/758991159.db2.gz NWSCUSZNZKDFAQ-SYJBPTKTSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611042 758991166 /nfs/dbraw/zinc/99/11/66/758991166.db2.gz NWSCUSZNZKDFAQ-SYJBPTKTSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611310 758992777 /nfs/dbraw/zinc/99/27/77/758992777.db2.gz OMSKXWQVTXUGDP-CBYDULDESA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611310 758992784 /nfs/dbraw/zinc/99/27/84/758992784.db2.gz OMSKXWQVTXUGDP-CBYDULDESA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611310 758992790 /nfs/dbraw/zinc/99/27/90/758992790.db2.gz OMSKXWQVTXUGDP-CBYDULDESA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H]3CCN(CC)C3=O)C2)CC1 ZINC001032207511 759644571 /nfs/dbraw/zinc/64/45/71/759644571.db2.gz UYOUICFMFQZHIP-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001048532897 760672418 /nfs/dbraw/zinc/67/24/18/760672418.db2.gz KLUVGWWTXJVQIW-JCECYMMASA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001048532897 760672421 /nfs/dbraw/zinc/67/24/21/760672421.db2.gz KLUVGWWTXJVQIW-JCECYMMASA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)O ZINC001048532897 760672424 /nfs/dbraw/zinc/67/24/24/760672424.db2.gz KLUVGWWTXJVQIW-JCECYMMASA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)O ZINC001048532897 760672429 /nfs/dbraw/zinc/67/24/29/760672429.db2.gz KLUVGWWTXJVQIW-JCECYMMASA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991445125 760974536 /nfs/dbraw/zinc/97/45/36/760974536.db2.gz JHOQJPDXKDNOJP-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991445125 760974543 /nfs/dbraw/zinc/97/45/43/760974543.db2.gz JHOQJPDXKDNOJP-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106272196 768042117 /nfs/dbraw/zinc/04/21/17/768042117.db2.gz UOMSZDDSTCKRDB-BZUAXINKSA-N 2 1 349.479 0.185 20 30 ECEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659929 763143097 /nfs/dbraw/zinc/14/30/97/763143097.db2.gz PEENGUIAMZSCLP-ARFHVFGLSA-N 2 1 338.496 0.846 20 30 ECEDMP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052029055 763625337 /nfs/dbraw/zinc/62/53/37/763625337.db2.gz WVZWADHFIUBQIZ-SJORKVTESA-N 2 1 331.464 0.070 20 30 ECEDMP N#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001052122307 763945976 /nfs/dbraw/zinc/94/59/76/763945976.db2.gz RTTXKYWNSLXWCF-KRWDZBQOSA-N 2 1 333.480 0.604 20 30 ECEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473764 764445405 /nfs/dbraw/zinc/44/54/05/764445405.db2.gz XXFBHZLLNQSXAG-ROUUACIJSA-N 2 1 329.444 0.541 20 30 ECEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473764 764445411 /nfs/dbraw/zinc/44/54/11/764445411.db2.gz XXFBHZLLNQSXAG-ROUUACIJSA-N 2 1 329.444 0.541 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCN2CCOCC2)C1 ZINC001089873324 764480606 /nfs/dbraw/zinc/48/06/06/764480606.db2.gz AHORNQXHOJYDPF-VJANTYMQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089873324 764480613 /nfs/dbraw/zinc/48/06/13/764480613.db2.gz AHORNQXHOJYDPF-VJANTYMQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089873324 764480620 /nfs/dbraw/zinc/48/06/20/764480620.db2.gz AHORNQXHOJYDPF-VJANTYMQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098775310 765013253 /nfs/dbraw/zinc/01/32/53/765013253.db2.gz XUGQSOMPBVYDGS-MRXNPFEDSA-N 2 1 332.452 0.506 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)CC2)CC1 ZINC001052952353 765407243 /nfs/dbraw/zinc/40/72/43/765407243.db2.gz CQJWTIDOYUJRMZ-DLBZAZTESA-N 2 1 348.491 0.566 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](CC(C)C)C3)C2)CC1 ZINC001053540841 766305404 /nfs/dbraw/zinc/30/54/04/766305404.db2.gz IWTPTMLYIRCBSM-UHFFFAOYSA-N 2 1 333.476 0.901 20 30 ECEDMP C=C(C)CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)O2 ZINC001053585743 766376542 /nfs/dbraw/zinc/37/65/42/766376542.db2.gz KIFWPNCZFBBITM-CVEARBPZSA-N 2 1 337.464 0.633 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1=O ZINC001031666919 766392772 /nfs/dbraw/zinc/39/27/72/766392772.db2.gz UAYJGQMHMSRXET-IRXDYDNUSA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666919 766392777 /nfs/dbraw/zinc/39/27/77/766392777.db2.gz UAYJGQMHMSRXET-IRXDYDNUSA-N 2 1 348.491 0.694 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035545 766720840 /nfs/dbraw/zinc/72/08/40/766720840.db2.gz OUJJYHSCWKEPKV-QGZVFWFLSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001046036276 766725024 /nfs/dbraw/zinc/72/50/24/766725024.db2.gz FMKWSWQXOWWJJW-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001046036276 766725029 /nfs/dbraw/zinc/72/50/29/766725029.db2.gz FMKWSWQXOWWJJW-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCC)C2)CC1 ZINC001046036276 766725033 /nfs/dbraw/zinc/72/50/33/766725033.db2.gz FMKWSWQXOWWJJW-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCC)C2)CC1 ZINC001046036276 766725038 /nfs/dbraw/zinc/72/50/38/766725038.db2.gz FMKWSWQXOWWJJW-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001046036379 766727258 /nfs/dbraw/zinc/72/72/58/766727258.db2.gz INBKKCVGWIOUIV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001046036379 766727260 /nfs/dbraw/zinc/72/72/60/766727260.db2.gz INBKKCVGWIOUIV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001046036379 766727263 /nfs/dbraw/zinc/72/72/63/766727263.db2.gz INBKKCVGWIOUIV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](C(C)C)C2)CC1 ZINC001046036379 766727268 /nfs/dbraw/zinc/72/72/68/766727268.db2.gz INBKKCVGWIOUIV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040253 766746762 /nfs/dbraw/zinc/74/67/62/766746762.db2.gz AKQXOFWNWSFHPO-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040253 766746765 /nfs/dbraw/zinc/74/67/65/766746765.db2.gz AKQXOFWNWSFHPO-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040253 766746769 /nfs/dbraw/zinc/74/67/69/766746769.db2.gz AKQXOFWNWSFHPO-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040254 766746822 /nfs/dbraw/zinc/74/68/22/766746822.db2.gz AKQXOFWNWSFHPO-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040254 766746824 /nfs/dbraw/zinc/74/68/24/766746824.db2.gz AKQXOFWNWSFHPO-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040254 766746826 /nfs/dbraw/zinc/74/68/26/766746826.db2.gz AKQXOFWNWSFHPO-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@H](C)O)CC3)CC1 ZINC000992513872 766754427 /nfs/dbraw/zinc/75/44/27/766754427.db2.gz WZZBKRRYXQZGSH-IEZWGBDMSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046057981 766816479 /nfs/dbraw/zinc/81/64/79/766816479.db2.gz BLJWHGWICRHRQD-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)CO2 ZINC001053804177 766891681 /nfs/dbraw/zinc/89/16/81/766891681.db2.gz MSHJPMRVLVCIMM-HNNXBMFYSA-N 2 1 347.463 0.594 20 30 ECEDMP C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081661 766920153 /nfs/dbraw/zinc/92/01/53/766920153.db2.gz HSRAJHRRJDHBDO-HZPDHXFCSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081661 766920151 /nfs/dbraw/zinc/92/01/51/766920151.db2.gz HSRAJHRRJDHBDO-HZPDHXFCSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081661 766920152 /nfs/dbraw/zinc/92/01/52/766920152.db2.gz HSRAJHRRJDHBDO-HZPDHXFCSA-N 2 1 340.899 0.909 20 30 ECEDMP C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081661 766920154 /nfs/dbraw/zinc/92/01/54/766920154.db2.gz HSRAJHRRJDHBDO-HZPDHXFCSA-N 2 1 340.899 0.909 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085815 766927647 /nfs/dbraw/zinc/92/76/47/766927647.db2.gz RMUNQHSHGOHHNE-OALUTQOASA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106907945 767104909 /nfs/dbraw/zinc/10/49/09/767104909.db2.gz JRIRWNJZRQZJAS-BZUAXINKSA-N 2 1 336.480 0.150 20 30 ECEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168691 767765054 /nfs/dbraw/zinc/76/50/54/767765054.db2.gz GZZZUWDATWUMDQ-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168691 767765060 /nfs/dbraw/zinc/76/50/60/767765060.db2.gz GZZZUWDATWUMDQ-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168691 767765065 /nfs/dbraw/zinc/76/50/65/767765065.db2.gz GZZZUWDATWUMDQ-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357098 768465034 /nfs/dbraw/zinc/46/50/34/768465034.db2.gz RMZPERLRUJHFAD-OAHLLOKOSA-N 2 1 336.480 0.649 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055592528 769202876 /nfs/dbraw/zinc/20/28/76/769202876.db2.gz SJTQEWWGPRXXPV-CQSZACIVSA-N 2 1 349.479 0.327 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055630917 769302566 /nfs/dbraw/zinc/30/25/66/769302566.db2.gz AHKHQUMPEATLFY-AWEZNQCLSA-N 2 1 337.468 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nonc2C)CC1 ZINC001045321417 775409687 /nfs/dbraw/zinc/40/96/87/775409687.db2.gz PJZDFLGYCCVBAE-INIZCTEOSA-N 2 1 345.447 0.804 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001045684778 776038557 /nfs/dbraw/zinc/03/85/57/776038557.db2.gz BIGFYSAWVJFWIJ-DLBZAZTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001045684778 776038565 /nfs/dbraw/zinc/03/85/65/776038565.db2.gz BIGFYSAWVJFWIJ-DLBZAZTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCOC)[C@H]3C2)CC1 ZINC001042369695 780159085 /nfs/dbraw/zinc/15/90/85/780159085.db2.gz ZZGZCRVYXHITNZ-WMZOPIPTSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079251015 780923383 /nfs/dbraw/zinc/92/33/83/780923383.db2.gz AGBQMAVREKFUEP-DLBZAZTESA-N 2 1 342.443 0.764 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489279 781618450 /nfs/dbraw/zinc/61/84/50/781618450.db2.gz SHEXQPYETFQGPN-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489279 781618453 /nfs/dbraw/zinc/61/84/53/781618453.db2.gz SHEXQPYETFQGPN-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489279 781618458 /nfs/dbraw/zinc/61/84/58/781618458.db2.gz SHEXQPYETFQGPN-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258466 783757043 /nfs/dbraw/zinc/75/70/43/783757043.db2.gz WHXOHRNEQYQBFV-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403225 783977066 /nfs/dbraw/zinc/97/70/66/783977066.db2.gz NXCOWRWEICJBGS-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403225 783977075 /nfs/dbraw/zinc/97/70/75/783977075.db2.gz NXCOWRWEICJBGS-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403225 783977083 /nfs/dbraw/zinc/97/70/83/783977083.db2.gz NXCOWRWEICJBGS-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403225 783977092 /nfs/dbraw/zinc/97/70/92/783977092.db2.gz NXCOWRWEICJBGS-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001071047031 784477670 /nfs/dbraw/zinc/47/76/70/784477670.db2.gz WBNSUHPWAGOCJP-ZACQAIPSSA-N 2 1 337.464 0.489 20 30 ECEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001071047031 784477678 /nfs/dbraw/zinc/47/76/78/784477678.db2.gz WBNSUHPWAGOCJP-ZACQAIPSSA-N 2 1 337.464 0.489 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070660421 784515894 /nfs/dbraw/zinc/51/58/94/784515894.db2.gz DFQMMXUMNUIWMZ-OAGGEKHMSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191632 784702071 /nfs/dbraw/zinc/70/20/71/784702071.db2.gz HSQVKWVXDAIPGH-WMZOPIPTSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191632 784702075 /nfs/dbraw/zinc/70/20/75/784702075.db2.gz HSQVKWVXDAIPGH-WMZOPIPTSA-N 2 1 330.432 0.907 20 30 ECEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813496 788868158 /nfs/dbraw/zinc/86/81/58/788868158.db2.gz UGEZNXZEMCVROY-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813496 788868168 /nfs/dbraw/zinc/86/81/68/788868168.db2.gz UGEZNXZEMCVROY-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC001072822484 788889045 /nfs/dbraw/zinc/88/90/45/788889045.db2.gz JDBZKNDDCWBPRO-KRWDZBQOSA-N 2 1 341.459 0.552 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC001072822484 788889057 /nfs/dbraw/zinc/88/90/57/788889057.db2.gz JDBZKNDDCWBPRO-KRWDZBQOSA-N 2 1 341.459 0.552 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnn(C)c1)C2 ZINC001072822484 788889070 /nfs/dbraw/zinc/88/90/70/788889070.db2.gz JDBZKNDDCWBPRO-KRWDZBQOSA-N 2 1 341.459 0.552 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnn(C)c1)C2 ZINC001072822484 788889083 /nfs/dbraw/zinc/88/90/83/788889083.db2.gz JDBZKNDDCWBPRO-KRWDZBQOSA-N 2 1 341.459 0.552 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955978 790238191 /nfs/dbraw/zinc/23/81/91/790238191.db2.gz WFGNBCQDZXSABG-CVEARBPZSA-N 2 1 344.463 0.682 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955978 790238195 /nfs/dbraw/zinc/23/81/95/790238195.db2.gz WFGNBCQDZXSABG-CVEARBPZSA-N 2 1 344.463 0.682 20 30 ECEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCOCC1 ZINC001267441076 837420690 /nfs/dbraw/zinc/42/06/90/837420690.db2.gz KRVOHMDFYDIJQM-UHFFFAOYSA-N 2 1 330.432 0.829 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267548369 837745060 /nfs/dbraw/zinc/74/50/60/837745060.db2.gz DPJQGDPZBCCVDV-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267548369 837745068 /nfs/dbraw/zinc/74/50/68/837745068.db2.gz DPJQGDPZBCCVDV-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267548369 837745074 /nfs/dbraw/zinc/74/50/74/837745074.db2.gz DPJQGDPZBCCVDV-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267548369 837745078 /nfs/dbraw/zinc/74/50/78/837745078.db2.gz DPJQGDPZBCCVDV-HOTGVXAUSA-N 2 1 334.464 0.000 20 30 ECEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557597 837766209 /nfs/dbraw/zinc/76/62/09/837766209.db2.gz IXEZDMZWZLMLMZ-HOTGVXAUSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@H]1CCC(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557597 837766217 /nfs/dbraw/zinc/76/62/17/837766217.db2.gz IXEZDMZWZLMLMZ-HOTGVXAUSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@H]1CCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557597 837766224 /nfs/dbraw/zinc/76/62/24/837766224.db2.gz IXEZDMZWZLMLMZ-HOTGVXAUSA-N 2 1 349.479 0.329 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267565499 837781574 /nfs/dbraw/zinc/78/15/74/837781574.db2.gz NYQQJOITFFRELM-JKSUJKDBSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267565499 837781582 /nfs/dbraw/zinc/78/15/82/837781582.db2.gz NYQQJOITFFRELM-JKSUJKDBSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267565499 837781588 /nfs/dbraw/zinc/78/15/88/837781588.db2.gz NYQQJOITFFRELM-JKSUJKDBSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326057 835704316 /nfs/dbraw/zinc/70/43/16/835704316.db2.gz XDVRTURILJGYFJ-HZPDHXFCSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326057 835704319 /nfs/dbraw/zinc/70/43/19/835704319.db2.gz XDVRTURILJGYFJ-HZPDHXFCSA-N 2 1 348.491 0.744 20 30 ECEDMP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001279371581 835725378 /nfs/dbraw/zinc/72/53/78/835725378.db2.gz RKPLSPFMGWFXEO-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001279371581 835725380 /nfs/dbraw/zinc/72/53/80/835725380.db2.gz RKPLSPFMGWFXEO-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001279371581 835725384 /nfs/dbraw/zinc/72/53/84/835725384.db2.gz RKPLSPFMGWFXEO-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001266731008 836210891 /nfs/dbraw/zinc/21/08/91/836210891.db2.gz NTDFVJIDEYNLQB-HOTGVXAUSA-N 2 1 336.480 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001266731008 836210895 /nfs/dbraw/zinc/21/08/95/836210895.db2.gz NTDFVJIDEYNLQB-HOTGVXAUSA-N 2 1 336.480 0.389 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266901033 836453785 /nfs/dbraw/zinc/45/37/85/836453785.db2.gz IIUNMSZKWHYZLW-ZOFXXKQRSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266901033 836453787 /nfs/dbraw/zinc/45/37/87/836453787.db2.gz IIUNMSZKWHYZLW-ZOFXXKQRSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266901033 836453793 /nfs/dbraw/zinc/45/37/93/836453793.db2.gz IIUNMSZKWHYZLW-ZOFXXKQRSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@H]2CCNC(=O)CC2)CC1 ZINC001267233069 837038316 /nfs/dbraw/zinc/03/83/16/837038316.db2.gz PYHOTXQCQBVRFZ-MRXNPFEDSA-N 2 1 348.491 0.296 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001267729487 838414288 /nfs/dbraw/zinc/41/42/88/838414288.db2.gz YDRJGLWTFHCIBW-GJZGRUSLSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001267729487 838414290 /nfs/dbraw/zinc/41/42/90/838414290.db2.gz YDRJGLWTFHCIBW-GJZGRUSLSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](N(CC)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001267790970 838570657 /nfs/dbraw/zinc/57/06/57/838570657.db2.gz UDAHUVXEKKYWIO-DLBZAZTESA-N 2 1 348.491 0.792 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC001267938015 838822693 /nfs/dbraw/zinc/82/26/93/838822693.db2.gz HJGHOJKMLRMEDL-YOEHRIQHSA-N 2 1 342.443 0.364 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC001267938015 838822701 /nfs/dbraw/zinc/82/27/01/838822701.db2.gz HJGHOJKMLRMEDL-YOEHRIQHSA-N 2 1 342.443 0.364 20 30 ECEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001267944737 838832113 /nfs/dbraw/zinc/83/21/13/838832113.db2.gz JWCNGJBCVPFBIH-MRXNPFEDSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261800718 436890428 /nfs/dbraw/zinc/89/04/28/436890428.db2.gz RSXINKZDPOKWMR-ZDUSSCGKSA-N 2 1 347.467 0.127 20 30 ECEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264106862 437016745 /nfs/dbraw/zinc/01/67/45/437016745.db2.gz PUULFQANZRXPBU-UHFFFAOYSA-N 2 1 328.424 0.509 20 30 ECEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264119964 437016915 /nfs/dbraw/zinc/01/69/15/437016915.db2.gz QTMLXUXRNSQLOH-KRWDZBQOSA-N 2 1 333.480 0.916 20 30 ECEDMP COC[C@H](C)NC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264096021 437017141 /nfs/dbraw/zinc/01/71/41/437017141.db2.gz MSPDRXWLOBJUJG-HNNXBMFYSA-N 2 1 334.468 0.533 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCc2ccccc21 ZINC000264305574 437019103 /nfs/dbraw/zinc/01/91/03/437019103.db2.gz SUODRVFWNBCUOS-UHFFFAOYSA-N 2 1 345.447 0.202 20 30 ECEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000174723514 437084182 /nfs/dbraw/zinc/08/41/82/437084182.db2.gz LWEOAWWZRSWMDQ-UHFFFAOYSA-N 2 1 335.496 0.898 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCCCC1 ZINC000174723514 437084184 /nfs/dbraw/zinc/08/41/84/437084184.db2.gz LWEOAWWZRSWMDQ-UHFFFAOYSA-N 2 1 335.496 0.898 20 30 ECEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329314586 437351195 /nfs/dbraw/zinc/35/11/95/437351195.db2.gz RTYJYYBGUIIKKG-CQSZACIVSA-N 2 1 337.468 0.279 20 30 ECEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329314586 437351201 /nfs/dbraw/zinc/35/12/01/437351201.db2.gz RTYJYYBGUIIKKG-CQSZACIVSA-N 2 1 337.468 0.279 20 30 ECEDMP CN(C)C1CN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1 ZINC000329405473 437364477 /nfs/dbraw/zinc/36/44/77/437364477.db2.gz CNSLZNQVJAMPHG-UHFFFAOYSA-N 2 1 346.435 0.261 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000343733551 437641445 /nfs/dbraw/zinc/64/14/45/437641445.db2.gz XDSBHZKUULLAGB-ALOPSCKCSA-N 2 1 348.491 0.885 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000343778337 437656867 /nfs/dbraw/zinc/65/68/67/437656867.db2.gz KGJOBBSSQXQCIQ-HUUCEWRRSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000343778337 437656872 /nfs/dbraw/zinc/65/68/72/437656872.db2.gz KGJOBBSSQXQCIQ-HUUCEWRRSA-N 2 1 336.480 0.694 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000343908234 437690081 /nfs/dbraw/zinc/69/00/81/437690081.db2.gz IUMVRSZRYKUBPU-HNNXBMFYSA-N 2 1 336.480 0.696 20 30 ECEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000331134570 437694721 /nfs/dbraw/zinc/69/47/21/437694721.db2.gz CLVVDXAUWGOQMX-AWEZNQCLSA-N 2 1 339.484 0.337 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350203206 438202962 /nfs/dbraw/zinc/20/29/62/438202962.db2.gz FPLOBCCOEIANHE-CQSZACIVSA-N 2 1 326.441 0.431 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350203206 438202966 /nfs/dbraw/zinc/20/29/66/438202966.db2.gz FPLOBCCOEIANHE-CQSZACIVSA-N 2 1 326.441 0.431 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640213 438315497 /nfs/dbraw/zinc/31/54/97/438315497.db2.gz MICBGXRGDJCHNP-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000491231681 439354336 /nfs/dbraw/zinc/35/43/36/439354336.db2.gz VJUWYJGXPMFDOJ-UHFFFAOYSA-N 2 1 343.475 0.665 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000491660207 439422456 /nfs/dbraw/zinc/42/24/56/439422456.db2.gz NXCACXZCCAAVLT-INIZCTEOSA-N 2 1 336.480 0.742 20 30 ECEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740623 439697168 /nfs/dbraw/zinc/69/71/68/439697168.db2.gz ZNRLDFPQEUZTCS-JKSUJKDBSA-N 2 1 325.453 0.494 20 30 ECEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710989 439853723 /nfs/dbraw/zinc/85/37/23/439853723.db2.gz KPZGVHRJXXJESM-CRAIPNDOSA-N 2 1 336.480 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000730278588 578304482 /nfs/dbraw/zinc/30/44/82/578304482.db2.gz OWQIQPZDTVTDJG-INIZCTEOSA-N 2 1 335.448 0.475 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000730278588 578304483 /nfs/dbraw/zinc/30/44/83/578304483.db2.gz OWQIQPZDTVTDJG-INIZCTEOSA-N 2 1 335.448 0.475 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000900100201 586524010 /nfs/dbraw/zinc/52/40/10/586524010.db2.gz ALGIABPDSLGFNG-UHFFFAOYSA-N 2 1 346.479 0.613 20 30 ECEDMP C=CCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903754767 586811555 /nfs/dbraw/zinc/81/15/55/586811555.db2.gz PVRHLBAPOYWGQU-IYBDPMFKSA-N 2 1 334.464 0.448 20 30 ECEDMP C=CCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903754767 586811557 /nfs/dbraw/zinc/81/15/57/586811557.db2.gz PVRHLBAPOYWGQU-IYBDPMFKSA-N 2 1 334.464 0.448 20 30 ECEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000818970691 587462589 /nfs/dbraw/zinc/46/25/89/587462589.db2.gz PINNSSFWIJAXJH-MRXNPFEDSA-N 2 1 328.420 0.872 20 30 ECEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884235026 590784960 /nfs/dbraw/zinc/78/49/60/590784960.db2.gz KYERADFXRZUJGS-SDDULXJBSA-N 2 1 347.507 0.516 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000890371115 591155083 /nfs/dbraw/zinc/15/50/83/591155083.db2.gz MSKBXPXAQJXAJO-INIZCTEOSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000890371115 591155085 /nfs/dbraw/zinc/15/50/85/591155085.db2.gz MSKBXPXAQJXAJO-INIZCTEOSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000948630724 611673062 /nfs/dbraw/zinc/67/30/62/611673062.db2.gz BKSSVCGPEYWXIF-VZDIDWBNSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630724 611673067 /nfs/dbraw/zinc/67/30/67/611673067.db2.gz BKSSVCGPEYWXIF-VZDIDWBNSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630724 611673068 /nfs/dbraw/zinc/67/30/68/611673068.db2.gz BKSSVCGPEYWXIF-VZDIDWBNSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938317937 609731693 /nfs/dbraw/zinc/73/16/93/609731693.db2.gz ZBTWVZBPERJGMZ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938317937 609731694 /nfs/dbraw/zinc/73/16/94/609731694.db2.gz ZBTWVZBPERJGMZ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938317937 609731696 /nfs/dbraw/zinc/73/16/96/609731696.db2.gz ZBTWVZBPERJGMZ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000938317937 609731698 /nfs/dbraw/zinc/73/16/98/609731698.db2.gz ZBTWVZBPERJGMZ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000938317937 609731699 /nfs/dbraw/zinc/73/16/99/609731699.db2.gz ZBTWVZBPERJGMZ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COCCO1 ZINC000912506085 609963084 /nfs/dbraw/zinc/96/30/84/609963084.db2.gz IPHXWAWITGVJMY-OAHLLOKOSA-N 2 1 342.484 0.458 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nncs3)C2)CC1 ZINC000939807723 610136013 /nfs/dbraw/zinc/13/60/13/610136013.db2.gz AAJNSWIBIPFSJJ-HIFRSBDPSA-N 2 1 347.488 0.820 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000940807925 610373138 /nfs/dbraw/zinc/37/31/38/610373138.db2.gz WKTBJRITCXWHDH-GJZGRUSLSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000940807925 610373140 /nfs/dbraw/zinc/37/31/40/610373140.db2.gz WKTBJRITCXWHDH-GJZGRUSLSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941614544 610410501 /nfs/dbraw/zinc/41/05/01/610410501.db2.gz CBSQEXZNVDWKNR-UHFFFAOYSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC000945184731 610938717 /nfs/dbraw/zinc/93/87/17/610938717.db2.gz XMIUPIZBJJPYGI-DOTOQJQBSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000922200529 611342816 /nfs/dbraw/zinc/34/28/16/611342816.db2.gz DNLJIFVLOAPULD-INIZCTEOSA-N 2 1 336.480 0.884 20 30 ECEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933658908 611739384 /nfs/dbraw/zinc/73/93/84/611739384.db2.gz VUOCBEZUHLQOKH-UHFFFAOYSA-N 2 1 335.448 0.925 20 30 ECEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949470999 611991848 /nfs/dbraw/zinc/99/18/48/611991848.db2.gz NNRVZSSTXVXCKH-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949470999 611991849 /nfs/dbraw/zinc/99/18/49/611991849.db2.gz NNRVZSSTXVXCKH-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470999 611991850 /nfs/dbraw/zinc/99/18/50/611991850.db2.gz NNRVZSSTXVXCKH-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470999 611991851 /nfs/dbraw/zinc/99/18/51/611991851.db2.gz NNRVZSSTXVXCKH-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954835759 612729003 /nfs/dbraw/zinc/72/90/03/612729003.db2.gz VZSFFQSSOAFOOZ-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000954835759 612729004 /nfs/dbraw/zinc/72/90/04/612729004.db2.gz VZSFFQSSOAFOOZ-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000954835759 612729005 /nfs/dbraw/zinc/72/90/05/612729005.db2.gz VZSFFQSSOAFOOZ-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000954835759 612729006 /nfs/dbraw/zinc/72/90/06/612729006.db2.gz VZSFFQSSOAFOOZ-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954835759 612729007 /nfs/dbraw/zinc/72/90/07/612729007.db2.gz VZSFFQSSOAFOOZ-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225707 733069390 /nfs/dbraw/zinc/06/93/90/733069390.db2.gz XZHBOMMICHWAJB-OAHLLOKOSA-N 2 1 336.480 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCCO)C3)C2)CC1 ZINC001041842720 782322916 /nfs/dbraw/zinc/32/29/16/782322916.db2.gz AVWRFKBNCBDHKL-LJQANCHMSA-N 2 1 333.476 0.638 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000970366124 733424748 /nfs/dbraw/zinc/42/47/48/733424748.db2.gz JFXGFPYUORLWMF-YOEHRIQHSA-N 2 1 348.491 0.552 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnon2)CC1 ZINC001025168427 738752333 /nfs/dbraw/zinc/75/23/33/738752333.db2.gz DLOCZTLVCWTFTO-QGZVFWFLSA-N 2 1 345.447 0.886 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224700 735071900 /nfs/dbraw/zinc/07/19/00/735071900.db2.gz MNJLQLQXIZPROR-DLBZAZTESA-N 2 1 337.464 0.587 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001083224700 735071901 /nfs/dbraw/zinc/07/19/01/735071901.db2.gz MNJLQLQXIZPROR-DLBZAZTESA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001023759291 737319766 /nfs/dbraw/zinc/31/97/66/737319766.db2.gz FCNVHDLJCFPDGY-CVEARBPZSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682867 737371705 /nfs/dbraw/zinc/37/17/05/737371705.db2.gz JCMXDHMESOQKBP-AEFFLSMTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682867 737371709 /nfs/dbraw/zinc/37/17/09/737371709.db2.gz JCMXDHMESOQKBP-AEFFLSMTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682867 737371714 /nfs/dbraw/zinc/37/17/14/737371714.db2.gz JCMXDHMESOQKBP-AEFFLSMTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682867 737371717 /nfs/dbraw/zinc/37/17/17/737371717.db2.gz JCMXDHMESOQKBP-AEFFLSMTSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](CCCO)CCO3)CC1 ZINC000972688003 737381071 /nfs/dbraw/zinc/38/10/71/737381071.db2.gz LMPUERALFUOWOY-IBGZPJMESA-N 2 1 349.475 0.017 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCCO)CCO3)CC1 ZINC000972688003 737381073 /nfs/dbraw/zinc/38/10/73/737381073.db2.gz LMPUERALFUOWOY-IBGZPJMESA-N 2 1 349.475 0.017 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001024022313 737627000 /nfs/dbraw/zinc/62/70/00/737627000.db2.gz UAVBYRVXMQZEGN-SJORKVTESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001024022313 737627003 /nfs/dbraw/zinc/62/70/03/737627003.db2.gz UAVBYRVXMQZEGN-SJORKVTESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024022395 737627294 /nfs/dbraw/zinc/62/72/94/737627294.db2.gz XEFMSRSAVURTJC-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024022395 737627297 /nfs/dbraw/zinc/62/72/97/737627297.db2.gz XEFMSRSAVURTJC-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC000981975894 751392330 /nfs/dbraw/zinc/39/23/30/751392330.db2.gz BWLCQJDGHISOSR-HOTGVXAUSA-N 2 1 336.480 0.648 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC000981975894 751392335 /nfs/dbraw/zinc/39/23/35/751392335.db2.gz BWLCQJDGHISOSR-HOTGVXAUSA-N 2 1 336.480 0.648 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006366 790306435 /nfs/dbraw/zinc/30/64/35/790306435.db2.gz SFZFZILYAPGVQD-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006366 790306440 /nfs/dbraw/zinc/30/64/40/790306440.db2.gz SFZFZILYAPGVQD-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006366 790306444 /nfs/dbraw/zinc/30/64/44/790306444.db2.gz SFZFZILYAPGVQD-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006366 790306449 /nfs/dbraw/zinc/30/64/49/790306449.db2.gz SFZFZILYAPGVQD-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259755 741586112 /nfs/dbraw/zinc/58/61/12/741586112.db2.gz LCJCCFRSJJVAQZ-MRXNPFEDSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264379 741595196 /nfs/dbraw/zinc/59/51/96/741595196.db2.gz HAURRTSXTLIIEU-INIZCTEOSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC001105297806 741675998 /nfs/dbraw/zinc/67/59/98/741675998.db2.gz VSZQCISENMACRX-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320929 741773069 /nfs/dbraw/zinc/77/30/69/741773069.db2.gz QCZNMIXWXZZDGS-MRXNPFEDSA-N 2 1 334.468 0.913 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001029003217 743156924 /nfs/dbraw/zinc/15/69/24/743156924.db2.gz ITAJHTQKLFRUNS-HNNXBMFYSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001029003217 743156926 /nfs/dbraw/zinc/15/69/26/743156926.db2.gz ITAJHTQKLFRUNS-HNNXBMFYSA-N 2 1 344.463 0.098 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261963507 743190999 /nfs/dbraw/zinc/19/09/99/743190999.db2.gz KWIVFQRBFYALBO-GOEBONIOSA-N 3 1 337.512 0.745 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261963507 743191004 /nfs/dbraw/zinc/19/10/04/743191004.db2.gz KWIVFQRBFYALBO-GOEBONIOSA-N 2 1 337.512 0.745 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000997611739 743708466 /nfs/dbraw/zinc/70/84/66/743708466.db2.gz GOKSEBYDXVPZDB-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999397284 744674825 /nfs/dbraw/zinc/67/48/25/744674825.db2.gz LMGFWMQNUCSNHO-SJORKVTESA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999397284 744674827 /nfs/dbraw/zinc/67/48/27/744674827.db2.gz LMGFWMQNUCSNHO-SJORKVTESA-N 2 1 329.448 0.598 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999970266 745117420 /nfs/dbraw/zinc/11/74/20/745117420.db2.gz AYQDVJQEHNDEIR-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999970266 745117425 /nfs/dbraw/zinc/11/74/25/745117425.db2.gz AYQDVJQEHNDEIR-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970266 745117430 /nfs/dbraw/zinc/11/74/30/745117430.db2.gz AYQDVJQEHNDEIR-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970266 745117435 /nfs/dbraw/zinc/11/74/35/745117435.db2.gz AYQDVJQEHNDEIR-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991320 745148211 /nfs/dbraw/zinc/14/82/11/745148211.db2.gz KZAJNDUMRLYVBJ-FVQBIDKESA-N 2 1 348.451 0.046 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991320 745148212 /nfs/dbraw/zinc/14/82/12/745148212.db2.gz KZAJNDUMRLYVBJ-FVQBIDKESA-N 2 1 348.451 0.046 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991320 745148216 /nfs/dbraw/zinc/14/82/16/745148216.db2.gz KZAJNDUMRLYVBJ-FVQBIDKESA-N 2 1 348.451 0.046 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991320 745148218 /nfs/dbraw/zinc/14/82/18/745148218.db2.gz KZAJNDUMRLYVBJ-FVQBIDKESA-N 2 1 348.451 0.046 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995453 745154588 /nfs/dbraw/zinc/15/45/88/745154588.db2.gz GHFJPUNULYPDIC-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995453 745154589 /nfs/dbraw/zinc/15/45/89/745154589.db2.gz GHFJPUNULYPDIC-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995453 745154590 /nfs/dbraw/zinc/15/45/90/745154590.db2.gz GHFJPUNULYPDIC-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011408 745180255 /nfs/dbraw/zinc/18/02/55/745180255.db2.gz UVHCWQRVYKHWOH-ZOBUZTSGSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)nn2)C1 ZINC001000011408 745180260 /nfs/dbraw/zinc/18/02/60/745180260.db2.gz UVHCWQRVYKHWOH-ZOBUZTSGSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)nn2)C1 ZINC001000011408 745180261 /nfs/dbraw/zinc/18/02/61/745180261.db2.gz UVHCWQRVYKHWOH-ZOBUZTSGSA-N 2 1 344.463 0.505 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266320 752001200 /nfs/dbraw/zinc/00/12/00/752001200.db2.gz UGIMZBRYGGLKCL-CVEARBPZSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266320 752001208 /nfs/dbraw/zinc/00/12/08/752001208.db2.gz UGIMZBRYGGLKCL-CVEARBPZSA-N 2 1 346.475 0.450 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nncn3C)C2)CC1 ZINC001000991099 745957029 /nfs/dbraw/zinc/95/70/29/745957029.db2.gz GBUWMBXVPTWNGR-MRXNPFEDSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nncs3)C2)CC1 ZINC001000993041 745958209 /nfs/dbraw/zinc/95/82/09/745958209.db2.gz PQTGQPRGBLYPLC-HNNXBMFYSA-N 2 1 347.488 0.964 20 30 ECEDMP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261675015 752077880 /nfs/dbraw/zinc/07/78/80/752077880.db2.gz HBXWZKYHZMDYAZ-HNNXBMFYSA-N 2 1 334.468 0.838 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985035371 747288742 /nfs/dbraw/zinc/28/87/42/747288742.db2.gz UQMQYPZJCCDJHT-QAETUUGQSA-N 2 1 348.491 0.600 20 30 ECEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC001105464939 752173632 /nfs/dbraw/zinc/17/36/32/752173632.db2.gz YXCMOKPIJJMFHP-HFCFLWKCSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC001105464939 752173635 /nfs/dbraw/zinc/17/36/35/752173635.db2.gz YXCMOKPIJJMFHP-HFCFLWKCSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001002837148 747859431 /nfs/dbraw/zinc/85/94/31/747859431.db2.gz YMSFOUHMOJNTOB-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001002837148 747859449 /nfs/dbraw/zinc/85/94/49/747859449.db2.gz YMSFOUHMOJNTOB-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001002837148 747859457 /nfs/dbraw/zinc/85/94/57/747859457.db2.gz YMSFOUHMOJNTOB-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001002837148 747859466 /nfs/dbraw/zinc/85/94/66/747859466.db2.gz YMSFOUHMOJNTOB-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP COC(=O)c1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000303779347 748128610 /nfs/dbraw/zinc/12/86/10/748128610.db2.gz KJSWUFHWXJJGEO-UHFFFAOYSA-N 2 1 348.447 0.642 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157547 748241555 /nfs/dbraw/zinc/24/15/55/748241555.db2.gz AYBPWHWTCCEIMJ-IAGOWNOFSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001088326565 748735827 /nfs/dbraw/zinc/73/58/27/748735827.db2.gz SIKDIRWOHVIWJN-IRXDYDNUSA-N 2 1 331.464 0.807 20 30 ECEDMP CC#CCNCc1cn([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734533 749159406 /nfs/dbraw/zinc/15/94/06/749159406.db2.gz VIQHXVVECLYMJQ-RDJZCZTQSA-N 2 1 344.463 0.506 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149946 749263145 /nfs/dbraw/zinc/26/31/45/749263145.db2.gz OMQDHQTUHGRFPA-ZBFHGGJFSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149944 749263280 /nfs/dbraw/zinc/26/32/80/749263280.db2.gz OMQDHQTUHGRFPA-GOEBONIOSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)Cc2cnon2)CC1 ZINC001029971029 750153791 /nfs/dbraw/zinc/15/37/91/750153791.db2.gz DVRRDEHVKVAQLL-KRWDZBQOSA-N 2 1 345.447 0.838 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000981332586 750591048 /nfs/dbraw/zinc/59/10/48/750591048.db2.gz CCFPZJNITUDMHM-IAGOWNOFSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812430 751132343 /nfs/dbraw/zinc/13/23/43/751132343.db2.gz NSZWNVACNCNYOE-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812430 751132346 /nfs/dbraw/zinc/13/23/46/751132346.db2.gz NSZWNVACNCNYOE-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006312975 751231730 /nfs/dbraw/zinc/23/17/30/751231730.db2.gz CXBDMRQSINSUSD-BHYGNILZSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006312975 751231734 /nfs/dbraw/zinc/23/17/34/751231734.db2.gz CXBDMRQSINSUSD-BHYGNILZSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006312975 751231738 /nfs/dbraw/zinc/23/17/38/751231738.db2.gz CXBDMRQSINSUSD-BHYGNILZSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006312975 751231744 /nfs/dbraw/zinc/23/17/44/751231744.db2.gz CXBDMRQSINSUSD-BHYGNILZSA-N 2 1 346.475 0.141 20 30 ECEDMP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467480 752760768 /nfs/dbraw/zinc/76/07/68/752760768.db2.gz XBTXPWMKGNZZTB-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467480 752760774 /nfs/dbraw/zinc/76/07/74/752760774.db2.gz XBTXPWMKGNZZTB-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467480 752760780 /nfs/dbraw/zinc/76/07/80/752760780.db2.gz XBTXPWMKGNZZTB-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467480 752760784 /nfs/dbraw/zinc/76/07/84/752760784.db2.gz XBTXPWMKGNZZTB-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467480 752760789 /nfs/dbraw/zinc/76/07/89/752760789.db2.gz XBTXPWMKGNZZTB-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000989066234 753204511 /nfs/dbraw/zinc/20/45/11/753204511.db2.gz RBLLRLXMABMWQF-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000989066234 753204513 /nfs/dbraw/zinc/20/45/13/753204513.db2.gz RBLLRLXMABMWQF-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000989066234 753204518 /nfs/dbraw/zinc/20/45/18/753204518.db2.gz RBLLRLXMABMWQF-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000989066234 753204521 /nfs/dbraw/zinc/20/45/21/753204521.db2.gz RBLLRLXMABMWQF-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCS[C@@H](C(C)C)C1 ZINC000261835484 754428454 /nfs/dbraw/zinc/42/84/54/754428454.db2.gz VYYFGHQUNWTVML-HUUCEWRRSA-N 2 1 327.542 0.881 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001105377165 754504634 /nfs/dbraw/zinc/50/46/34/754504634.db2.gz RWJGKOQKTWNXPM-UHFFFAOYSA-N 2 1 332.452 0.813 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000983085321 754586555 /nfs/dbraw/zinc/58/65/55/754586555.db2.gz MRQMXGKORLAFJF-IXDOHACOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983085321 754586560 /nfs/dbraw/zinc/58/65/60/754586560.db2.gz MRQMXGKORLAFJF-IXDOHACOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000983085321 754586564 /nfs/dbraw/zinc/58/65/64/754586564.db2.gz MRQMXGKORLAFJF-IXDOHACOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000983085321 754586568 /nfs/dbraw/zinc/58/65/68/754586568.db2.gz MRQMXGKORLAFJF-IXDOHACOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001009631439 755094438 /nfs/dbraw/zinc/09/44/38/755094438.db2.gz YPOXPMFAILGDMX-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001009631439 755094440 /nfs/dbraw/zinc/09/44/40/755094440.db2.gz YPOXPMFAILGDMX-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001098690854 755328882 /nfs/dbraw/zinc/32/88/82/755328882.db2.gz VAIAAADHEKVEKY-INIZCTEOSA-N 2 1 343.435 0.922 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107146088 757037721 /nfs/dbraw/zinc/03/77/21/757037721.db2.gz VCWWNNYVHJSTSI-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001011315077 757491631 /nfs/dbraw/zinc/49/16/31/757491631.db2.gz YABXXDIVCHBUEZ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001011315077 757491632 /nfs/dbraw/zinc/49/16/32/757491632.db2.gz YABXXDIVCHBUEZ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001011315077 757491635 /nfs/dbraw/zinc/49/16/35/757491635.db2.gz YABXXDIVCHBUEZ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001011315077 757491638 /nfs/dbraw/zinc/49/16/38/757491638.db2.gz YABXXDIVCHBUEZ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107235020 758019595 /nfs/dbraw/zinc/01/95/95/758019595.db2.gz XJLLBBVDHZQXMN-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC[C@H]1C ZINC001077124766 758287221 /nfs/dbraw/zinc/28/72/21/758287221.db2.gz FDWGWUSNDGSLED-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CCC[C@H]1C ZINC001077124766 758287226 /nfs/dbraw/zinc/28/72/26/758287226.db2.gz FDWGWUSNDGSLED-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001077124766 758287232 /nfs/dbraw/zinc/28/72/32/758287232.db2.gz FDWGWUSNDGSLED-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001077124766 758287237 /nfs/dbraw/zinc/28/72/37/758287237.db2.gz FDWGWUSNDGSLED-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001077125564 758292009 /nfs/dbraw/zinc/29/20/09/758292009.db2.gz XSOHCFFNYDFADV-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001077125564 758292021 /nfs/dbraw/zinc/29/20/21/758292021.db2.gz XSOHCFFNYDFADV-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001022220718 758441845 /nfs/dbraw/zinc/44/18/45/758441845.db2.gz LMLXUCGERRIVDV-NCOADZHNSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001022220718 758441847 /nfs/dbraw/zinc/44/18/47/758441847.db2.gz LMLXUCGERRIVDV-NCOADZHNSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000996686401 758499509 /nfs/dbraw/zinc/49/95/09/758499509.db2.gz SZGANMHGFPDBAV-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000996686401 758499511 /nfs/dbraw/zinc/49/95/11/758499511.db2.gz SZGANMHGFPDBAV-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779960 758631124 /nfs/dbraw/zinc/63/11/24/758631124.db2.gz UNLHECWMPXMEDL-NWDGAFQWSA-N 2 1 332.242 0.464 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC001127779295 758645198 /nfs/dbraw/zinc/64/51/98/758645198.db2.gz KXDBRWLHNXPNOS-WBVHZDCISA-N 2 1 346.406 0.766 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996766986 758772456 /nfs/dbraw/zinc/77/24/56/758772456.db2.gz RFSMFFJKVZHKEL-OFLPRAFFSA-N 2 1 333.480 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001047638242 759374145 /nfs/dbraw/zinc/37/41/45/759374145.db2.gz IGSQHGSYCXIHHP-ROUUACIJSA-N 2 1 333.476 0.635 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583552 760415656 /nfs/dbraw/zinc/41/56/56/760415656.db2.gz AMGOAGWSTZGVIZ-USXIJHARSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583552 760415660 /nfs/dbraw/zinc/41/56/60/760415660.db2.gz AMGOAGWSTZGVIZ-USXIJHARSA-N 2 1 332.448 0.881 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC)CC2 ZINC001050551213 760478021 /nfs/dbraw/zinc/47/80/21/760478021.db2.gz SBQCIENXOKSGTJ-HOTGVXAUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC)CC2 ZINC001050551213 760478027 /nfs/dbraw/zinc/47/80/27/760478027.db2.gz SBQCIENXOKSGTJ-HOTGVXAUSA-N 2 1 346.475 0.143 20 30 ECEDMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC#N ZINC001099202682 768015640 /nfs/dbraw/zinc/01/56/40/768015640.db2.gz DOGJLJYYJGGJFE-CQSZACIVSA-N 2 1 337.468 0.185 20 30 ECEDMP C[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC#N ZINC001099202682 768015644 /nfs/dbraw/zinc/01/56/44/768015644.db2.gz DOGJLJYYJGGJFE-CQSZACIVSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046849945 763228933 /nfs/dbraw/zinc/22/89/33/763228933.db2.gz MNMVREYQIIOKGC-LJQANCHMSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001046849945 763228940 /nfs/dbraw/zinc/22/89/40/763228940.db2.gz MNMVREYQIIOKGC-LJQANCHMSA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001051930122 763361318 /nfs/dbraw/zinc/36/13/18/763361318.db2.gz IWFDKPNOXVQZEJ-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]Cc3ccon3)C2)CC1 ZINC001051943361 763409391 /nfs/dbraw/zinc/40/93/91/763409391.db2.gz KSTQWHWDMZIWNB-QGZVFWFLSA-N 2 1 346.431 0.337 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046948317 763441180 /nfs/dbraw/zinc/44/11/80/763441180.db2.gz GFNXFOVXBVMLGY-QLFBSQMISA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046948317 763441182 /nfs/dbraw/zinc/44/11/82/763441182.db2.gz GFNXFOVXBVMLGY-QLFBSQMISA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948317 763441187 /nfs/dbraw/zinc/44/11/87/763441187.db2.gz GFNXFOVXBVMLGY-QLFBSQMISA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948317 763441188 /nfs/dbraw/zinc/44/11/88/763441188.db2.gz GFNXFOVXBVMLGY-QLFBSQMISA-N 2 1 343.418 0.802 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029924 763628274 /nfs/dbraw/zinc/62/82/74/763628274.db2.gz FIZAECYFJGNYFR-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001052037798 763656807 /nfs/dbraw/zinc/65/68/07/763656807.db2.gz SLELGSXBSPQVNR-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001052037798 763656814 /nfs/dbraw/zinc/65/68/14/763656814.db2.gz SLELGSXBSPQVNR-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071771 763773864 /nfs/dbraw/zinc/77/38/64/763773864.db2.gz ZGQAXQUXPNRABE-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071771 763773870 /nfs/dbraw/zinc/77/38/70/763773870.db2.gz ZGQAXQUXPNRABE-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP C=C(Br)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417277 764328978 /nfs/dbraw/zinc/32/89/78/764328978.db2.gz PPLZFWUGNPZGDH-UHFFFAOYSA-N 2 1 334.258 0.713 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCN1CCOCC1 ZINC001089873321 764476866 /nfs/dbraw/zinc/47/68/66/764476866.db2.gz AHORNQXHOJYDPF-MANSERQUSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089873321 764476870 /nfs/dbraw/zinc/47/68/70/764476870.db2.gz AHORNQXHOJYDPF-MANSERQUSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089873321 764476874 /nfs/dbraw/zinc/47/68/74/764476874.db2.gz AHORNQXHOJYDPF-MANSERQUSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089873322 764478964 /nfs/dbraw/zinc/47/89/64/764478964.db2.gz AHORNQXHOJYDPF-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089873322 764478970 /nfs/dbraw/zinc/47/89/70/764478970.db2.gz AHORNQXHOJYDPF-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001016330135 766126824 /nfs/dbraw/zinc/12/68/24/766126824.db2.gz DXLACUQRGAXIFW-GOSISDBHSA-N 2 1 333.476 0.949 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035104 766718238 /nfs/dbraw/zinc/71/82/38/766718238.db2.gz DLQJQUQVQZWZPJ-ROUUACIJSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001046036488 766727487 /nfs/dbraw/zinc/72/74/87/766727487.db2.gz LRHMUBQXMZCBEC-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001046036488 766727490 /nfs/dbraw/zinc/72/74/90/766727490.db2.gz LRHMUBQXMZCBEC-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001046036488 766727493 /nfs/dbraw/zinc/72/74/93/766727493.db2.gz LRHMUBQXMZCBEC-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001046036488 766727496 /nfs/dbraw/zinc/72/74/96/766727496.db2.gz LRHMUBQXMZCBEC-MOPGFXCFSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064356 766843916 /nfs/dbraw/zinc/84/39/16/766843916.db2.gz LMWXOFJDAYOZCC-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064356 766843924 /nfs/dbraw/zinc/84/39/24/766843924.db2.gz LMWXOFJDAYOZCC-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064356 766843933 /nfs/dbraw/zinc/84/39/33/766843933.db2.gz LMWXOFJDAYOZCC-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076758 766905559 /nfs/dbraw/zinc/90/55/59/766905559.db2.gz PRGCHVUQGXNEHV-KRWDZBQOSA-N 2 1 332.492 0.877 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085164 766926474 /nfs/dbraw/zinc/92/64/74/766926474.db2.gz NAFVKVDXMNUVTQ-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085164 766926476 /nfs/dbraw/zinc/92/64/76/766926476.db2.gz NAFVKVDXMNUVTQ-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085164 766926477 /nfs/dbraw/zinc/92/64/77/766926477.db2.gz NAFVKVDXMNUVTQ-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087650 766930095 /nfs/dbraw/zinc/93/00/95/766930095.db2.gz YSUXPQLFJZUSOJ-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087650 766930097 /nfs/dbraw/zinc/93/00/97/766930097.db2.gz YSUXPQLFJZUSOJ-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087650 766930099 /nfs/dbraw/zinc/93/00/99/766930099.db2.gz YSUXPQLFJZUSOJ-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087650 766930101 /nfs/dbraw/zinc/93/01/01/766930101.db2.gz YSUXPQLFJZUSOJ-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875568 767111866 /nfs/dbraw/zinc/11/18/66/767111866.db2.gz GECKDKIOQHFSEE-LPMVOBIJSA-N 2 1 347.459 0.385 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875568 767111869 /nfs/dbraw/zinc/11/18/69/767111869.db2.gz GECKDKIOQHFSEE-LPMVOBIJSA-N 2 1 347.459 0.385 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000938821739 767121475 /nfs/dbraw/zinc/12/14/75/767121475.db2.gz UNGSWFVDGHOJOI-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000938821739 767121476 /nfs/dbraw/zinc/12/14/76/767121476.db2.gz UNGSWFVDGHOJOI-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000938821739 767121478 /nfs/dbraw/zinc/12/14/78/767121478.db2.gz UNGSWFVDGHOJOI-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000938821739 767121480 /nfs/dbraw/zinc/12/14/80/767121480.db2.gz UNGSWFVDGHOJOI-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC001042065426 782706471 /nfs/dbraw/zinc/70/64/71/782706471.db2.gz STUQSBQJNBRJCL-NVXWUHKLSA-N 2 1 329.448 0.614 20 30 ECEDMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055546096 769082314 /nfs/dbraw/zinc/08/23/14/769082314.db2.gz XQYQCCCWEJQNLD-KRWDZBQOSA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055546096 769082321 /nfs/dbraw/zinc/08/23/21/769082321.db2.gz XQYQCCCWEJQNLD-KRWDZBQOSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001018972968 770437598 /nfs/dbraw/zinc/43/75/98/770437598.db2.gz YWMOJTIJZRZZTM-GOEBONIOSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001018986297 770486885 /nfs/dbraw/zinc/48/68/85/770486885.db2.gz XWLIEFIJEXTDDC-ROUUACIJSA-N 2 1 343.475 0.788 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001018986297 770486887 /nfs/dbraw/zinc/48/68/87/770486887.db2.gz XWLIEFIJEXTDDC-ROUUACIJSA-N 2 1 343.475 0.788 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cn2c[nH+]cc2C)C1=O ZINC001045121921 775013914 /nfs/dbraw/zinc/01/39/14/775013914.db2.gz BYSHHQUSLPNTKQ-JKSUJKDBSA-N 2 1 345.447 0.559 20 30 ECEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027233 790375499 /nfs/dbraw/zinc/37/54/99/790375499.db2.gz UFNSYPJMURKXQA-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027233 790375509 /nfs/dbraw/zinc/37/55/09/790375509.db2.gz UFNSYPJMURKXQA-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027233 790375522 /nfs/dbraw/zinc/37/55/22/790375522.db2.gz UFNSYPJMURKXQA-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027233 790375543 /nfs/dbraw/zinc/37/55/43/790375543.db2.gz UFNSYPJMURKXQA-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076343 790522926 /nfs/dbraw/zinc/52/29/26/790522926.db2.gz MDANNYDOCHNLRK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076343 790522929 /nfs/dbraw/zinc/52/29/29/790522929.db2.gz MDANNYDOCHNLRK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076343 790522934 /nfs/dbraw/zinc/52/29/34/790522934.db2.gz MDANNYDOCHNLRK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076343 790522937 /nfs/dbraw/zinc/52/29/37/790522937.db2.gz MDANNYDOCHNLRK-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070327922 783835329 /nfs/dbraw/zinc/83/53/29/783835329.db2.gz JJROCCQLMYDFDS-CABCVRRESA-N 2 1 329.408 0.401 20 30 ECEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382759 783920460 /nfs/dbraw/zinc/92/04/60/783920460.db2.gz PGZUXMLGBYJVGF-JZXOWHBKSA-N 2 1 348.491 0.600 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070385242 783927722 /nfs/dbraw/zinc/92/77/22/783927722.db2.gz JHFCCRLDXDABMY-DLBZAZTESA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[NH+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070385242 783927728 /nfs/dbraw/zinc/92/77/28/783927728.db2.gz JHFCCRLDXDABMY-DLBZAZTESA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070385242 783927732 /nfs/dbraw/zinc/92/77/32/783927732.db2.gz JHFCCRLDXDABMY-DLBZAZTESA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070385242 783927736 /nfs/dbraw/zinc/92/77/36/783927736.db2.gz JHFCCRLDXDABMY-DLBZAZTESA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001070433692 784059427 /nfs/dbraw/zinc/05/94/27/784059427.db2.gz BCWFLZNGHFTAQH-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001070433692 784059433 /nfs/dbraw/zinc/05/94/33/784059433.db2.gz BCWFLZNGHFTAQH-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070433692 784059440 /nfs/dbraw/zinc/05/94/40/784059440.db2.gz BCWFLZNGHFTAQH-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001070433692 784059445 /nfs/dbraw/zinc/05/94/45/784059445.db2.gz BCWFLZNGHFTAQH-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070433694 784059651 /nfs/dbraw/zinc/05/96/51/784059651.db2.gz BCWFLZNGHFTAQH-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070433694 784059658 /nfs/dbraw/zinc/05/96/58/784059658.db2.gz BCWFLZNGHFTAQH-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070433694 784059667 /nfs/dbraw/zinc/05/96/67/784059667.db2.gz BCWFLZNGHFTAQH-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070433694 784059672 /nfs/dbraw/zinc/05/96/72/784059672.db2.gz BCWFLZNGHFTAQH-ZBFHGGJFSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001070921739 784118889 /nfs/dbraw/zinc/11/88/89/784118889.db2.gz LJRGSWUQKNXLDD-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001070921739 784118892 /nfs/dbraw/zinc/11/88/92/784118892.db2.gz LJRGSWUQKNXLDD-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001070921739 784118895 /nfs/dbraw/zinc/11/88/95/784118895.db2.gz LJRGSWUQKNXLDD-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001070921739 784118897 /nfs/dbraw/zinc/11/88/97/784118897.db2.gz LJRGSWUQKNXLDD-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629334 784460761 /nfs/dbraw/zinc/46/07/61/784460761.db2.gz GCJVNIJWOACMBL-BZUAXINKSA-N 2 1 331.464 0.974 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070661048 784516615 /nfs/dbraw/zinc/51/66/15/784516615.db2.gz VZDVNNNVBLHGJH-OAGGEKHMSA-N 2 1 331.464 0.974 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710621 784579705 /nfs/dbraw/zinc/57/97/05/784579705.db2.gz KMSMILPQSAOHDS-ARFHVFGLSA-N 2 1 331.464 0.832 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816045 787251303 /nfs/dbraw/zinc/25/13/03/787251303.db2.gz SRKHHBJZCBKNBE-KRWDZBQOSA-N 2 1 349.479 0.842 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902736 790171985 /nfs/dbraw/zinc/17/19/85/790171985.db2.gz MFLRQIFYSZLBAA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902736 790171986 /nfs/dbraw/zinc/17/19/86/790171986.db2.gz MFLRQIFYSZLBAA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902736 790171987 /nfs/dbraw/zinc/17/19/87/790171987.db2.gz MFLRQIFYSZLBAA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902736 790171988 /nfs/dbraw/zinc/17/19/88/790171988.db2.gz MFLRQIFYSZLBAA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cncc2C)C1 ZINC001267562236 837775379 /nfs/dbraw/zinc/77/53/79/837775379.db2.gz YVYFUSZYZKKFJA-HOTGVXAUSA-N 2 1 347.463 0.710 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267562236 837775389 /nfs/dbraw/zinc/77/53/89/837775389.db2.gz YVYFUSZYZKKFJA-HOTGVXAUSA-N 2 1 347.463 0.710 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001266516670 835927574 /nfs/dbraw/zinc/92/75/74/835927574.db2.gz AHAOZHJZRTZZSY-HOTGVXAUSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267001381 836591562 /nfs/dbraw/zinc/59/15/62/836591562.db2.gz OWDNEAOEOKSSED-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)CCC1 ZINC001267169697 836900467 /nfs/dbraw/zinc/90/04/67/836900467.db2.gz UXSFUYWBIOPHCO-OAHLLOKOSA-N 2 1 349.479 0.471 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266569 837103290 /nfs/dbraw/zinc/10/32/90/837103290.db2.gz GTHMARJXTAGZCA-HZPDHXFCSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266569 837103293 /nfs/dbraw/zinc/10/32/93/837103293.db2.gz GTHMARJXTAGZCA-HZPDHXFCSA-N 2 1 334.464 0.211 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001279624962 837103554 /nfs/dbraw/zinc/10/35/54/837103554.db2.gz WHAIKZGXCKFOPH-OKZBNKHCSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)nnn1CC ZINC001267989609 838934378 /nfs/dbraw/zinc/93/43/78/838934378.db2.gz MXPHVSMEOCFQOJ-ZBFHGGJFSA-N 2 1 346.479 0.546 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1c(C)nnn1CC ZINC001267989609 838934383 /nfs/dbraw/zinc/93/43/83/838934383.db2.gz MXPHVSMEOCFQOJ-ZBFHGGJFSA-N 2 1 346.479 0.546 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC=C)CCCC1 ZINC001268035305 839097238 /nfs/dbraw/zinc/09/72/38/839097238.db2.gz YFGFQFLCHOXEMK-INIZCTEOSA-N 2 1 346.475 0.405 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC=C)CCCC1 ZINC001268035305 839097249 /nfs/dbraw/zinc/09/72/49/839097249.db2.gz YFGFQFLCHOXEMK-INIZCTEOSA-N 2 1 346.475 0.405 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)Nc1cccc(F)c1 ZINC000104182427 436557028 /nfs/dbraw/zinc/55/70/28/436557028.db2.gz ODNPCBXWJUARMX-UHFFFAOYSA-N 2 1 337.399 0.391 20 30 ECEDMP C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000112904099 436634695 /nfs/dbraw/zinc/63/46/95/436634695.db2.gz YDVKYIJHGHFFAT-MRXNPFEDSA-N 2 1 334.464 0.145 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nc2ccccc2[nH]1 ZINC000264079130 437015948 /nfs/dbraw/zinc/01/59/48/437015948.db2.gz HZSXOHNESITMKO-UHFFFAOYSA-N 2 1 330.436 0.732 20 30 ECEDMP C[NH+]1CCN(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000332541295 437228714 /nfs/dbraw/zinc/22/87/14/437228714.db2.gz XBKDGDRCCLRUKA-UHFFFAOYSA-N 2 1 341.459 0.450 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000342032898 437947299 /nfs/dbraw/zinc/94/72/99/437947299.db2.gz IFPSWIOMRWKDKS-INIZCTEOSA-N 2 1 336.480 0.744 20 30 ECEDMP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972097 /nfs/dbraw/zinc/97/20/97/437972097.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972101 /nfs/dbraw/zinc/97/21/01/437972101.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972103 /nfs/dbraw/zinc/97/21/03/437972103.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 2 1 336.432 0.757 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372331079 438070236 /nfs/dbraw/zinc/07/02/36/438070236.db2.gz NGUKCXFVUUPINH-RBSFLKMASA-N 2 1 338.452 0.477 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372331079 438070241 /nfs/dbraw/zinc/07/02/41/438070241.db2.gz NGUKCXFVUUPINH-RBSFLKMASA-N 2 1 338.452 0.477 20 30 ECEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)NCC#N)CC2)CC1 ZINC000430927625 438131764 /nfs/dbraw/zinc/13/17/64/438131764.db2.gz JANMVBBGCFNAKP-UHFFFAOYSA-N 2 1 335.496 0.754 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422296523 438548866 /nfs/dbraw/zinc/54/88/66/438548866.db2.gz OPGUXLHEEUDVJU-INIZCTEOSA-N 2 1 336.480 0.694 20 30 ECEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878500 439150281 /nfs/dbraw/zinc/15/02/81/439150281.db2.gz XNDYARHIQMSSQZ-WBVHZDCISA-N 2 1 325.453 0.446 20 30 ECEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878500 439150283 /nfs/dbraw/zinc/15/02/83/439150283.db2.gz XNDYARHIQMSSQZ-WBVHZDCISA-N 2 1 325.453 0.446 20 30 ECEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000491733338 439436865 /nfs/dbraw/zinc/43/68/65/439436865.db2.gz RDRBPASAWIGQIN-UHFFFAOYSA-N 2 1 342.443 0.303 20 30 ECEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000600739145 439697133 /nfs/dbraw/zinc/69/71/33/439697133.db2.gz PZBWSSPJPLMLSW-SJORKVTESA-N 2 1 333.432 0.734 20 30 ECEDMP C=C(CNC(=O)[C@H]1CCCC[N@@H+]1C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000620747680 546450392 /nfs/dbraw/zinc/45/03/92/546450392.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 2 1 336.480 0.744 20 30 ECEDMP C=C(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000620747680 546450396 /nfs/dbraw/zinc/45/03/96/546450396.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 2 1 336.480 0.744 20 30 ECEDMP C=C(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000620747680 546450402 /nfs/dbraw/zinc/45/04/02/546450402.db2.gz FIFULRWLGFMDMJ-IYBDPMFKSA-N 2 1 336.480 0.744 20 30 ECEDMP C#C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCCO1 ZINC000776232976 579278410 /nfs/dbraw/zinc/27/84/10/579278410.db2.gz UUOCCRAZKSPHTD-IAGOWNOFSA-N 2 1 336.480 0.835 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000836488085 588931693 /nfs/dbraw/zinc/93/16/93/588931693.db2.gz FYVUQGKQSCENDD-QGZVFWFLSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CCN1CCC(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870023314 589990067 /nfs/dbraw/zinc/99/00/67/589990067.db2.gz SGLOFNJIWJFVLC-QZTJIDSGSA-N 2 1 334.508 0.529 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC000949244395 608595738 /nfs/dbraw/zinc/59/57/38/608595738.db2.gz FHVWNSSDTJYEFA-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000157398427 608884507 /nfs/dbraw/zinc/88/45/07/608884507.db2.gz BJFFAVCTGINJOU-KRWDZBQOSA-N 3 1 339.528 0.981 20 30 ECEDMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000157398427 608884511 /nfs/dbraw/zinc/88/45/11/608884511.db2.gz BJFFAVCTGINJOU-KRWDZBQOSA-N 3 1 339.528 0.981 20 30 ECEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000157398427 608884514 /nfs/dbraw/zinc/88/45/14/608884514.db2.gz BJFFAVCTGINJOU-KRWDZBQOSA-N 3 1 339.528 0.981 20 30 ECEDMP C#CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000910888325 609774269 /nfs/dbraw/zinc/77/42/69/609774269.db2.gz YAIIHWDMQHUZLW-INIZCTEOSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000938756427 609982059 /nfs/dbraw/zinc/98/20/59/609982059.db2.gz PCLWVGZBFRLFBV-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000938756427 609982060 /nfs/dbraw/zinc/98/20/60/609982060.db2.gz PCLWVGZBFRLFBV-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C[NH+]=C(NCCc1ccco1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000154580319 609988798 /nfs/dbraw/zinc/98/87/98/609988798.db2.gz AEPZJNCIKOSJIX-INIZCTEOSA-N 2 1 347.463 0.636 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC000939811333 610137123 /nfs/dbraw/zinc/13/71/23/610137123.db2.gz SHEBNUNMLGRAOX-GDBMZVCRSA-N 2 1 344.463 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)CC1 ZINC000941238514 610622597 /nfs/dbraw/zinc/62/25/97/610622597.db2.gz YIWVBULQQKRYCB-INIZCTEOSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)CC2(C)C)CC1 ZINC000941238514 610622598 /nfs/dbraw/zinc/62/25/98/610622598.db2.gz YIWVBULQQKRYCB-INIZCTEOSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000941309665 610661451 /nfs/dbraw/zinc/66/14/51/610661451.db2.gz JGRDDDAZRCFVSS-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000941309665 610661453 /nfs/dbraw/zinc/66/14/53/610661453.db2.gz JGRDDDAZRCFVSS-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)CC1 ZINC000946901879 611244857 /nfs/dbraw/zinc/24/48/57/611244857.db2.gz HFXGIMJIKKQOSX-HDICACEKSA-N 2 1 333.476 0.494 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000929566892 611765564 /nfs/dbraw/zinc/76/55/64/611765564.db2.gz GXBKKEKYICURLG-DLBZAZTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC000949212600 611901989 /nfs/dbraw/zinc/90/19/89/611901989.db2.gz DWZYFIOIGDOXDX-UHFFFAOYSA-N 2 1 335.448 0.035 20 30 ECEDMP C#CCCN1CCOC2(CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC000949518590 612018395 /nfs/dbraw/zinc/01/83/95/612018395.db2.gz ZVVJIUHQOQVCIV-UHFFFAOYSA-N 2 1 330.432 0.977 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104306008 734183461 /nfs/dbraw/zinc/18/34/61/734183461.db2.gz GAQAXJNIIAJBCV-ZACQAIPSSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001104306008 734183462 /nfs/dbraw/zinc/18/34/62/734183462.db2.gz GAQAXJNIIAJBCV-ZACQAIPSSA-N 2 1 348.491 0.246 20 30 ECEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174407 782429069 /nfs/dbraw/zinc/42/90/69/782429069.db2.gz KHLZZQIPUUSKSA-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174407 782429074 /nfs/dbraw/zinc/42/90/74/782429074.db2.gz KHLZZQIPUUSKSA-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174407 782429078 /nfs/dbraw/zinc/42/90/78/782429078.db2.gz KHLZZQIPUUSKSA-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078174407 782429083 /nfs/dbraw/zinc/42/90/83/782429083.db2.gz KHLZZQIPUUSKSA-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433562 736191864 /nfs/dbraw/zinc/19/18/64/736191864.db2.gz KTIQBVDGTANEFD-MJQPBPLVSA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560683 738107406 /nfs/dbraw/zinc/10/74/06/738107406.db2.gz HXLMCRKDGFNCFY-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560683 738107410 /nfs/dbraw/zinc/10/74/10/738107410.db2.gz HXLMCRKDGFNCFY-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560683 738107412 /nfs/dbraw/zinc/10/74/12/738107412.db2.gz HXLMCRKDGFNCFY-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000973410818 739224254 /nfs/dbraw/zinc/22/42/54/739224254.db2.gz SDENCAXCBPQZQS-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000973410818 739224256 /nfs/dbraw/zinc/22/42/56/739224256.db2.gz SDENCAXCBPQZQS-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000973410818 739224257 /nfs/dbraw/zinc/22/42/57/739224257.db2.gz SDENCAXCBPQZQS-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000973410818 739224267 /nfs/dbraw/zinc/22/42/67/739224267.db2.gz SDENCAXCBPQZQS-QAETUUGQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001025629061 739793250 /nfs/dbraw/zinc/79/32/50/739793250.db2.gz ZOYNEQAZXNCWMK-NVXWUHKLSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000974265602 741197266 /nfs/dbraw/zinc/19/72/66/741197266.db2.gz QGIBPQSFWSYQRD-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000974265602 741197269 /nfs/dbraw/zinc/19/72/69/741197269.db2.gz QGIBPQSFWSYQRD-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000974265602 741197272 /nfs/dbraw/zinc/19/72/72/741197272.db2.gz QGIBPQSFWSYQRD-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000974265602 741197276 /nfs/dbraw/zinc/19/72/76/741197276.db2.gz QGIBPQSFWSYQRD-NCOADZHNSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075706 741252394 /nfs/dbraw/zinc/25/23/94/741252394.db2.gz PPTGSZGIXSUTPG-UPJWGTAASA-N 2 1 333.354 0.319 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075706 741252400 /nfs/dbraw/zinc/25/24/00/741252400.db2.gz PPTGSZGIXSUTPG-UPJWGTAASA-N 2 1 333.354 0.319 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256648 741571913 /nfs/dbraw/zinc/57/19/13/741571913.db2.gz LZDCAYCFMLTHTC-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256648 741571916 /nfs/dbraw/zinc/57/19/16/741571916.db2.gz LZDCAYCFMLTHTC-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C[C@@H](C)O)C3)CC1 ZINC000982162352 751652044 /nfs/dbraw/zinc/65/20/44/751652044.db2.gz PRPRHSCBGTXYNJ-MRXNPFEDSA-N 2 1 333.476 0.637 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326678 741809404 /nfs/dbraw/zinc/80/94/04/741809404.db2.gz BPTPVKOKTJYKME-AWEZNQCLSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327129 741811718 /nfs/dbraw/zinc/81/17/18/741811718.db2.gz TWUWLHPAPFNBFM-WMLDXEAASA-N 2 1 346.479 0.915 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC001026893870 742038452 /nfs/dbraw/zinc/03/84/52/742038452.db2.gz PGUUOIFYAIYWFX-RDJZCZTQSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC001026893870 742038456 /nfs/dbraw/zinc/03/84/56/742038456.db2.gz PGUUOIFYAIYWFX-RDJZCZTQSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2CC)C1 ZINC001026894271 742040238 /nfs/dbraw/zinc/04/02/38/742040238.db2.gz ZBWCNEOEXXLTJQ-IRXDYDNUSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2CC)C1 ZINC001026894271 742040242 /nfs/dbraw/zinc/04/02/42/742040242.db2.gz ZBWCNEOEXXLTJQ-IRXDYDNUSA-N 2 1 343.475 0.939 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001027218546 743180303 /nfs/dbraw/zinc/18/03/03/743180303.db2.gz IUGXLMQNDLYLET-HOTGVXAUSA-N 2 1 345.447 0.417 20 30 ECEDMP CCC(=O)N1CC[C@H](NC(NC[C@@]2([NH+](C)C)CCSC2)=[NH+]C)C1 ZINC000261968123 743197268 /nfs/dbraw/zinc/19/72/68/743197268.db2.gz LYPSPBCGXCCZJE-BBRMVZONSA-N 2 1 341.525 0.600 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000999373167 744663539 /nfs/dbraw/zinc/66/35/39/744663539.db2.gz FQHITJOCVPVYJN-RDJZCZTQSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999401782 744677525 /nfs/dbraw/zinc/67/75/25/744677525.db2.gz ZRAJRJMQUAOHIB-RDJZCZTQSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999401782 744677528 /nfs/dbraw/zinc/67/75/28/744677528.db2.gz ZRAJRJMQUAOHIB-RDJZCZTQSA-N 2 1 329.448 0.598 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960090 745101056 /nfs/dbraw/zinc/10/10/56/745101056.db2.gz BMQZNIDWYWLSEC-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960090 745101061 /nfs/dbraw/zinc/10/10/61/745101061.db2.gz BMQZNIDWYWLSEC-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960090 745101068 /nfs/dbraw/zinc/10/10/68/745101068.db2.gz BMQZNIDWYWLSEC-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020227 745191295 /nfs/dbraw/zinc/19/12/95/745191295.db2.gz KTKRJBONLKZKDV-QGZVFWFLSA-N 2 1 344.463 0.506 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020226 745191655 /nfs/dbraw/zinc/19/16/55/745191655.db2.gz KTKRJBONLKZKDV-KRWDZBQOSA-N 2 1 344.463 0.506 20 30 ECEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994256 746958105 /nfs/dbraw/zinc/95/81/05/746958105.db2.gz ZBJSKKYZSVKBJC-IKGGRYGDSA-N 2 1 331.464 0.780 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994256 746958108 /nfs/dbraw/zinc/95/81/08/746958108.db2.gz ZBJSKKYZSVKBJC-IKGGRYGDSA-N 2 1 331.464 0.780 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC000984803773 746960512 /nfs/dbraw/zinc/96/05/12/746960512.db2.gz JNAJXOSXXLVBPF-LUKYLMHMSA-N 2 1 348.491 0.742 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002125381 747006484 /nfs/dbraw/zinc/00/64/84/747006484.db2.gz JJQIWNQALOAPBB-SJORKVTESA-N 2 1 348.491 0.553 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000979085028 747151083 /nfs/dbraw/zinc/15/10/83/747151083.db2.gz DXGQOAFYYGRIRH-DDBAPUKQSA-N 2 1 333.476 0.661 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473358 747402717 /nfs/dbraw/zinc/40/27/17/747402717.db2.gz DZAFRJCQOAUAOM-HOTGVXAUSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088202273 747734894 /nfs/dbraw/zinc/73/48/94/747734894.db2.gz SFTUCKMODUOPRB-KSZLIROESA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239713 747935265 /nfs/dbraw/zinc/93/52/65/747935265.db2.gz DVBMWPHVCPOWGX-MSOLQXFVSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239713 747935270 /nfs/dbraw/zinc/93/52/70/747935270.db2.gz DVBMWPHVCPOWGX-MSOLQXFVSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239713 747935275 /nfs/dbraw/zinc/93/52/75/747935275.db2.gz DVBMWPHVCPOWGX-MSOLQXFVSA-N 2 1 333.476 0.901 20 30 ECEDMP CCc1nn(C)c(CC)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305301299 748346624 /nfs/dbraw/zinc/34/66/24/748346624.db2.gz HQZYGAOZBISRSH-UHFFFAOYSA-N 2 1 336.484 0.672 20 30 ECEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429989 748855610 /nfs/dbraw/zinc/85/56/10/748855610.db2.gz JPKWEYKIAGTYIV-SCTDSRPQSA-N 2 1 333.476 0.758 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429989 748855617 /nfs/dbraw/zinc/85/56/17/748855617.db2.gz JPKWEYKIAGTYIV-SCTDSRPQSA-N 2 1 333.476 0.758 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429989 748855620 /nfs/dbraw/zinc/85/56/20/748855620.db2.gz JPKWEYKIAGTYIV-SCTDSRPQSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CC1 ZINC000980252808 749258423 /nfs/dbraw/zinc/25/84/23/749258423.db2.gz JGRMKBJSDMLRKB-FGTMMUONSA-N 2 1 333.476 0.541 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnn(C)c3)C2)CC1 ZINC000980477189 749628812 /nfs/dbraw/zinc/62/88/12/749628812.db2.gz CJFOEADJNFLOMS-GOSISDBHSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@@H]3CCOC3)C2)CC1 ZINC000980479891 749642278 /nfs/dbraw/zinc/64/22/78/749642278.db2.gz YYGYQSNVDCMOHJ-WMZOPIPTSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153593 750106895 /nfs/dbraw/zinc/10/68/95/750106895.db2.gz NYXWFYMCFVHKRH-AWEZNQCLSA-N 2 1 347.463 0.758 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)[C@@H]2C)CC1 ZINC000987578947 750980832 /nfs/dbraw/zinc/98/08/32/750980832.db2.gz ZBGAHADGGSCFHK-DOTOQJQBSA-N 2 1 341.459 0.901 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001020928783 752350151 /nfs/dbraw/zinc/35/01/51/752350151.db2.gz LXXPOQYDXBPKGS-YHUYYLMFSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cccn2)CC1 ZINC001028333447 752402725 /nfs/dbraw/zinc/40/27/25/752402725.db2.gz LGITVQCMDMPLOK-SFHVURJKSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC001007518538 752474832 /nfs/dbraw/zinc/47/48/32/752474832.db2.gz CHOXXTAGZWQAKC-ROUUACIJSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(CCc2cnn(C)c2)C1 ZINC001007518538 752474833 /nfs/dbraw/zinc/47/48/33/752474833.db2.gz CHOXXTAGZWQAKC-ROUUACIJSA-N 2 1 343.475 0.641 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493412 762200874 /nfs/dbraw/zinc/20/08/74/762200874.db2.gz JUGJFPYYOOAODK-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC000989490881 754022977 /nfs/dbraw/zinc/02/29/77/754022977.db2.gz MAAZXVVKRTXWMC-MRXNPFEDSA-N 2 1 346.475 0.403 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC000989490881 754022982 /nfs/dbraw/zinc/02/29/82/754022982.db2.gz MAAZXVVKRTXWMC-MRXNPFEDSA-N 2 1 346.475 0.403 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000982921116 754200205 /nfs/dbraw/zinc/20/02/05/754200205.db2.gz GAVPDOUVWNWQMH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000982921116 754200214 /nfs/dbraw/zinc/20/02/14/754200214.db2.gz GAVPDOUVWNWQMH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000982921116 754200219 /nfs/dbraw/zinc/20/02/19/754200219.db2.gz GAVPDOUVWNWQMH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000982921116 754200223 /nfs/dbraw/zinc/20/02/23/754200223.db2.gz GAVPDOUVWNWQMH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@H]3CCOC3)CC2)CC1 ZINC000989734716 754365268 /nfs/dbraw/zinc/36/52/68/754365268.db2.gz AASLLBWBOWDAOG-QGZVFWFLSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@@H]2C1 ZINC001048869604 757236879 /nfs/dbraw/zinc/23/68/79/757236879.db2.gz AINPHMUDPWAPST-MHORFTMASA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2C1 ZINC001048869604 757236885 /nfs/dbraw/zinc/23/68/85/757236885.db2.gz AINPHMUDPWAPST-MHORFTMASA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](CC)OC)C[C@@H]2C1 ZINC001048869604 757236892 /nfs/dbraw/zinc/23/68/92/757236892.db2.gz AINPHMUDPWAPST-MHORFTMASA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](CC)OC)C[C@@H]2C1 ZINC001048869604 757236898 /nfs/dbraw/zinc/23/68/98/757236898.db2.gz AINPHMUDPWAPST-MHORFTMASA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C3([NH+](C)C)CCC3)nn2)C1 ZINC001107179652 757295596 /nfs/dbraw/zinc/29/55/96/757295596.db2.gz PBJZZFXHTJXARB-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179102 757355506 /nfs/dbraw/zinc/35/55/06/757355506.db2.gz BHGHDROURNMBTB-INIZCTEOSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001076916109 757583093 /nfs/dbraw/zinc/58/30/93/757583093.db2.gz ULSMSXCNILOZPS-DOTOQJQBSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076957884 757750706 /nfs/dbraw/zinc/75/07/06/757750706.db2.gz ORVCOMWHRUYKCS-XIRDDKMYSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076957884 757750713 /nfs/dbraw/zinc/75/07/13/757750713.db2.gz ORVCOMWHRUYKCS-XIRDDKMYSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049109051 757983342 /nfs/dbraw/zinc/98/33/42/757983342.db2.gz MYBHPEXRIHFMDG-CALCHBBNSA-N 2 1 329.448 0.472 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996684525 758467256 /nfs/dbraw/zinc/46/72/56/758467256.db2.gz KHQARDFPYFLKTR-ZBFHGGJFSA-N 2 1 344.463 0.554 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996684525 758467259 /nfs/dbraw/zinc/46/72/59/758467259.db2.gz KHQARDFPYFLKTR-ZBFHGGJFSA-N 2 1 344.463 0.554 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC000996687470 758474814 /nfs/dbraw/zinc/47/48/14/758474814.db2.gz WTWSHAFWNFUHLZ-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC000996687470 758474820 /nfs/dbraw/zinc/47/48/20/758474820.db2.gz WTWSHAFWNFUHLZ-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777663 758600155 /nfs/dbraw/zinc/60/01/55/758600155.db2.gz APUMDVXBOIBLDX-IRXDYDNUSA-N 2 1 328.416 0.627 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049518603 758847005 /nfs/dbraw/zinc/84/70/05/758847005.db2.gz UVMSXTXQLQDXCI-RCCFBDPRSA-N 2 1 343.475 0.902 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049518603 758847015 /nfs/dbraw/zinc/84/70/15/758847015.db2.gz UVMSXTXQLQDXCI-RCCFBDPRSA-N 2 1 343.475 0.902 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)CC2 ZINC001050551165 760478046 /nfs/dbraw/zinc/47/80/46/760478046.db2.gz QQGFLQHOKALSNZ-HOTGVXAUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)CC2 ZINC001050551165 760478051 /nfs/dbraw/zinc/47/80/51/760478051.db2.gz QQGFLQHOKALSNZ-HOTGVXAUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995924606 760786704 /nfs/dbraw/zinc/78/67/04/760786704.db2.gz QHXRVJBXKYWSEY-DLBZAZTESA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995924606 760786712 /nfs/dbraw/zinc/78/67/12/760786712.db2.gz QHXRVJBXKYWSEY-DLBZAZTESA-N 2 1 343.475 0.844 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035601 763643117 /nfs/dbraw/zinc/64/31/17/763643117.db2.gz FFTTYURPOKMBKV-OALUTQOASA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035601 763643124 /nfs/dbraw/zinc/64/31/24/763643124.db2.gz FFTTYURPOKMBKV-OALUTQOASA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001052037674 763656729 /nfs/dbraw/zinc/65/67/29/763656729.db2.gz PBOGKYGYCDJLRA-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001052037674 763656735 /nfs/dbraw/zinc/65/67/35/763656735.db2.gz PBOGKYGYCDJLRA-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068438 763762580 /nfs/dbraw/zinc/76/25/80/763762580.db2.gz IYRCAUATKPZJDH-MSOLQXFVSA-N 2 1 347.507 0.850 20 30 ECEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068438 763762584 /nfs/dbraw/zinc/76/25/84/763762584.db2.gz IYRCAUATKPZJDH-MSOLQXFVSA-N 2 1 347.507 0.850 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC000941604105 763817757 /nfs/dbraw/zinc/81/77/57/763817757.db2.gz SVZDXPRPALBTAL-UHFFFAOYSA-N 2 1 346.479 0.073 20 30 ECEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352213 768179820 /nfs/dbraw/zinc/17/98/20/768179820.db2.gz IVQRRKMEIXSEES-HUUCEWRRSA-N 2 1 348.447 0.684 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592350 764808622 /nfs/dbraw/zinc/80/86/22/764808622.db2.gz LACRERHQCWKKPY-ROUUACIJSA-N 2 1 333.476 0.635 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001052938504 765388103 /nfs/dbraw/zinc/38/81/03/765388103.db2.gz YRANJIWYHAEGBS-SJORKVTESA-N 2 1 348.491 0.840 20 30 ECEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455428 768325314 /nfs/dbraw/zinc/32/53/14/768325314.db2.gz STBXINOBPJUYFP-QCZOYZIOSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344082 768336629 /nfs/dbraw/zinc/33/66/29/768336629.db2.gz FSUMGIAVLIXNFA-HZPDHXFCSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)CC1 ZINC001016337204 766144670 /nfs/dbraw/zinc/14/46/70/766144670.db2.gz PYGPXNBZSTVANC-QGZVFWFLSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)ncn3)C2)CC1 ZINC001016337204 766144679 /nfs/dbraw/zinc/14/46/79/766144679.db2.gz PYGPXNBZSTVANC-QGZVFWFLSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@@H](C)O)C3)O2)CC1 ZINC001053699880 766618296 /nfs/dbraw/zinc/61/82/96/766618296.db2.gz KFFMGFNUBDFZHS-WBVHZDCISA-N 2 1 349.475 0.062 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028614 766691288 /nfs/dbraw/zinc/69/12/88/766691288.db2.gz CYHFWBFMCVIWCV-ZWKOTPCHSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028614 766691292 /nfs/dbraw/zinc/69/12/92/766691292.db2.gz CYHFWBFMCVIWCV-ZWKOTPCHSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028614 766691296 /nfs/dbraw/zinc/69/12/96/766691296.db2.gz CYHFWBFMCVIWCV-ZWKOTPCHSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001046066737 766854811 /nfs/dbraw/zinc/85/48/11/766854811.db2.gz PXWSSVLQXXWHJN-QGZVFWFLSA-N 2 1 343.475 0.858 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001046066737 766854820 /nfs/dbraw/zinc/85/48/20/766854820.db2.gz PXWSSVLQXXWHJN-QGZVFWFLSA-N 2 1 343.475 0.858 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073342 766885501 /nfs/dbraw/zinc/88/55/01/766885501.db2.gz BWFOFCIZIXDGAA-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CC(C)C)C3)C2)CC1 ZINC001054014462 767600508 /nfs/dbraw/zinc/60/05/08/767600508.db2.gz BCESBGLQXYDRQY-KRWDZBQOSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001018985269 770481201 /nfs/dbraw/zinc/48/12/01/770481201.db2.gz OSNSPUQMTXIPAU-IRXDYDNUSA-N 2 1 329.448 0.251 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001018985269 770481208 /nfs/dbraw/zinc/48/12/08/770481208.db2.gz OSNSPUQMTXIPAU-IRXDYDNUSA-N 2 1 329.448 0.251 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001089585295 771586329 /nfs/dbraw/zinc/58/63/29/771586329.db2.gz YXMKOEUBDLQFKI-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001089585295 771586330 /nfs/dbraw/zinc/58/63/30/771586330.db2.gz YXMKOEUBDLQFKI-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001020046232 772107916 /nfs/dbraw/zinc/10/79/16/772107916.db2.gz YKPHYVGWGZGIKK-BFYDXBDKSA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001020046232 772107919 /nfs/dbraw/zinc/10/79/19/772107919.db2.gz YKPHYVGWGZGIKK-BFYDXBDKSA-N 2 1 346.406 0.765 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001078468031 783005324 /nfs/dbraw/zinc/00/53/24/783005324.db2.gz VNWZSKXYRJSSFB-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC[C@H]1C ZINC001078468031 783005332 /nfs/dbraw/zinc/00/53/32/783005332.db2.gz VNWZSKXYRJSSFB-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCC[C@H]1C ZINC001078468031 783005339 /nfs/dbraw/zinc/00/53/39/783005339.db2.gz VNWZSKXYRJSSFB-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001020250969 772351524 /nfs/dbraw/zinc/35/15/24/772351524.db2.gz YLPIFQCEBLTCRE-ZOBUZTSGSA-N 2 1 329.448 0.563 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001020250969 772351531 /nfs/dbraw/zinc/35/15/31/772351531.db2.gz YLPIFQCEBLTCRE-ZOBUZTSGSA-N 2 1 329.448 0.563 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001020251238 772352630 /nfs/dbraw/zinc/35/26/30/772352630.db2.gz BVCXSDAYTJFGMG-VQHPVUNQSA-N 2 1 346.475 0.330 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001020251238 772352632 /nfs/dbraw/zinc/35/26/32/772352632.db2.gz BVCXSDAYTJFGMG-VQHPVUNQSA-N 2 1 346.475 0.330 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001078468031 783005316 /nfs/dbraw/zinc/00/53/16/783005316.db2.gz VNWZSKXYRJSSFB-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664365 775994277 /nfs/dbraw/zinc/99/42/77/775994277.db2.gz FXWMTPHXLQOPMT-IRXDYDNUSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664365 775994284 /nfs/dbraw/zinc/99/42/84/775994284.db2.gz FXWMTPHXLQOPMT-IRXDYDNUSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685604 776041528 /nfs/dbraw/zinc/04/15/28/776041528.db2.gz JNUWQUKKKHYQHF-SJORKVTESA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060134 790476588 /nfs/dbraw/zinc/47/65/88/790476588.db2.gz GBXNAFZAZSKMFU-SJORKVTESA-N 2 1 346.479 0.928 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060134 790476596 /nfs/dbraw/zinc/47/65/96/790476596.db2.gz GBXNAFZAZSKMFU-SJORKVTESA-N 2 1 346.479 0.928 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270206 780946113 /nfs/dbraw/zinc/94/61/13/780946113.db2.gz GVRDIFZNQODYKH-OKZBNKHCSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685204 781510649 /nfs/dbraw/zinc/51/06/49/781510649.db2.gz DMEYVBCZISGDAC-QZTJIDSGSA-N 2 1 329.444 0.589 20 30 ECEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488424 781616713 /nfs/dbraw/zinc/61/67/13/781616713.db2.gz HIHMWGQGBBYHEL-TXLGJMDYSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488424 781616715 /nfs/dbraw/zinc/61/67/15/781616715.db2.gz HIHMWGQGBBYHEL-TXLGJMDYSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488424 781616721 /nfs/dbraw/zinc/61/67/21/781616721.db2.gz HIHMWGQGBBYHEL-TXLGJMDYSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001040779391 783423927 /nfs/dbraw/zinc/42/39/27/783423927.db2.gz HZKKESLIAIEHHF-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196593 783637536 /nfs/dbraw/zinc/63/75/36/783637536.db2.gz GTVMLYXRJGMUQR-FPCVCCKLSA-N 2 1 332.452 0.536 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553790 784264264 /nfs/dbraw/zinc/26/42/64/784264264.db2.gz GNZSNDPDSYKTRP-YQQAZPJKSA-N 2 1 329.448 0.279 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896049 787464609 /nfs/dbraw/zinc/46/46/09/787464609.db2.gz JMSRDSGAQZAXDX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896049 787464615 /nfs/dbraw/zinc/46/46/15/787464615.db2.gz JMSRDSGAQZAXDX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896049 787464620 /nfs/dbraw/zinc/46/46/20/787464620.db2.gz JMSRDSGAQZAXDX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896049 787464626 /nfs/dbraw/zinc/46/46/26/787464626.db2.gz JMSRDSGAQZAXDX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896359 787466631 /nfs/dbraw/zinc/46/66/31/787466631.db2.gz QJOXVKJYXLFTEX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896359 787466635 /nfs/dbraw/zinc/46/66/35/787466635.db2.gz QJOXVKJYXLFTEX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896359 787466640 /nfs/dbraw/zinc/46/66/40/787466640.db2.gz QJOXVKJYXLFTEX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896359 787466645 /nfs/dbraw/zinc/46/66/45/787466645.db2.gz QJOXVKJYXLFTEX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072991503 789237708 /nfs/dbraw/zinc/23/77/08/789237708.db2.gz WFZXRXOBAKOVTN-JKSUJKDBSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267488375 837551139 /nfs/dbraw/zinc/55/11/39/837551139.db2.gz KZOXCDFDGLIOAC-INIZCTEOSA-N 2 1 348.491 0.697 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267488375 837551147 /nfs/dbraw/zinc/55/11/47/837551147.db2.gz KZOXCDFDGLIOAC-INIZCTEOSA-N 2 1 348.491 0.697 20 30 ECEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276091 837802715 /nfs/dbraw/zinc/80/27/15/837802715.db2.gz LXOHVZNSBFGAFQ-YESZJQIVSA-N 2 1 337.464 0.442 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276091 837802726 /nfs/dbraw/zinc/80/27/26/837802726.db2.gz LXOHVZNSBFGAFQ-YESZJQIVSA-N 2 1 337.464 0.442 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C2CC2)CC1 ZINC001266445331 835848945 /nfs/dbraw/zinc/84/89/45/835848945.db2.gz OUTMBIMBPKEDEL-MRXNPFEDSA-N 2 1 344.463 0.443 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266614333 836047855 /nfs/dbraw/zinc/04/78/55/836047855.db2.gz AZEJFQKIJLKIKT-QRJUGERDSA-N 2 1 334.464 0.091 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](CCNC(=O)C[NH+]2CCCC2)C2CC2)C1=O ZINC001266619514 836056921 /nfs/dbraw/zinc/05/69/21/836056921.db2.gz QROQMADUIFDPQX-MRXNPFEDSA-N 2 1 334.464 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CCNC(=O)C[NH+]2CCCC2)C2CC2)C1=O ZINC001266619514 836056935 /nfs/dbraw/zinc/05/69/35/836056935.db2.gz QROQMADUIFDPQX-MRXNPFEDSA-N 2 1 334.464 0.450 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001266706684 836175230 /nfs/dbraw/zinc/17/52/30/836175230.db2.gz ZLYYUWTUWBVGSE-HNNXBMFYSA-N 2 1 348.451 0.140 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001266706684 836175237 /nfs/dbraw/zinc/17/52/37/836175237.db2.gz ZLYYUWTUWBVGSE-HNNXBMFYSA-N 2 1 348.451 0.140 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266903392 836459860 /nfs/dbraw/zinc/45/98/60/836459860.db2.gz JZAKESBGYPWJDU-FIDHJVLJSA-N 2 1 348.491 0.291 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](N(CC)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001267790972 838570394 /nfs/dbraw/zinc/57/03/94/838570394.db2.gz UDAHUVXEKKYWIO-IRXDYDNUSA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267928937 838806365 /nfs/dbraw/zinc/80/63/65/838806365.db2.gz HGFBKHLXFUOMEC-JYJNAYRXSA-N 2 1 336.480 0.647 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc2c1OCCCO2 ZINC000119579553 254494441 /nfs/dbraw/zinc/49/44/41/254494441.db2.gz VPAVCIMAKCVLRJ-UHFFFAOYSA-N 2 1 348.447 0.975 20 30 ECEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000329280674 290086690 /nfs/dbraw/zinc/08/66/90/290086690.db2.gz MEGKAVUFWGLGLF-IJEWVQPXSA-N 2 1 344.525 0.725 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000190004710 437618007 /nfs/dbraw/zinc/61/80/07/437618007.db2.gz KBSXBWMLAOTSFC-HUUCEWRRSA-N 2 1 340.468 0.725 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000190004710 437618012 /nfs/dbraw/zinc/61/80/12/437618012.db2.gz KBSXBWMLAOTSFC-HUUCEWRRSA-N 2 1 340.468 0.725 20 30 ECEDMP C[C@@H]1C[NH+]=C(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)N1 ZINC000262669747 436940960 /nfs/dbraw/zinc/94/09/60/436940960.db2.gz QLWGLSXPLTUUOV-CQSZACIVSA-N 2 1 345.447 0.785 20 30 ECEDMP CCNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264067113 437016011 /nfs/dbraw/zinc/01/60/11/437016011.db2.gz BQMHDVXTXWRKRK-UHFFFAOYSA-N 2 1 333.436 0.772 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000286745400 437126797 /nfs/dbraw/zinc/12/67/97/437126797.db2.gz SIZUSXZABKFIRS-UHFFFAOYSA-N 2 1 347.463 0.855 20 30 ECEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000266941306 437269371 /nfs/dbraw/zinc/26/93/71/437269371.db2.gz RFUYZMQNZVORJM-UHFFFAOYSA-N 2 1 343.475 0.744 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1ccc(C#N)cc1 ZINC000266941306 437269375 /nfs/dbraw/zinc/26/93/75/437269375.db2.gz RFUYZMQNZVORJM-UHFFFAOYSA-N 2 1 343.475 0.744 20 30 ECEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329808717 437416817 /nfs/dbraw/zinc/41/68/17/437416817.db2.gz PMTRMBMBAJLFOY-UKRRQHHQSA-N 2 1 337.468 0.137 20 30 ECEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329808717 437416821 /nfs/dbraw/zinc/41/68/21/437416821.db2.gz PMTRMBMBAJLFOY-UKRRQHHQSA-N 2 1 337.468 0.137 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000339592287 437475112 /nfs/dbraw/zinc/47/51/12/437475112.db2.gz FHVCJLCWTHIDRH-OAHLLOKOSA-N 2 1 348.447 0.765 20 30 ECEDMP C=CCn1cc(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)nn1 ZINC000425869910 438047687 /nfs/dbraw/zinc/04/76/87/438047687.db2.gz GIKJRMJQQGHCSC-UHFFFAOYSA-N 2 1 349.483 0.632 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378425736 438384564 /nfs/dbraw/zinc/38/45/64/438384564.db2.gz GNMMURFVUYFWCH-UHFFFAOYSA-N 2 1 338.452 0.433 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413234903 438691825 /nfs/dbraw/zinc/69/18/25/438691825.db2.gz ISRASNHYIWQWGE-CQSZACIVSA-N 2 1 338.452 0.383 20 30 ECEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250354 439605960 /nfs/dbraw/zinc/60/59/60/439605960.db2.gz VZAZWVSGZUARIS-IAGOWNOFSA-N 2 1 335.496 0.847 20 30 ECEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250354 439605964 /nfs/dbraw/zinc/60/59/64/439605964.db2.gz VZAZWVSGZUARIS-IAGOWNOFSA-N 2 1 335.496 0.847 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000574566234 322781349 /nfs/dbraw/zinc/78/13/49/322781349.db2.gz NOXRVYFCKCYODR-MRXNPFEDSA-N 2 1 346.431 0.052 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000834500951 588903958 /nfs/dbraw/zinc/90/39/58/588903958.db2.gz YKXQNPUFKRSDQC-IAGOWNOFSA-N 2 1 327.432 0.032 20 30 ECEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000818970688 587462535 /nfs/dbraw/zinc/46/25/35/587462535.db2.gz PINNSSFWIJAXJH-INIZCTEOSA-N 2 1 328.420 0.872 20 30 ECEDMP C#C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000827566436 588128507 /nfs/dbraw/zinc/12/85/07/588128507.db2.gz VHSUFVQDTSTVKZ-QGZVFWFLSA-N 2 1 329.448 0.746 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCCC(C)(C)C1 ZINC000849105484 589320441 /nfs/dbraw/zinc/32/04/41/589320441.db2.gz MTUTXLMQOQTIAG-UHFFFAOYSA-N 2 1 325.501 0.606 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000890361722 591150506 /nfs/dbraw/zinc/15/05/06/591150506.db2.gz YLDOUXQEGREYRP-KRWDZBQOSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000890361722 591150508 /nfs/dbraw/zinc/15/05/08/591150508.db2.gz YLDOUXQEGREYRP-KRWDZBQOSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC1(O)CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000931151100 611511782 /nfs/dbraw/zinc/51/17/82/611511782.db2.gz MRSMGTQESTTYON-KRWDZBQOSA-N 2 1 329.444 0.866 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CC#CC)CCO2 ZINC000949389136 608665647 /nfs/dbraw/zinc/66/56/47/608665647.db2.gz UKZHWBPGRSQBQC-SFHVURJKSA-N 2 1 343.471 0.801 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CN(CC#CC)CCO2 ZINC000949389136 608665650 /nfs/dbraw/zinc/66/56/50/608665650.db2.gz UKZHWBPGRSQBQC-SFHVURJKSA-N 2 1 343.471 0.801 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000947230941 608826032 /nfs/dbraw/zinc/82/60/32/608826032.db2.gz YNTKSDZEQFULDT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000947230941 608826036 /nfs/dbraw/zinc/82/60/36/608826036.db2.gz YNTKSDZEQFULDT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000947230941 608826040 /nfs/dbraw/zinc/82/60/40/608826040.db2.gz YNTKSDZEQFULDT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000947230941 608826042 /nfs/dbraw/zinc/82/60/42/608826042.db2.gz YNTKSDZEQFULDT-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](CC2CC2)CC1 ZINC000178988235 608844268 /nfs/dbraw/zinc/84/42/68/608844268.db2.gz FGBNMJHWUVKCLA-QGZVFWFLSA-N 2 1 334.512 0.026 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000938170875 609482522 /nfs/dbraw/zinc/48/25/22/609482522.db2.gz QQSAQSYPFSZQCV-YESZJQIVSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000938170875 609482524 /nfs/dbraw/zinc/48/25/24/609482524.db2.gz QQSAQSYPFSZQCV-YESZJQIVSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nncs3)[C@@H](C)C2)CC1 ZINC000939807725 610136025 /nfs/dbraw/zinc/13/60/25/610136025.db2.gz AAJNSWIBIPFSJJ-ZFWWWQNUSA-N 2 1 347.488 0.820 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941433135 610313236 /nfs/dbraw/zinc/31/32/36/610313236.db2.gz ODYJKNHLAJHMEX-KRWDZBQOSA-N 2 1 334.508 0.979 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433135 610313238 /nfs/dbraw/zinc/31/32/38/610313238.db2.gz ODYJKNHLAJHMEX-KRWDZBQOSA-N 2 1 334.508 0.979 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC=C)C2)CC1 ZINC000941440925 610316584 /nfs/dbraw/zinc/31/65/84/610316584.db2.gz XLDQWNPVGFNQHO-SFHVURJKSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC=C)C2)CC1 ZINC000941440925 610316585 /nfs/dbraw/zinc/31/65/85/610316585.db2.gz XLDQWNPVGFNQHO-SFHVURJKSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CCN1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456526 610318826 /nfs/dbraw/zinc/31/88/26/610318826.db2.gz QUFXYFMBVYMJRS-SJLPKXTDSA-N 2 1 330.476 0.465 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941594905 610389933 /nfs/dbraw/zinc/38/99/33/610389933.db2.gz COWVZGSCNILGND-UHFFFAOYSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000941606829 610405198 /nfs/dbraw/zinc/40/51/98/610405198.db2.gz CBJKVKJETMPOAW-UHFFFAOYSA-N 2 1 336.480 0.113 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000944151396 610767269 /nfs/dbraw/zinc/76/72/69/610767269.db2.gz LKWMFUCILNQNKA-IKGGRYGDSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000944151396 610767271 /nfs/dbraw/zinc/76/72/71/610767271.db2.gz LKWMFUCILNQNKA-IKGGRYGDSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000922345849 611347491 /nfs/dbraw/zinc/34/74/91/611347491.db2.gz DFDOTJKJFYUVCR-UHFFFAOYSA-N 2 1 349.523 0.751 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC000949189310 611894331 /nfs/dbraw/zinc/89/43/31/611894331.db2.gz PKRRLBRXTJSQJF-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407571 731814829 /nfs/dbraw/zinc/81/48/29/731814829.db2.gz KRNGCEMIOBJCCJ-IQXANGCESA-N 2 1 325.840 0.793 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980304 790274273 /nfs/dbraw/zinc/27/42/73/790274273.db2.gz NBCNBCMZSBANMG-CVEARBPZSA-N 2 1 343.435 0.791 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980304 790274275 /nfs/dbraw/zinc/27/42/75/790274275.db2.gz NBCNBCMZSBANMG-CVEARBPZSA-N 2 1 343.435 0.791 20 30 ECEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834463 782305319 /nfs/dbraw/zinc/30/53/19/782305319.db2.gz DCSRRWFFCNIKHL-PKOBYXMFSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023373817 736747416 /nfs/dbraw/zinc/74/74/16/736747416.db2.gz DZLAESKDXFIVNS-MRXNPFEDSA-N 2 1 331.464 0.910 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CC(=O)NC2CC2)C1 ZINC001023423967 736806762 /nfs/dbraw/zinc/80/67/62/736806762.db2.gz KVBMSPGUURWJEO-RDJZCZTQSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001023424475 736813422 /nfs/dbraw/zinc/81/34/22/736813422.db2.gz ZNIWRSJGHVVUPK-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC001023424475 736813426 /nfs/dbraw/zinc/81/34/26/736813426.db2.gz ZNIWRSJGHVVUPK-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cnn(C)c2)C1 ZINC001023424475 736813430 /nfs/dbraw/zinc/81/34/30/736813430.db2.gz ZNIWRSJGHVVUPK-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cnn(C)c2)C1 ZINC001023424475 736813435 /nfs/dbraw/zinc/81/34/35/736813435.db2.gz ZNIWRSJGHVVUPK-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578549 737075515 /nfs/dbraw/zinc/07/55/15/737075515.db2.gz XGASZCDRFYVUPY-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578549 737075520 /nfs/dbraw/zinc/07/55/20/737075520.db2.gz XGASZCDRFYVUPY-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024022394 737627215 /nfs/dbraw/zinc/62/72/15/737627215.db2.gz XEFMSRSAVURTJC-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001024022394 737627220 /nfs/dbraw/zinc/62/72/20/737627220.db2.gz XEFMSRSAVURTJC-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001024022333 737627341 /nfs/dbraw/zinc/62/73/41/737627341.db2.gz UMEIERSJVLUQCL-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001024022333 737627343 /nfs/dbraw/zinc/62/73/43/737627343.db2.gz UMEIERSJVLUQCL-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](C)OC)C[C@@H]32)CC1 ZINC001083283704 739745075 /nfs/dbraw/zinc/74/50/75/739745075.db2.gz OTIYXURVJTVOPU-RYQLBKOJSA-N 2 1 349.475 0.278 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001025629556 739794471 /nfs/dbraw/zinc/79/44/71/739794471.db2.gz IIOURKYKNMKMFN-WMZOPIPTSA-N 2 1 335.492 0.931 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008147 790310557 /nfs/dbraw/zinc/31/05/57/790310557.db2.gz SOTMOJORLZPLRN-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008147 790310558 /nfs/dbraw/zinc/31/05/58/790310558.db2.gz SOTMOJORLZPLRN-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008147 790310564 /nfs/dbraw/zinc/31/05/64/790310564.db2.gz SOTMOJORLZPLRN-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070008147 790310569 /nfs/dbraw/zinc/31/05/69/790310569.db2.gz SOTMOJORLZPLRN-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCO)CC2)C1 ZINC001098604788 740178290 /nfs/dbraw/zinc/17/82/90/740178290.db2.gz ASMPRUTYYONJNZ-IRXDYDNUSA-N 2 1 349.475 0.158 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CCO)CC2)C1 ZINC001098604788 740178294 /nfs/dbraw/zinc/17/82/94/740178294.db2.gz ASMPRUTYYONJNZ-IRXDYDNUSA-N 2 1 349.475 0.158 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268193 741609665 /nfs/dbraw/zinc/60/96/65/741609665.db2.gz DIQLLVGATZEBIF-CZUORRHYSA-N 2 1 348.451 0.046 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105272581 741617923 /nfs/dbraw/zinc/61/79/23/741617923.db2.gz NEGCRCBWKQAMOP-UHFFFAOYSA-N 2 1 332.452 0.505 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150608 751656326 /nfs/dbraw/zinc/65/63/26/751656326.db2.gz MBCKVODQOYRFJL-QGZVFWFLSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997624547 743716954 /nfs/dbraw/zinc/71/69/54/743716954.db2.gz TXVUIDSHLVJCIV-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000997624547 743716955 /nfs/dbraw/zinc/71/69/55/743716955.db2.gz TXVUIDSHLVJCIV-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999970264 745117757 /nfs/dbraw/zinc/11/77/57/745117757.db2.gz AYQDVJQEHNDEIR-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999970264 745117762 /nfs/dbraw/zinc/11/77/62/745117762.db2.gz AYQDVJQEHNDEIR-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970264 745117763 /nfs/dbraw/zinc/11/77/63/745117763.db2.gz AYQDVJQEHNDEIR-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970264 745117768 /nfs/dbraw/zinc/11/77/68/745117768.db2.gz AYQDVJQEHNDEIR-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045848 745226361 /nfs/dbraw/zinc/22/63/61/745226361.db2.gz RDRQQJDNNBBILK-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045848 745226368 /nfs/dbraw/zinc/22/63/68/745226368.db2.gz RDRQQJDNNBBILK-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045848 745226376 /nfs/dbraw/zinc/22/63/76/745226376.db2.gz RDRQQJDNNBBILK-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158614 745299075 /nfs/dbraw/zinc/29/90/75/745299075.db2.gz VKYPUGLILWBJDS-SJORKVTESA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660155 745353810 /nfs/dbraw/zinc/35/38/10/745353810.db2.gz YNXCIQQTQFUONT-JKSUJKDBSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660155 745353816 /nfs/dbraw/zinc/35/38/16/745353816.db2.gz YNXCIQQTQFUONT-JKSUJKDBSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000977921367 745650684 /nfs/dbraw/zinc/65/06/84/745650684.db2.gz SDPDASOPCPNUJB-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C[NH+]1CCCC1 ZINC000977921367 745650689 /nfs/dbraw/zinc/65/06/89/745650689.db2.gz SDPDASOPCPNUJB-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027681704 746800214 /nfs/dbraw/zinc/80/02/14/746800214.db2.gz AWFOCZSSKYPBCW-SJORKVTESA-N 2 1 348.491 0.792 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001002473360 747402767 /nfs/dbraw/zinc/40/27/67/747402767.db2.gz DZAFRJCQOAUAOM-JKSUJKDBSA-N 2 1 334.464 0.448 20 30 ECEDMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000303908241 748177303 /nfs/dbraw/zinc/17/73/03/748177303.db2.gz XJILRHSWMVZYTM-HOTGVXAUSA-N 2 1 325.501 0.733 20 30 ECEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303908241 748177304 /nfs/dbraw/zinc/17/73/04/748177304.db2.gz XJILRHSWMVZYTM-HOTGVXAUSA-N 3 1 325.501 0.733 20 30 ECEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000303908241 748177307 /nfs/dbraw/zinc/17/73/07/748177307.db2.gz XJILRHSWMVZYTM-HOTGVXAUSA-N 3 1 325.501 0.733 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029909346 749560622 /nfs/dbraw/zinc/56/06/22/749560622.db2.gz LKRRVWXDTROIET-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262822511 749851615 /nfs/dbraw/zinc/85/16/15/749851615.db2.gz XJBACJVDUCGLLL-UHFFFAOYSA-N 2 1 349.454 0.985 20 30 ECEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262822511 749851619 /nfs/dbraw/zinc/85/16/19/749851619.db2.gz XJBACJVDUCGLLL-UHFFFAOYSA-N 2 1 349.454 0.985 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261702538 752382466 /nfs/dbraw/zinc/38/24/66/752382466.db2.gz JKQIRJSNTRWQOQ-DLBZAZTESA-N 2 1 334.512 0.122 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493411 762199747 /nfs/dbraw/zinc/19/97/47/762199747.db2.gz JUGJFPYYOOAODK-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989480597 754016320 /nfs/dbraw/zinc/01/63/20/754016320.db2.gz IYJZBQSPIWSXFZ-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480597 754016323 /nfs/dbraw/zinc/01/63/23/754016323.db2.gz IYJZBQSPIWSXFZ-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480597 754016326 /nfs/dbraw/zinc/01/63/26/754016326.db2.gz IYJZBQSPIWSXFZ-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480597 754016330 /nfs/dbraw/zinc/01/63/30/754016330.db2.gz IYJZBQSPIWSXFZ-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989661007 754269215 /nfs/dbraw/zinc/26/92/15/754269215.db2.gz FDTDHHOFMAIIND-JKSUJKDBSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661007 754269217 /nfs/dbraw/zinc/26/92/17/754269217.db2.gz FDTDHHOFMAIIND-JKSUJKDBSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661007 754269222 /nfs/dbraw/zinc/26/92/22/754269222.db2.gz FDTDHHOFMAIIND-JKSUJKDBSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661007 754269225 /nfs/dbraw/zinc/26/92/25/754269225.db2.gz FDTDHHOFMAIIND-JKSUJKDBSA-N 2 1 334.464 0.259 20 30 ECEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862509 757215684 /nfs/dbraw/zinc/21/56/84/757215684.db2.gz WVUXWUPSXFJINA-IXDOHACOSA-N 2 1 329.448 0.227 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862509 757215688 /nfs/dbraw/zinc/21/56/88/757215688.db2.gz WVUXWUPSXFJINA-IXDOHACOSA-N 2 1 329.448 0.227 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001022163931 758363841 /nfs/dbraw/zinc/36/38/41/758363841.db2.gz BYSWQOJGNYEXPN-YVSFHVDLSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235074 758403020 /nfs/dbraw/zinc/40/30/20/758403020.db2.gz KSRAUHSTFANAMI-YTQUADARSA-N 2 1 345.487 0.758 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1 ZINC001022220933 758441515 /nfs/dbraw/zinc/44/15/15/758441515.db2.gz UQMFSQJPBYRPED-TWMKSMIVSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1 ZINC001022220933 758441520 /nfs/dbraw/zinc/44/15/20/758441520.db2.gz UQMFSQJPBYRPED-TWMKSMIVSA-N 2 1 344.459 0.108 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC001022711980 759025878 /nfs/dbraw/zinc/02/58/78/759025878.db2.gz HQOUPNMUUNEUDR-LVQVYYBASA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001022715726 759030456 /nfs/dbraw/zinc/03/04/56/759030456.db2.gz LAEWNBUMBFORSR-LVQVYYBASA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2O)CC1 ZINC001047638117 759370917 /nfs/dbraw/zinc/37/09/17/759370917.db2.gz CETSPCMZYNRBGD-NJAFHUGGSA-N 2 1 335.492 0.881 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001050333034 760140816 /nfs/dbraw/zinc/14/08/16/760140816.db2.gz NOAHWMGUTPKHLL-VQHPVUNQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001050333034 760140820 /nfs/dbraw/zinc/14/08/20/760140820.db2.gz NOAHWMGUTPKHLL-VQHPVUNQSA-N 2 1 346.475 0.237 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001077583551 760413232 /nfs/dbraw/zinc/41/32/32/760413232.db2.gz AMGOAGWSTZGVIZ-DJIMGWMZSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583551 760413253 /nfs/dbraw/zinc/41/32/53/760413253.db2.gz AMGOAGWSTZGVIZ-DJIMGWMZSA-N 2 1 332.448 0.881 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444002 760908845 /nfs/dbraw/zinc/90/88/45/760908845.db2.gz GLMSRETZWOICHE-QZTJIDSGSA-N 2 1 329.444 0.589 20 30 ECEDMP C[NH+](C)CC#CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000913520470 761049197 /nfs/dbraw/zinc/04/91/97/761049197.db2.gz QEHIIUXSNXHSOS-SFHVURJKSA-N 2 1 329.444 0.866 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001106274621 768048180 /nfs/dbraw/zinc/04/81/80/768048180.db2.gz NTOGUKDFRIYZEW-KBUPBQIOSA-N 2 1 345.447 0.500 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014453859 762710548 /nfs/dbraw/zinc/71/05/48/762710548.db2.gz UNIZPMGCFMXLRP-KSZLIROESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850007 763228283 /nfs/dbraw/zinc/22/82/83/763228283.db2.gz NHRKFENCDGKRCA-LPHOPBHVSA-N 2 1 333.476 0.949 20 30 ECEDMP N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052029045 763624890 /nfs/dbraw/zinc/62/48/90/763624890.db2.gz WVZWADHFIUBQIZ-DLBZAZTESA-N 2 1 331.464 0.070 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031782 763633527 /nfs/dbraw/zinc/63/35/27/763633527.db2.gz WRCZPLKKXKYDPP-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031782 763633531 /nfs/dbraw/zinc/63/35/31/763633531.db2.gz WRCZPLKKXKYDPP-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040723 763663694 /nfs/dbraw/zinc/66/36/94/763663694.db2.gz GEMQNHGMXQWYAB-IAGOWNOFSA-N 2 1 333.480 0.603 20 30 ECEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040723 763663696 /nfs/dbraw/zinc/66/36/96/763663696.db2.gz GEMQNHGMXQWYAB-IAGOWNOFSA-N 2 1 333.480 0.603 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccnc3C)C2)CC1 ZINC001016337608 766145450 /nfs/dbraw/zinc/14/54/50/766145450.db2.gz SDFRNJZYNGQPSV-KRWDZBQOSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccnc3C)C2)CC1 ZINC001016337608 766145458 /nfs/dbraw/zinc/14/54/58/766145458.db2.gz SDFRNJZYNGQPSV-KRWDZBQOSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nccnc3C)C2)CC1 ZINC001016337609 766145509 /nfs/dbraw/zinc/14/55/09/766145509.db2.gz SDFRNJZYNGQPSV-QGZVFWFLSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nccnc3C)C2)CC1 ZINC001016337609 766145513 /nfs/dbraw/zinc/14/55/13/766145513.db2.gz SDFRNJZYNGQPSV-QGZVFWFLSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338032 766145672 /nfs/dbraw/zinc/14/56/72/766145672.db2.gz VEBRWLIAVSTWIO-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338032 766145677 /nfs/dbraw/zinc/14/56/77/766145677.db2.gz VEBRWLIAVSTWIO-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001045943006 766513951 /nfs/dbraw/zinc/51/39/51/766513951.db2.gz DXFLTLIZGKVUEJ-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001045943006 766513953 /nfs/dbraw/zinc/51/39/53/766513953.db2.gz DXFLTLIZGKVUEJ-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCO)C2)C1 ZINC001045943006 766513957 /nfs/dbraw/zinc/51/39/57/766513957.db2.gz DXFLTLIZGKVUEJ-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CCO)C2)C1 ZINC001045943006 766513958 /nfs/dbraw/zinc/51/39/58/766513958.db2.gz DXFLTLIZGKVUEJ-PKOBYXMFSA-N 2 1 333.476 0.781 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014491 766646254 /nfs/dbraw/zinc/64/62/54/766646254.db2.gz YDUYRCVOXVNHJE-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014491 766646258 /nfs/dbraw/zinc/64/62/58/766646258.db2.gz YDUYRCVOXVNHJE-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014491 766646260 /nfs/dbraw/zinc/64/62/60/766646260.db2.gz YDUYRCVOXVNHJE-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014491 766646263 /nfs/dbraw/zinc/64/62/63/766646263.db2.gz YDUYRCVOXVNHJE-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035103 766718225 /nfs/dbraw/zinc/71/82/25/766718225.db2.gz DLQJQUQVQZWZPJ-QZTJIDSGSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047845 766778837 /nfs/dbraw/zinc/77/88/37/766778837.db2.gz YVOPIJOVPIINDZ-RTBURBONSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064218 766841921 /nfs/dbraw/zinc/84/19/21/766841921.db2.gz IJXBRTSPEZVHSV-QGZVFWFLSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064218 766841930 /nfs/dbraw/zinc/84/19/30/766841930.db2.gz IJXBRTSPEZVHSV-QGZVFWFLSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064218 766841941 /nfs/dbraw/zinc/84/19/41/766841941.db2.gz IJXBRTSPEZVHSV-QGZVFWFLSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046074123 766889603 /nfs/dbraw/zinc/88/96/03/766889603.db2.gz SKFXCXQVNLSNNE-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCO)CC1 ZINC001089736364 767137365 /nfs/dbraw/zinc/13/73/65/767137365.db2.gz VYYBNCVTFRWBMI-QGZVFWFLSA-N 2 1 335.492 0.931 20 30 ECEDMP C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001018266446 769000935 /nfs/dbraw/zinc/00/09/35/769000935.db2.gz OJEVELVQIJQZBB-NXOAAHMSSA-N 2 1 346.475 0.400 20 30 ECEDMP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055579752 769177791 /nfs/dbraw/zinc/17/77/91/769177791.db2.gz KIKMRPLUEAMJLZ-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1)[NH+](C)C ZINC001055594712 769209797 /nfs/dbraw/zinc/20/97/97/769209797.db2.gz KXNIHZCXBMKDDU-DZGCQCFKSA-N 2 1 337.468 0.183 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046927334 770380344 /nfs/dbraw/zinc/38/03/44/770380344.db2.gz XIDWFNMDNOGCHW-UONOGXRCSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046927334 770380348 /nfs/dbraw/zinc/38/03/48/770380348.db2.gz XIDWFNMDNOGCHW-UONOGXRCSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927334 770380358 /nfs/dbraw/zinc/38/03/58/770380358.db2.gz XIDWFNMDNOGCHW-UONOGXRCSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927334 770380368 /nfs/dbraw/zinc/38/03/68/770380368.db2.gz XIDWFNMDNOGCHW-UONOGXRCSA-N 2 1 331.407 0.967 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001018985794 770484431 /nfs/dbraw/zinc/48/44/31/770484431.db2.gz GEWHQFXOZZWSHA-JYJNAYRXSA-N 2 1 342.447 0.054 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001018985794 770484434 /nfs/dbraw/zinc/48/44/34/770484434.db2.gz GEWHQFXOZZWSHA-JYJNAYRXSA-N 2 1 342.447 0.054 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nncn3C)C2)CC1 ZINC001019816138 771831630 /nfs/dbraw/zinc/83/16/30/771831630.db2.gz SOEIYOSMRUVCHV-HOCLYGCPSA-N 2 1 344.463 0.412 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020250557 772350809 /nfs/dbraw/zinc/35/08/09/772350809.db2.gz IKDVLYFBGNAHFC-VGWMRTNUSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001020250557 772350817 /nfs/dbraw/zinc/35/08/17/772350817.db2.gz IKDVLYFBGNAHFC-VGWMRTNUSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001042268224 783011327 /nfs/dbraw/zinc/01/13/27/783011327.db2.gz ZQUQXGBURFFVRY-WBVHZDCISA-N 2 1 329.448 0.614 20 30 ECEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488426 781616404 /nfs/dbraw/zinc/61/64/04/781616404.db2.gz HIHMWGQGBBYHEL-YDXUJSMASA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488426 781616407 /nfs/dbraw/zinc/61/64/07/781616407.db2.gz HIHMWGQGBBYHEL-YDXUJSMASA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488426 781616413 /nfs/dbraw/zinc/61/64/13/781616413.db2.gz HIHMWGQGBBYHEL-YDXUJSMASA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070921894 784120495 /nfs/dbraw/zinc/12/04/95/784120495.db2.gz RWBRPRGCGOHMAA-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070921894 784120500 /nfs/dbraw/zinc/12/05/00/784120500.db2.gz RWBRPRGCGOHMAA-CVEARBPZSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC)C1 ZINC001070502352 784199164 /nfs/dbraw/zinc/19/91/64/784199164.db2.gz LRQLVIUMSUXPCT-JQHSSLGASA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC)C1 ZINC001070502352 784199167 /nfs/dbraw/zinc/19/91/67/784199167.db2.gz LRQLVIUMSUXPCT-JQHSSLGASA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@@H+](C(C)C)CC2)CC1 ZINC001071021796 784443090 /nfs/dbraw/zinc/44/30/90/784443090.db2.gz HASKNFDIOWATLS-UHFFFAOYSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@H+](C(C)C)CC2)CC1 ZINC001071021796 784443098 /nfs/dbraw/zinc/44/30/98/784443098.db2.gz HASKNFDIOWATLS-UHFFFAOYSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001071056795 784494025 /nfs/dbraw/zinc/49/40/25/784494025.db2.gz NGFZFBNDRDOTJK-DDBAPUKQSA-N 2 1 333.476 0.946 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070657720 784510553 /nfs/dbraw/zinc/51/05/53/784510553.db2.gz HINWLLKZHLSMOM-BRWVUGGUSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227871 784786808 /nfs/dbraw/zinc/78/68/08/784786808.db2.gz LIOOYOYHCHEKKD-LPHOPBHVSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227870 784786863 /nfs/dbraw/zinc/78/68/63/784786863.db2.gz LIOOYOYHCHEKKD-APWZRJJASA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001071243829 784821122 /nfs/dbraw/zinc/82/11/22/784821122.db2.gz LYYDYQGLKBIJQB-VQIMIIECSA-N 2 1 349.475 0.016 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NC)C2)CC1 ZINC001072095857 785661066 /nfs/dbraw/zinc/66/10/66/785661066.db2.gz PEMLJKRVIVABSK-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NC)C2)CC1 ZINC001072095857 785661070 /nfs/dbraw/zinc/66/10/70/785661070.db2.gz PEMLJKRVIVABSK-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813324 788863397 /nfs/dbraw/zinc/86/33/97/788863397.db2.gz MTQAXCZHNXKKJD-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813324 788863409 /nfs/dbraw/zinc/86/34/09/788863409.db2.gz MTQAXCZHNXKKJD-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072822928 788891221 /nfs/dbraw/zinc/89/12/21/788891221.db2.gz WUEWQMHBGGVPLT-HOTGVXAUSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072822928 788891236 /nfs/dbraw/zinc/89/12/36/788891236.db2.gz WUEWQMHBGGVPLT-HOTGVXAUSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072822928 788891249 /nfs/dbraw/zinc/89/12/49/788891249.db2.gz WUEWQMHBGGVPLT-HOTGVXAUSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)N(C)C)C2 ZINC001072822928 788891259 /nfs/dbraw/zinc/89/12/59/788891259.db2.gz WUEWQMHBGGVPLT-HOTGVXAUSA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928948 790201493 /nfs/dbraw/zinc/20/14/93/790201493.db2.gz NBOZAUGAFJIPCS-BBWFWOEESA-N 2 1 344.463 0.538 20 30 ECEDMP C=CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267455405 837440688 /nfs/dbraw/zinc/44/06/88/837440688.db2.gz ZGGKWCXXXFAKQO-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557598 837765327 /nfs/dbraw/zinc/76/53/27/837765327.db2.gz IXEZDMZWZLMLMZ-HZPDHXFCSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267557598 837765333 /nfs/dbraw/zinc/76/53/33/837765333.db2.gz IXEZDMZWZLMLMZ-HZPDHXFCSA-N 2 1 349.479 0.329 20 30 ECEDMP C[NH+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267557598 837765339 /nfs/dbraw/zinc/76/53/39/837765339.db2.gz IXEZDMZWZLMLMZ-HZPDHXFCSA-N 2 1 349.479 0.329 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266751058 836243508 /nfs/dbraw/zinc/24/35/08/836243508.db2.gz BBRGSVXFEDADSQ-IAGOWNOFSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266751058 836243515 /nfs/dbraw/zinc/24/35/15/836243515.db2.gz BBRGSVXFEDADSQ-IAGOWNOFSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266751058 836243519 /nfs/dbraw/zinc/24/35/19/836243519.db2.gz BBRGSVXFEDADSQ-IAGOWNOFSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266871124 836416753 /nfs/dbraw/zinc/41/67/53/836416753.db2.gz SZFCHXDGASSTOE-CVEARBPZSA-N 2 1 334.464 0.191 20 30 ECEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001267001332 836591594 /nfs/dbraw/zinc/59/15/94/836591594.db2.gz NSJJNKHBJQFWHJ-HNNXBMFYSA-N 2 1 347.463 0.863 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267596923 837902399 /nfs/dbraw/zinc/90/23/99/837902399.db2.gz RKTRIVQZLXWYSC-HZPDHXFCSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596923 837902407 /nfs/dbraw/zinc/90/24/07/837902407.db2.gz RKTRIVQZLXWYSC-HZPDHXFCSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596923 837902414 /nfs/dbraw/zinc/90/24/14/837902414.db2.gz RKTRIVQZLXWYSC-HZPDHXFCSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267745669 838451492 /nfs/dbraw/zinc/45/14/92/838451492.db2.gz ASXPPRGEDFSCCH-HNNXBMFYSA-N 2 1 338.496 0.799 20 30 ECEDMP CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362490033 282394987 /nfs/dbraw/zinc/39/49/87/282394987.db2.gz YTDKHIQIULCBOY-QGZVFWFLSA-N 2 1 335.496 0.849 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000262567945 254509109 /nfs/dbraw/zinc/50/91/09/254509109.db2.gz MILRUZGLEQCZLE-HNNXBMFYSA-N 2 1 343.479 0.658 20 30 ECEDMP C[C@@](O)(CNC(=O)C1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000328785911 289114675 /nfs/dbraw/zinc/11/46/75/289114675.db2.gz WHSWMNUFGGQBIR-QGZVFWFLSA-N 2 1 325.453 0.901 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COC2(CCOCC2)O1 ZINC000262129912 436909615 /nfs/dbraw/zinc/90/96/15/436909615.db2.gz KPCKSLHWNXCCJY-KGLIPLIRSA-N 2 1 326.441 0.297 20 30 ECEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262895590 436943427 /nfs/dbraw/zinc/94/34/27/436943427.db2.gz XGGCBMMHDNMKGP-MRXNPFEDSA-N 2 1 343.479 0.930 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nncn1-c1ccccc1 ZINC000264118731 437017154 /nfs/dbraw/zinc/01/71/54/437017154.db2.gz UIGIVZRIHLFUMO-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000290618623 437506513 /nfs/dbraw/zinc/50/65/13/437506513.db2.gz KGLBJKVSHBWIIK-PKOBYXMFSA-N 2 1 346.475 0.779 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000343778336 437656425 /nfs/dbraw/zinc/65/64/25/437656425.db2.gz KGJOBBSSQXQCIQ-GJZGRUSLSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000343778336 437656430 /nfs/dbraw/zinc/65/64/30/437656430.db2.gz KGJOBBSSQXQCIQ-GJZGRUSLSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430624984 438117278 /nfs/dbraw/zinc/11/72/78/438117278.db2.gz JRILIJATPDRZJK-MRXNPFEDSA-N 2 1 334.464 0.331 20 30 ECEDMP N#CC1(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000558086880 438804464 /nfs/dbraw/zinc/80/44/64/438804464.db2.gz CHRGXKYGAACHFI-UHFFFAOYSA-N 2 1 334.464 0.983 20 30 ECEDMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000591736160 439078724 /nfs/dbraw/zinc/07/87/24/439078724.db2.gz BADWGUIITUBKGD-QGZVFWFLSA-N 2 1 329.448 0.967 20 30 ECEDMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000591736160 439078730 /nfs/dbraw/zinc/07/87/30/439078730.db2.gz BADWGUIITUBKGD-QGZVFWFLSA-N 2 1 329.448 0.967 20 30 ECEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437928 439561395 /nfs/dbraw/zinc/56/13/95/439561395.db2.gz LNXXOFFWVBKSBW-LSDHHAIUSA-N 2 1 337.468 0.457 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000600734584 439697216 /nfs/dbraw/zinc/69/72/16/439697216.db2.gz HLZYYYCBWJJHDA-INIZCTEOSA-N 2 1 338.496 0.673 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329503609 546026143 /nfs/dbraw/zinc/02/61/43/546026143.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 1 325.501 0.856 20 30 ECEDMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329503609 546026148 /nfs/dbraw/zinc/02/61/48/546026148.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 1 325.501 0.856 20 30 ECEDMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329503609 546026154 /nfs/dbraw/zinc/02/61/54/546026154.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 1 325.501 0.856 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329503609 546026157 /nfs/dbraw/zinc/02/61/57/546026157.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 1 325.501 0.856 20 30 ECEDMP C#CCNC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000750835291 579359271 /nfs/dbraw/zinc/35/92/71/579359271.db2.gz LNIMUSHDZOHLGA-UHFFFAOYSA-N 2 1 334.508 0.864 20 30 ECEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900797556 586664343 /nfs/dbraw/zinc/66/43/43/586664343.db2.gz HEFBYINLNZUWPU-MRXNPFEDSA-N 2 1 349.475 0.865 20 30 ECEDMP C#CCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900797556 586664345 /nfs/dbraw/zinc/66/43/45/586664345.db2.gz HEFBYINLNZUWPU-MRXNPFEDSA-N 2 1 349.475 0.865 20 30 ECEDMP CO[C@@H]1COCC[C@@H]1[NH+](C)CC#CC[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433388 590393484 /nfs/dbraw/zinc/39/34/84/590393484.db2.gz WKYFZBGLBJUBGC-WNRNVDISSA-N 2 1 340.464 0.461 20 30 ECEDMP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751217 590408535 /nfs/dbraw/zinc/40/85/35/590408535.db2.gz MPAOQWIZLPJWCZ-WMZOPIPTSA-N 2 1 342.443 0.972 20 30 ECEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751217 590408536 /nfs/dbraw/zinc/40/85/36/590408536.db2.gz MPAOQWIZLPJWCZ-WMZOPIPTSA-N 2 1 342.443 0.972 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876801911 590416423 /nfs/dbraw/zinc/41/64/23/590416423.db2.gz KHQNBWWQCWATEX-IRXDYDNUSA-N 3 1 341.459 0.598 20 30 ECEDMP CC(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCOCC1 ZINC000884183775 590765697 /nfs/dbraw/zinc/76/56/97/590765697.db2.gz WXJKODIFFMHVRP-GARNVTTQSA-N 2 1 334.464 0.599 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000930829119 611470449 /nfs/dbraw/zinc/47/04/49/611470449.db2.gz YLUYUHUUFHXXRQ-INIZCTEOSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](CCC)C1)C1CC[NH+](C)CC1 ZINC000931019254 611498501 /nfs/dbraw/zinc/49/85/01/611498501.db2.gz UYDXALGEUPJXGJ-HNNXBMFYSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000938170529 609482723 /nfs/dbraw/zinc/48/27/23/609482723.db2.gz JKAJGBGJACPTFY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000938170529 609482726 /nfs/dbraw/zinc/48/27/26/609482726.db2.gz JKAJGBGJACPTFY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000938170529 609482728 /nfs/dbraw/zinc/48/27/28/609482728.db2.gz JKAJGBGJACPTFY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000938170529 609482730 /nfs/dbraw/zinc/48/27/30/609482730.db2.gz JKAJGBGJACPTFY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C1CC[NH+](C)CC1 ZINC000910887740 609774160 /nfs/dbraw/zinc/77/41/60/609774160.db2.gz TYSYSNMZIWFFBX-DOTOQJQBSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000938754883 609973102 /nfs/dbraw/zinc/97/31/02/609973102.db2.gz PXQFXPUBWGCZAS-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000938754883 609973103 /nfs/dbraw/zinc/97/31/03/609973103.db2.gz PXQFXPUBWGCZAS-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000938754883 609973104 /nfs/dbraw/zinc/97/31/04/609973104.db2.gz PXQFXPUBWGCZAS-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000938754883 609973105 /nfs/dbraw/zinc/97/31/05/609973105.db2.gz PXQFXPUBWGCZAS-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000939751210 610114875 /nfs/dbraw/zinc/11/48/75/610114875.db2.gz MLAJVGQMBWDRPZ-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189309 611894448 /nfs/dbraw/zinc/89/44/48/611894448.db2.gz PKRRLBRXTJSQJF-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001024987354 738461826 /nfs/dbraw/zinc/46/18/26/738461826.db2.gz IWEAWINSOUBRER-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001024987354 738461830 /nfs/dbraw/zinc/46/18/30/738461830.db2.gz IWEAWINSOUBRER-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834460 782305823 /nfs/dbraw/zinc/30/58/23/782305823.db2.gz DCSRRWFFCNIKHL-HKUYNNGSSA-N 2 1 333.476 0.902 20 30 ECEDMP N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC000970270475 733284852 /nfs/dbraw/zinc/28/48/52/733284852.db2.gz NXHQQKBGLRIVPA-GOSISDBHSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410585 736144169 /nfs/dbraw/zinc/14/41/69/736144169.db2.gz SRZYBEYUFKOVMI-MJGOQNOKSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167636306 736188375 /nfs/dbraw/zinc/18/83/75/736188375.db2.gz RRVWWLNYAFVWTH-HOTGVXAUSA-N 2 1 336.480 0.483 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023421538 736809279 /nfs/dbraw/zinc/80/92/79/736809279.db2.gz BUYCODXZGPRBGE-IRXDYDNUSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023421538 736809283 /nfs/dbraw/zinc/80/92/83/736809283.db2.gz BUYCODXZGPRBGE-IRXDYDNUSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023421538 736809286 /nfs/dbraw/zinc/80/92/86/736809286.db2.gz BUYCODXZGPRBGE-IRXDYDNUSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCn2cncn2)C1 ZINC001023421538 736809289 /nfs/dbraw/zinc/80/92/89/736809289.db2.gz BUYCODXZGPRBGE-IRXDYDNUSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCn2cncn2)C1 ZINC001023421538 736809292 /nfs/dbraw/zinc/80/92/92/736809292.db2.gz BUYCODXZGPRBGE-IRXDYDNUSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](CCOC)CCO3)CC1 ZINC000972689463 737387491 /nfs/dbraw/zinc/38/74/91/737387491.db2.gz YMYCTCSYKGJABZ-IBGZPJMESA-N 2 1 349.475 0.281 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCOC)CCO3)CC1 ZINC000972689463 737387494 /nfs/dbraw/zinc/38/74/94/737387494.db2.gz YMYCTCSYKGJABZ-IBGZPJMESA-N 2 1 349.475 0.281 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256795 741572396 /nfs/dbraw/zinc/57/23/96/741572396.db2.gz SQRJOHFYKCEPIZ-KRWDZBQOSA-N 2 1 344.463 0.649 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750233 741762295 /nfs/dbraw/zinc/76/22/95/741762295.db2.gz YQYUKRQSZCSUSY-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750233 741762297 /nfs/dbraw/zinc/76/22/97/741762297.db2.gz YQYUKRQSZCSUSY-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326782 741802965 /nfs/dbraw/zinc/80/29/65/741802965.db2.gz GEGZIWCGUDSHLC-CQSZACIVSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC001026892838 742036556 /nfs/dbraw/zinc/03/65/56/742036556.db2.gz CSDDGWFLYHIUET-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC001026892838 742036561 /nfs/dbraw/zinc/03/65/61/742036561.db2.gz CSDDGWFLYHIUET-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001026894071 742039924 /nfs/dbraw/zinc/03/99/24/742039924.db2.gz VDYRWFUHOPAIRP-HOTGVXAUSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001026894071 742039926 /nfs/dbraw/zinc/03/99/26/742039926.db2.gz VDYRWFUHOPAIRP-HOTGVXAUSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001029003028 743155740 /nfs/dbraw/zinc/15/57/40/743155740.db2.gz GZBOHYGSMKCONF-DOTOQJQBSA-N 2 1 346.475 0.000 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001027218545 743180117 /nfs/dbraw/zinc/18/01/17/743180117.db2.gz IUGXLMQNDLYLET-CVEARBPZSA-N 2 1 345.447 0.417 20 30 ECEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261968297 743197255 /nfs/dbraw/zinc/19/72/55/743197255.db2.gz MAJYWUNBLWLMOO-GXTWGEPZSA-N 2 1 331.468 0.762 20 30 ECEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228454 743375581 /nfs/dbraw/zinc/37/55/81/743375581.db2.gz KOWHSWZUTLJOBY-RXHUYCNISA-N 2 1 331.460 0.700 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997304154 743466270 /nfs/dbraw/zinc/46/62/70/743466270.db2.gz QRYUADNZIWGGPP-GDBMZVCRSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001027446294 744484327 /nfs/dbraw/zinc/48/43/27/744484327.db2.gz FHXSEZNMEACCRC-SJORKVTESA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027446294 744484333 /nfs/dbraw/zinc/48/43/33/744484333.db2.gz FHXSEZNMEACCRC-SJORKVTESA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCn2cncn2)C1 ZINC001027446294 744484335 /nfs/dbraw/zinc/48/43/35/744484335.db2.gz FHXSEZNMEACCRC-SJORKVTESA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCn2cncn2)C1 ZINC001027446294 744484337 /nfs/dbraw/zinc/48/43/37/744484337.db2.gz FHXSEZNMEACCRC-SJORKVTESA-N 2 1 344.463 0.299 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261651241 751923857 /nfs/dbraw/zinc/92/38/57/751923857.db2.gz FCEJRNCTYXSZLX-IRXDYDNUSA-N 2 1 337.512 0.558 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261651241 751923860 /nfs/dbraw/zinc/92/38/60/751923860.db2.gz FCEJRNCTYXSZLX-IRXDYDNUSA-N 3 1 337.512 0.558 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261651241 751923864 /nfs/dbraw/zinc/92/38/64/751923864.db2.gz FCEJRNCTYXSZLX-IRXDYDNUSA-N 3 1 337.512 0.558 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961201 745103849 /nfs/dbraw/zinc/10/38/49/745103849.db2.gz IHGIIRNLPCHRIU-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961201 745103853 /nfs/dbraw/zinc/10/38/53/745103853.db2.gz IHGIIRNLPCHRIU-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999961201 745103859 /nfs/dbraw/zinc/10/38/59/745103859.db2.gz IHGIIRNLPCHRIU-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988348 745144366 /nfs/dbraw/zinc/14/43/66/745144366.db2.gz UDEZLMLNQGAVHT-HYVNUMGLSA-N 2 1 344.463 0.505 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999988348 745144369 /nfs/dbraw/zinc/14/43/69/745144369.db2.gz UDEZLMLNQGAVHT-HYVNUMGLSA-N 2 1 344.463 0.505 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999988348 745144371 /nfs/dbraw/zinc/14/43/71/745144371.db2.gz UDEZLMLNQGAVHT-HYVNUMGLSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996945 745156920 /nfs/dbraw/zinc/15/69/20/745156920.db2.gz KKDJGQJWFZANMX-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996945 745156922 /nfs/dbraw/zinc/15/69/22/745156922.db2.gz KKDJGQJWFZANMX-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996945 745156924 /nfs/dbraw/zinc/15/69/24/745156924.db2.gz KKDJGQJWFZANMX-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000034979 745210078 /nfs/dbraw/zinc/21/00/78/745210078.db2.gz LEGDOTJULACTJM-MRXNPFEDSA-N 2 1 342.447 0.260 20 30 ECEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000977626 745946880 /nfs/dbraw/zinc/94/68/80/745946880.db2.gz RMVJWQOSLFVVFW-HFCFLWKCSA-N 2 1 329.444 0.621 20 30 ECEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000977626 745946881 /nfs/dbraw/zinc/94/68/81/745946881.db2.gz RMVJWQOSLFVVFW-HFCFLWKCSA-N 2 1 329.444 0.621 20 30 ECEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000977626 745946884 /nfs/dbraw/zinc/94/68/84/745946884.db2.gz RMVJWQOSLFVVFW-HFCFLWKCSA-N 2 1 329.444 0.621 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC001000993789 745959053 /nfs/dbraw/zinc/95/90/53/745959053.db2.gz SYAVQWMQMHKRHR-MRXNPFEDSA-N 2 1 345.447 0.804 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001001263245 746223197 /nfs/dbraw/zinc/22/31/97/746223197.db2.gz IVWGKJNZCWBSSD-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342380 747568133 /nfs/dbraw/zinc/56/81/33/747568133.db2.gz AGJSTCNXDSYEGH-DOTOQJQBSA-N 2 1 342.447 0.401 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)CC1 ZINC000980477212 749628983 /nfs/dbraw/zinc/62/89/83/749628983.db2.gz CYRYDXIZJWNFAL-SFHVURJKSA-N 2 1 343.475 0.761 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492643 762197597 /nfs/dbraw/zinc/19/75/97/762197597.db2.gz AZJTYGNBJNEYFI-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261752407 753258602 /nfs/dbraw/zinc/25/86/02/753258602.db2.gz MAJVPJQCJNGRMN-GOEBONIOSA-N 2 1 337.512 0.745 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001028601202 753877419 /nfs/dbraw/zinc/87/74/19/753877419.db2.gz LFSHJDNYUUBMBF-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001028601202 753877427 /nfs/dbraw/zinc/87/74/27/753877427.db2.gz LFSHJDNYUUBMBF-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001028601202 753877434 /nfs/dbraw/zinc/87/74/34/753877434.db2.gz LFSHJDNYUUBMBF-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001028601202 753877439 /nfs/dbraw/zinc/87/74/39/753877439.db2.gz LFSHJDNYUUBMBF-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001028601201 753877557 /nfs/dbraw/zinc/87/75/57/753877557.db2.gz LFSHJDNYUUBMBF-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001028601201 753877558 /nfs/dbraw/zinc/87/75/58/753877558.db2.gz LFSHJDNYUUBMBF-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001028601201 753877561 /nfs/dbraw/zinc/87/75/61/753877561.db2.gz LFSHJDNYUUBMBF-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001028601201 753877563 /nfs/dbraw/zinc/87/75/63/753877563.db2.gz LFSHJDNYUUBMBF-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C[NH+]=C(NCCc1nc(C)no1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261792847 753894300 /nfs/dbraw/zinc/89/43/00/753894300.db2.gz RADWPCBRIIGLSK-AWEZNQCLSA-N 2 1 336.440 0.150 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989480595 754016403 /nfs/dbraw/zinc/01/64/03/754016403.db2.gz IYJZBQSPIWSXFZ-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989480595 754016410 /nfs/dbraw/zinc/01/64/10/754016410.db2.gz IYJZBQSPIWSXFZ-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480595 754016415 /nfs/dbraw/zinc/01/64/15/754016415.db2.gz IYJZBQSPIWSXFZ-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989480595 754016418 /nfs/dbraw/zinc/01/64/18/754016418.db2.gz IYJZBQSPIWSXFZ-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778483 755084217 /nfs/dbraw/zinc/08/42/17/755084217.db2.gz IEXVLWCJGOGXQH-NVXWUHKLSA-N 2 1 348.491 0.553 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436669 756135030 /nfs/dbraw/zinc/13/50/30/756135030.db2.gz RFJYUWKHCHEHIZ-DLBZAZTESA-N 2 1 328.416 0.579 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436669 756135032 /nfs/dbraw/zinc/13/50/32/756135032.db2.gz RFJYUWKHCHEHIZ-DLBZAZTESA-N 2 1 328.416 0.579 20 30 ECEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@H]2C1 ZINC001048860677 757207788 /nfs/dbraw/zinc/20/77/88/757207788.db2.gz AMMFJEOWMQHRNL-JZXOWHBKSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@H]2C1 ZINC001048860677 757207796 /nfs/dbraw/zinc/20/77/96/757207796.db2.gz AMMFJEOWMQHRNL-JZXOWHBKSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@H]2C1 ZINC001048860677 757207798 /nfs/dbraw/zinc/20/77/98/757207798.db2.gz AMMFJEOWMQHRNL-JZXOWHBKSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996339537 757409704 /nfs/dbraw/zinc/40/97/04/757409704.db2.gz BLNBYFAWWLGPLF-INIZCTEOSA-N 2 1 344.459 0.039 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996339537 757409708 /nfs/dbraw/zinc/40/97/08/757409708.db2.gz BLNBYFAWWLGPLF-INIZCTEOSA-N 2 1 344.459 0.039 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049608784 758988387 /nfs/dbraw/zinc/98/83/87/758988387.db2.gz FAXUBPKYKWMOPK-KZIZELGASA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049608784 758988394 /nfs/dbraw/zinc/98/83/94/758988394.db2.gz FAXUBPKYKWMOPK-KZIZELGASA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049608784 758988397 /nfs/dbraw/zinc/98/83/97/758988397.db2.gz FAXUBPKYKWMOPK-KZIZELGASA-N 2 1 343.471 0.938 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001047633925 759358546 /nfs/dbraw/zinc/35/85/46/759358546.db2.gz RVZLFDBJHHBOJM-JYJNAYRXSA-N 2 1 325.453 0.177 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001047633925 759358558 /nfs/dbraw/zinc/35/85/58/759358558.db2.gz RVZLFDBJHHBOJM-JYJNAYRXSA-N 2 1 325.453 0.177 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047633925 759358570 /nfs/dbraw/zinc/35/85/70/759358570.db2.gz RVZLFDBJHHBOJM-JYJNAYRXSA-N 2 1 325.453 0.177 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047633925 759358582 /nfs/dbraw/zinc/35/85/82/759358582.db2.gz RVZLFDBJHHBOJM-JYJNAYRXSA-N 2 1 325.453 0.177 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001054296170 767904104 /nfs/dbraw/zinc/90/41/04/767904104.db2.gz HPCFRGFUOHPJFL-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001054296170 767904108 /nfs/dbraw/zinc/90/41/08/767904108.db2.gz HPCFRGFUOHPJFL-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001054296198 767904300 /nfs/dbraw/zinc/90/43/00/767904300.db2.gz UUFALNJZJHMXBU-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001054296198 767904308 /nfs/dbraw/zinc/90/43/08/767904308.db2.gz UUFALNJZJHMXBU-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974132 763150322 /nfs/dbraw/zinc/15/03/22/763150322.db2.gz OVHRNBBJJUGGRY-OAGGEKHMSA-N 2 1 325.453 0.204 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974132 763150325 /nfs/dbraw/zinc/15/03/25/763150325.db2.gz OVHRNBBJJUGGRY-OAGGEKHMSA-N 2 1 325.453 0.204 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052031459 763632190 /nfs/dbraw/zinc/63/21/90/763632190.db2.gz OMLHMAOECAQLEM-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031459 763632195 /nfs/dbraw/zinc/63/21/95/763632195.db2.gz OMLHMAOECAQLEM-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036228 763648032 /nfs/dbraw/zinc/64/80/32/763648032.db2.gz ICFCFCCBHHVJAI-ROUUACIJSA-N 2 1 347.507 0.991 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036228 763648035 /nfs/dbraw/zinc/64/80/35/763648035.db2.gz ICFCFCCBHHVJAI-ROUUACIJSA-N 2 1 347.507 0.991 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098766300 764488268 /nfs/dbraw/zinc/48/82/68/764488268.db2.gz BANYCMOERVGNBP-OAHLLOKOSA-N 2 1 330.436 0.423 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768200 764646635 /nfs/dbraw/zinc/64/66/35/764646635.db2.gz SALGSFZCKRQXCY-MRXNPFEDSA-N 2 1 344.463 0.813 20 30 ECEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047627334 764923623 /nfs/dbraw/zinc/92/36/23/764923623.db2.gz OOFJDVQMNIPGGA-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004565 765704125 /nfs/dbraw/zinc/70/41/25/765704125.db2.gz ZAYYJBJUFBZPJJ-LSDHHAIUSA-N 2 1 332.448 0.060 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004565 765704126 /nfs/dbraw/zinc/70/41/26/765704126.db2.gz ZAYYJBJUFBZPJJ-LSDHHAIUSA-N 2 1 332.448 0.060 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030170 766696555 /nfs/dbraw/zinc/69/65/55/766696555.db2.gz KZDHAEOMOGXYNU-MSOLQXFVSA-N 2 1 332.492 0.733 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001016670277 766698674 /nfs/dbraw/zinc/69/86/74/766698674.db2.gz OVRXMRAZXLNGEV-HOTGVXAUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001016670277 766698675 /nfs/dbraw/zinc/69/86/75/766698675.db2.gz OVRXMRAZXLNGEV-HOTGVXAUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@@H](C)C(N)=O)CC3)CC1 ZINC000992515627 766755261 /nfs/dbraw/zinc/75/52/61/766755261.db2.gz ZGXWTSDJSBBIKM-GMBSWORKSA-N 2 1 346.475 0.319 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042864 766757602 /nfs/dbraw/zinc/75/76/02/766757602.db2.gz OIDOANPXCPGGFP-GOSISDBHSA-N 2 1 344.503 0.857 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046087406 766930023 /nfs/dbraw/zinc/93/00/23/766930023.db2.gz WQQTZAGANSCCFO-GOSISDBHSA-N 2 1 332.492 0.714 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031740657 766985316 /nfs/dbraw/zinc/98/53/16/766985316.db2.gz HVIMLMWNXRYSQK-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031740657 766985318 /nfs/dbraw/zinc/98/53/18/766985318.db2.gz HVIMLMWNXRYSQK-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001054147375 767742600 /nfs/dbraw/zinc/74/26/00/767742600.db2.gz PPUUWJLZMORSMW-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001054147375 767742606 /nfs/dbraw/zinc/74/26/06/767742606.db2.gz PPUUWJLZMORSMW-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCO)C2)C1 ZINC001054147375 767742612 /nfs/dbraw/zinc/74/26/12/767742612.db2.gz PPUUWJLZMORSMW-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCO)C2)C1 ZINC001054147375 767742617 /nfs/dbraw/zinc/74/26/17/767742617.db2.gz PPUUWJLZMORSMW-HKUYNNGSSA-N 2 1 333.476 0.781 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055539488 769056695 /nfs/dbraw/zinc/05/66/95/769056695.db2.gz YMLPBFCEXOGZNF-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001055542438 769065733 /nfs/dbraw/zinc/06/57/33/769065733.db2.gz AFHSVEPVGUOERK-MRXNPFEDSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055542438 769065745 /nfs/dbraw/zinc/06/57/45/769065745.db2.gz AFHSVEPVGUOERK-MRXNPFEDSA-N 2 1 336.480 0.744 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001055590133 769195870 /nfs/dbraw/zinc/19/58/70/769195870.db2.gz DQOPZXRMYIMADJ-BBRMVZONSA-N 2 1 349.479 0.183 20 30 ECEDMP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055606762 769242360 /nfs/dbraw/zinc/24/23/60/769242360.db2.gz KZCQMZMJNPREEM-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055606762 769242363 /nfs/dbraw/zinc/24/23/63/769242363.db2.gz KZCQMZMJNPREEM-UHFFFAOYSA-N 2 1 348.491 0.438 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055630919 769301705 /nfs/dbraw/zinc/30/17/05/769301705.db2.gz AHKHQUMPEATLFY-CQSZACIVSA-N 2 1 337.468 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000993855878 769764287 /nfs/dbraw/zinc/76/42/87/769764287.db2.gz VJRPUPJARWGUJF-OAHLLOKOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673117 776014240 /nfs/dbraw/zinc/01/42/40/776014240.db2.gz OHNPBNNCEGRZOE-IXDOHACOSA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673117 776014246 /nfs/dbraw/zinc/01/42/46/776014246.db2.gz OHNPBNNCEGRZOE-IXDOHACOSA-N 2 1 349.475 0.326 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077631 790526677 /nfs/dbraw/zinc/52/66/77/790526677.db2.gz LJAAZUSMFHLYSR-CABCVRRESA-N 2 1 330.436 0.292 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158886 790782714 /nfs/dbraw/zinc/78/27/14/790782714.db2.gz WHXLBAXNUKUXSG-RDBSUJKOSA-N 2 1 338.843 0.466 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158886 790782724 /nfs/dbraw/zinc/78/27/24/790782724.db2.gz WHXLBAXNUKUXSG-RDBSUJKOSA-N 2 1 338.843 0.466 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273442 780949631 /nfs/dbraw/zinc/94/96/31/780949631.db2.gz BXANVLGCXLUVBA-DLBZAZTESA-N 2 1 342.443 0.764 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682667 781503835 /nfs/dbraw/zinc/50/38/35/781503835.db2.gz DWNNHUILKSHSNW-USXIJHARSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682667 781503843 /nfs/dbraw/zinc/50/38/43/781503843.db2.gz DWNNHUILKSHSNW-USXIJHARSA-N 2 1 332.448 0.881 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192545 783626578 /nfs/dbraw/zinc/62/65/78/783626578.db2.gz BTKNGVFGBQALBT-PMPSAXMXSA-N 2 1 332.452 0.678 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192770 783626599 /nfs/dbraw/zinc/62/65/99/783626599.db2.gz OHJFISXUCNDBEV-OAGGEKHMSA-N 2 1 330.436 0.126 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070277441 783783662 /nfs/dbraw/zinc/78/36/62/783783662.db2.gz QELOKYKOXRJPGP-RDBSUJKOSA-N 2 1 340.859 0.712 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001071073349 784518697 /nfs/dbraw/zinc/51/86/97/784518697.db2.gz VSZZWIMGWZWYHP-AEFFLSMTSA-N 2 1 330.432 0.810 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070701873 784568674 /nfs/dbraw/zinc/56/86/74/784568674.db2.gz AWPUGCGPYXJYQN-HZPDHXFCSA-N 2 1 347.463 0.212 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928949 790201525 /nfs/dbraw/zinc/20/15/25/790201525.db2.gz NBOZAUGAFJIPCS-ZACQAIPSSA-N 2 1 344.463 0.538 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931621 790204529 /nfs/dbraw/zinc/20/45/29/790204529.db2.gz LSJWZVKHCNNYQL-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931621 790204533 /nfs/dbraw/zinc/20/45/33/790204533.db2.gz LSJWZVKHCNNYQL-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931621 790204536 /nfs/dbraw/zinc/20/45/36/790204536.db2.gz LSJWZVKHCNNYQL-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931621 790204540 /nfs/dbraw/zinc/20/45/40/790204540.db2.gz LSJWZVKHCNNYQL-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001267487087 837548877 /nfs/dbraw/zinc/54/88/77/837548877.db2.gz AJYDRNMFCKDUBG-NVXWUHKLSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267565264 837780538 /nfs/dbraw/zinc/78/05/38/837780538.db2.gz ZBMDDZWZBMCOJM-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267565264 837780540 /nfs/dbraw/zinc/78/05/40/837780540.db2.gz ZBMDDZWZBMCOJM-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267565264 837780546 /nfs/dbraw/zinc/78/05/46/837780546.db2.gz ZBMDDZWZBMCOJM-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569384 837794746 /nfs/dbraw/zinc/79/47/46/837794746.db2.gz UHSPCXJAQBPGKV-CVEARBPZSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCC[C@@H](C)[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001266281307 835610233 /nfs/dbraw/zinc/61/02/33/835610233.db2.gz LMXMOYOQYFZIMW-IAGOWNOFSA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCC[C@@H](C)[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001266281307 835610236 /nfs/dbraw/zinc/61/02/36/835610236.db2.gz LMXMOYOQYFZIMW-IAGOWNOFSA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267019000 836635041 /nfs/dbraw/zinc/63/50/41/836635041.db2.gz WWIHQNAPRLKVPX-GJZGRUSLSA-N 2 1 345.447 0.247 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267046904 836674797 /nfs/dbraw/zinc/67/47/97/836674797.db2.gz FTSKFQDGJUFOBG-SJORKVTESA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)N(C)C)C2)CC1 ZINC001267597353 837904271 /nfs/dbraw/zinc/90/42/71/837904271.db2.gz VXMAMBFRSDSPTL-MRXNPFEDSA-N 2 1 348.491 0.200 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267928936 838806830 /nfs/dbraw/zinc/80/68/30/838806830.db2.gz HGFBKHLXFUOMEC-BZUAXINKSA-N 2 1 336.480 0.647 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267955727 838858947 /nfs/dbraw/zinc/85/89/47/838858947.db2.gz FPJDAEHMXIEOTM-OWCLPIDISA-N 2 1 336.480 0.600 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2nnc(C)o2)CC1 ZINC001268015231 838978350 /nfs/dbraw/zinc/97/83/50/838978350.db2.gz IVFASAYNHIWEGO-ZDUSSCGKSA-N 2 1 333.436 0.565 20 30 ECEDMP COCC#CC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001279250542 839257997 /nfs/dbraw/zinc/25/79/97/839257997.db2.gz YDQTYFKPODOCDO-UHFFFAOYSA-N 2 1 334.420 0.579 20 30 ECEDMP COc1ccc(OC)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264148350 254514240 /nfs/dbraw/zinc/51/42/40/254514240.db2.gz YOFHJTSQWCRZSH-UHFFFAOYSA-N 2 1 336.436 0.830 20 30 ECEDMP C[NH+]=C(NCc1ccnc(C)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179088042 254507438 /nfs/dbraw/zinc/50/74/38/254507438.db2.gz ROMKWEUODTUMHD-HNNXBMFYSA-N 2 1 332.452 0.515 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000190004686 437615434 /nfs/dbraw/zinc/61/54/34/437615434.db2.gz KBSXBWMLAOTSFC-CABCVRRESA-N 2 1 340.468 0.725 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000190004686 437615439 /nfs/dbraw/zinc/61/54/39/437615439.db2.gz KBSXBWMLAOTSFC-CABCVRRESA-N 2 1 340.468 0.725 20 30 ECEDMP CC(=O)Nc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264091634 437017313 /nfs/dbraw/zinc/01/73/13/437017313.db2.gz LCFMKXYGTFHAQD-UHFFFAOYSA-N 2 1 347.463 0.814 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCCC2)nc1 ZINC000264113798 437017321 /nfs/dbraw/zinc/01/73/21/437017321.db2.gz PHUHYLQLKJYFNF-UHFFFAOYSA-N 2 1 346.479 0.808 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000267436237 437327248 /nfs/dbraw/zinc/32/72/48/437327248.db2.gz NXKZIEOTPAWWSC-UHFFFAOYSA-N 2 1 335.408 0.764 20 30 ECEDMP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000329228121 437337780 /nfs/dbraw/zinc/33/77/80/437337780.db2.gz AHWLFPHHXGRUBN-HZPDHXFCSA-N 2 1 325.501 0.856 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339307582 437456597 /nfs/dbraw/zinc/45/65/97/437456597.db2.gz JURMLQSYZFSQDD-CVEARBPZSA-N 2 1 334.464 0.448 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000341091631 437790934 /nfs/dbraw/zinc/79/09/34/437790934.db2.gz OZRPYMDZQHQOBG-MRXNPFEDSA-N 2 1 337.512 0.820 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000342032899 437948315 /nfs/dbraw/zinc/94/83/15/437948315.db2.gz IFPSWIOMRWKDKS-MRXNPFEDSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181165 438201540 /nfs/dbraw/zinc/20/15/40/438201540.db2.gz LCPDKTUOAPGURH-HUUCEWRRSA-N 2 1 340.468 0.819 20 30 ECEDMP C#CCN1C(=O)C[C@H]([NH+]2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000491637044 439416009 /nfs/dbraw/zinc/41/60/09/439416009.db2.gz UIQSPZOASVVTOC-KRWDZBQOSA-N 2 1 349.475 0.818 20 30 ECEDMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000564035687 322358933 /nfs/dbraw/zinc/35/89/33/322358933.db2.gz YSMXTVDVDHVUNI-LJQANCHMSA-N 2 1 346.475 0.615 20 30 ECEDMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000564035687 322358937 /nfs/dbraw/zinc/35/89/37/322358937.db2.gz YSMXTVDVDHVUNI-LJQANCHMSA-N 2 1 346.475 0.615 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000668840333 547765065 /nfs/dbraw/zinc/76/50/65/547765065.db2.gz GGKOEPYYZAYKLE-INIZCTEOSA-N 2 1 336.480 0.696 20 30 ECEDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc2F)CC1 ZINC000834488178 588902686 /nfs/dbraw/zinc/90/26/86/588902686.db2.gz ABZNWIAXWRYIPX-GOEBONIOSA-N 2 1 345.422 0.809 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000896487715 586243273 /nfs/dbraw/zinc/24/32/73/586243273.db2.gz BOEJOOQQFQSOKH-ULQDDVLXSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000896487715 586243276 /nfs/dbraw/zinc/24/32/76/586243276.db2.gz BOEJOOQQFQSOKH-ULQDDVLXSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000896487715 586243278 /nfs/dbraw/zinc/24/32/78/586243278.db2.gz BOEJOOQQFQSOKH-ULQDDVLXSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000896487715 586243280 /nfs/dbraw/zinc/24/32/80/586243280.db2.gz BOEJOOQQFQSOKH-ULQDDVLXSA-N 2 1 334.464 0.325 20 30 ECEDMP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000104174707 586296553 /nfs/dbraw/zinc/29/65/53/586296553.db2.gz PLFPUTSUIXDMHD-SJORKVTESA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000104174707 586296555 /nfs/dbraw/zinc/29/65/55/586296555.db2.gz PLFPUTSUIXDMHD-SJORKVTESA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000104174707 586296558 /nfs/dbraw/zinc/29/65/58/586296558.db2.gz PLFPUTSUIXDMHD-SJORKVTESA-N 3 1 338.544 0.649 20 30 ECEDMP C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903777940 586814185 /nfs/dbraw/zinc/81/41/85/586814185.db2.gz GABVUTJZIQOILK-BMFZPTHFSA-N 2 1 347.463 0.032 20 30 ECEDMP C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903777940 586814187 /nfs/dbraw/zinc/81/41/87/586814187.db2.gz GABVUTJZIQOILK-BMFZPTHFSA-N 2 1 347.463 0.032 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000858492938 589752484 /nfs/dbraw/zinc/75/24/84/589752484.db2.gz GMNVJRGTSTUAHM-UHFFFAOYSA-N 2 1 336.480 0.838 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868652983 589919244 /nfs/dbraw/zinc/91/92/44/589919244.db2.gz NQXCDJOJETWVLD-UHFFFAOYSA-N 2 1 335.496 0.363 20 30 ECEDMP C[N@H+]1CCC(=NNC(=S)NCCN2CCOCC2)CC1(C)C ZINC000863066940 589989634 /nfs/dbraw/zinc/98/96/34/589989634.db2.gz ALSHJCLTQYLHHM-UHFFFAOYSA-N 2 1 327.498 0.643 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000884055030 590722418 /nfs/dbraw/zinc/72/24/18/590722418.db2.gz ZIDQRAFJJUBWHI-QGZVFWFLSA-N 2 1 335.496 0.411 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000884055030 590722421 /nfs/dbraw/zinc/72/24/21/590722421.db2.gz ZIDQRAFJJUBWHI-QGZVFWFLSA-N 2 1 335.496 0.411 20 30 ECEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884180231 590765159 /nfs/dbraw/zinc/76/51/59/590765159.db2.gz QQGCOUJKVXVMDO-BNQMIIOLSA-N 2 1 334.464 0.599 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160738 591052498 /nfs/dbraw/zinc/05/24/98/591052498.db2.gz BVHLFZKTIKELKK-SJORKVTESA-N 3 1 338.544 0.647 20 30 ECEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160738 591052503 /nfs/dbraw/zinc/05/25/03/591052503.db2.gz BVHLFZKTIKELKK-SJORKVTESA-N 2 1 338.544 0.647 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000104160738 591052507 /nfs/dbraw/zinc/05/25/07/591052507.db2.gz BVHLFZKTIKELKK-SJORKVTESA-N 2 1 338.544 0.647 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946627680 611373466 /nfs/dbraw/zinc/37/34/66/611373466.db2.gz AAYJLKSKSTZYFJ-FJIDUMEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946627680 611373469 /nfs/dbraw/zinc/37/34/69/611373469.db2.gz AAYJLKSKSTZYFJ-FJIDUMEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC000946627680 611373471 /nfs/dbraw/zinc/37/34/71/611373471.db2.gz AAYJLKSKSTZYFJ-FJIDUMEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC000946627680 611373473 /nfs/dbraw/zinc/37/34/73/611373473.db2.gz AAYJLKSKSTZYFJ-FJIDUMEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000929997012 611378119 /nfs/dbraw/zinc/37/81/19/611378119.db2.gz VFGMGBQMDYQATR-UHFFFAOYSA-N 2 1 348.491 0.533 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481154 611433682 /nfs/dbraw/zinc/43/36/82/611433682.db2.gz SRGJXYCMTPRXQX-CABCVRRESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180944 611523719 /nfs/dbraw/zinc/52/37/19/611523719.db2.gz SONUGVFVSXWKNV-FTEYMNFISA-N 2 1 347.503 0.928 20 30 ECEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)NC[C@@H]1CCCS1 ZINC000179185973 609070490 /nfs/dbraw/zinc/07/04/90/609070490.db2.gz JPQJQXRQHJYBHY-ZDUSSCGKSA-N 2 1 327.498 0.211 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC000939811052 610136917 /nfs/dbraw/zinc/13/69/17/610136917.db2.gz QERKYKZTJNTTDN-CXAGYDPISA-N 2 1 345.447 0.660 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000941237855 610621311 /nfs/dbraw/zinc/62/13/11/610621311.db2.gz RMQWPJDPVNDRGC-OAHLLOKOSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000941237855 610621313 /nfs/dbraw/zinc/62/13/13/610621313.db2.gz RMQWPJDPVNDRGC-OAHLLOKOSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943517088 610882093 /nfs/dbraw/zinc/88/20/93/610882093.db2.gz OFMXWNKKVYOVIR-RDJZCZTQSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189553 611894342 /nfs/dbraw/zinc/89/43/42/611894342.db2.gz YWDRKSUOAAGNFL-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189554 611894397 /nfs/dbraw/zinc/89/43/97/611894397.db2.gz YWDRKSUOAAGNFL-IRXDYDNUSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC000949212908 611902176 /nfs/dbraw/zinc/90/21/76/611902176.db2.gz SYUCXARBBJCXQJ-UHFFFAOYSA-N 2 1 337.464 0.588 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000950429176 612015722 /nfs/dbraw/zinc/01/57/22/612015722.db2.gz ZBSUDTGFAVMILX-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000954706387 612574274 /nfs/dbraw/zinc/57/42/74/612574274.db2.gz LNUUZPZAINQCOC-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000954706387 612574276 /nfs/dbraw/zinc/57/42/76/612574276.db2.gz LNUUZPZAINQCOC-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000954706387 612574279 /nfs/dbraw/zinc/57/42/79/612574279.db2.gz LNUUZPZAINQCOC-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000954706387 612574280 /nfs/dbraw/zinc/57/42/80/612574280.db2.gz LNUUZPZAINQCOC-IRXDYDNUSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001024987357 738461791 /nfs/dbraw/zinc/46/17/91/738461791.db2.gz IWEAWINSOUBRER-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001024987357 738461794 /nfs/dbraw/zinc/46/17/94/738461794.db2.gz IWEAWINSOUBRER-ROUUACIJSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C[C@H](C)O)C3)C2)CC1 ZINC001041844999 782325751 /nfs/dbraw/zinc/32/57/51/782325751.db2.gz RHFVXACGFSJNQM-LPHOPBHVSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cnn(C)c3)C2)CC1 ZINC000970924951 734092488 /nfs/dbraw/zinc/09/24/88/734092488.db2.gz OFAMEOMTMWDSSV-OAHLLOKOSA-N 2 1 343.475 0.702 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167588485 735892468 /nfs/dbraw/zinc/89/24/68/735892468.db2.gz QXWLIOQJYLAATM-UHFFFAOYSA-N 2 1 335.452 0.795 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001023761921 737326746 /nfs/dbraw/zinc/32/67/46/737326746.db2.gz MQCSYELHCRKSGI-RDJZCZTQSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCCF)C[C@@H]32)CC1 ZINC001083283702 739744824 /nfs/dbraw/zinc/74/48/24/739744824.db2.gz ORVALZHHGQCESO-DLBZAZTESA-N 2 1 337.439 0.603 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001026140507 740410612 /nfs/dbraw/zinc/41/06/12/740410612.db2.gz WZZCNNMMXUMACR-LFRCEIEQSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140507 740410614 /nfs/dbraw/zinc/41/06/14/740410614.db2.gz WZZCNNMMXUMACR-LFRCEIEQSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140507 740410617 /nfs/dbraw/zinc/41/06/17/740410617.db2.gz WZZCNNMMXUMACR-LFRCEIEQSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007778 741160162 /nfs/dbraw/zinc/16/01/62/741160162.db2.gz FUKDVIBGOCSNEG-OAGGEKHMSA-N 2 1 336.480 0.315 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013172 741164912 /nfs/dbraw/zinc/16/49/12/741164912.db2.gz DKNCJJFBOJHLLC-GDBMZVCRSA-N 2 1 345.447 0.015 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240214 741531093 /nfs/dbraw/zinc/53/10/93/741531093.db2.gz CXTVCYCTHFVFEX-MRXNPFEDSA-N 2 1 332.452 0.810 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240214 741531095 /nfs/dbraw/zinc/53/10/95/741531095.db2.gz CXTVCYCTHFVFEX-MRXNPFEDSA-N 2 1 332.452 0.810 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243210 741544377 /nfs/dbraw/zinc/54/43/77/741544377.db2.gz YYWJJUHYXVFZOP-CZUORRHYSA-N 2 1 332.452 0.667 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243210 741544381 /nfs/dbraw/zinc/54/43/81/741544381.db2.gz YYWJJUHYXVFZOP-CZUORRHYSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312255 741723385 /nfs/dbraw/zinc/72/33/85/741723385.db2.gz HIZAXVPXQZFHOJ-GJZGRUSLSA-N 2 1 344.463 0.505 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327130 741812178 /nfs/dbraw/zinc/81/21/78/741812178.db2.gz TWUWLHPAPFNBFM-YOEHRIQHSA-N 2 1 346.479 0.915 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327197 741812855 /nfs/dbraw/zinc/81/28/55/741812855.db2.gz VWYRXPJKBGIKAC-CQSZACIVSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997623647 743716486 /nfs/dbraw/zinc/71/64/86/743716486.db2.gz GOUUWCKXYVDMTJ-DZKIICNBSA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997623647 743716488 /nfs/dbraw/zinc/71/64/88/743716488.db2.gz GOUUWCKXYVDMTJ-DZKIICNBSA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999390221 744670678 /nfs/dbraw/zinc/67/06/78/744670678.db2.gz FHRLQWAAFQRRND-WBVHZDCISA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999390221 744670680 /nfs/dbraw/zinc/67/06/80/744670680.db2.gz FHRLQWAAFQRRND-WBVHZDCISA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000999391912 744671950 /nfs/dbraw/zinc/67/19/50/744671950.db2.gz NYNYQMJBYALLEN-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000999391912 744671954 /nfs/dbraw/zinc/67/19/54/744671954.db2.gz NYNYQMJBYALLEN-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996937 745156659 /nfs/dbraw/zinc/15/66/59/745156659.db2.gz KKDJGQJWFZANMX-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996937 745156665 /nfs/dbraw/zinc/15/66/65/745156665.db2.gz KKDJGQJWFZANMX-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996937 745156668 /nfs/dbraw/zinc/15/66/68/745156668.db2.gz KKDJGQJWFZANMX-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)nn2)C1 ZINC001000042787 745223540 /nfs/dbraw/zinc/22/35/40/745223540.db2.gz HJEJOPYZIDCDSZ-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)nn2)C1 ZINC001000042787 745223546 /nfs/dbraw/zinc/22/35/46/745223546.db2.gz HJEJOPYZIDCDSZ-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042787 745223550 /nfs/dbraw/zinc/22/35/50/745223550.db2.gz HJEJOPYZIDCDSZ-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000042787 745223551 /nfs/dbraw/zinc/22/35/51/745223551.db2.gz HJEJOPYZIDCDSZ-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658883 745351925 /nfs/dbraw/zinc/35/19/25/745351925.db2.gz VPEMXWOAVYEVJY-CVEARBPZSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658883 745351930 /nfs/dbraw/zinc/35/19/30/745351930.db2.gz VPEMXWOAVYEVJY-CVEARBPZSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccn2C)C1 ZINC000983905256 745485365 /nfs/dbraw/zinc/48/53/65/745485365.db2.gz NTBQCFMHRUAJJR-JYJNAYRXSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccn2C)C1 ZINC000983905256 745485367 /nfs/dbraw/zinc/48/53/67/745485367.db2.gz NTBQCFMHRUAJJR-JYJNAYRXSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000977921590 745650333 /nfs/dbraw/zinc/65/03/33/745650333.db2.gz TUKSFFYNGQGMFI-ZACQAIPSSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000977921590 745650338 /nfs/dbraw/zinc/65/03/38/745650338.db2.gz TUKSFFYNGQGMFI-ZACQAIPSSA-N 2 1 348.491 0.484 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454547 746393431 /nfs/dbraw/zinc/39/34/31/746393431.db2.gz XTWPMCSGXCQMFX-IRXDYDNUSA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454547 746393436 /nfs/dbraw/zinc/39/34/36/746393436.db2.gz XTWPMCSGXCQMFX-IRXDYDNUSA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454547 746393438 /nfs/dbraw/zinc/39/34/38/746393438.db2.gz XTWPMCSGXCQMFX-IRXDYDNUSA-N 2 1 346.475 0.473 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001027694234 746860961 /nfs/dbraw/zinc/86/09/61/746860961.db2.gz UZYSMLRQEKSSOH-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001002473004 747401513 /nfs/dbraw/zinc/40/15/13/747401513.db2.gz IKHJIKPXWPPNFN-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000985123084 747414622 /nfs/dbraw/zinc/41/46/22/747414622.db2.gz KKPBKPQIULJMFH-JYJNAYRXSA-N 2 1 345.447 0.463 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC000985332626 747723007 /nfs/dbraw/zinc/72/30/07/747723007.db2.gz RAEKDKARQZNEDN-IRXDYDNUSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000985332626 747723014 /nfs/dbraw/zinc/72/30/14/747723014.db2.gz RAEKDKARQZNEDN-IRXDYDNUSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC000985332626 747723018 /nfs/dbraw/zinc/72/30/18/747723018.db2.gz RAEKDKARQZNEDN-IRXDYDNUSA-N 2 1 348.491 0.790 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261688959 752216485 /nfs/dbraw/zinc/21/64/85/752216485.db2.gz IKJOAKLELSZCLI-GOSISDBHSA-N 2 1 348.539 0.558 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnn(C)n2)C1 ZINC001029758024 748269857 /nfs/dbraw/zinc/26/98/57/748269857.db2.gz OYLHZYPNURGZQT-RDJZCZTQSA-N 2 1 344.463 0.193 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cnn(C)n2)C1 ZINC001029758024 748269860 /nfs/dbraw/zinc/26/98/60/748269860.db2.gz OYLHZYPNURGZQT-RDJZCZTQSA-N 2 1 344.463 0.193 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC001003628973 748742061 /nfs/dbraw/zinc/74/20/61/748742061.db2.gz VRXBOWIDRICGGN-NVXWUHKLSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149943 749262939 /nfs/dbraw/zinc/26/29/39/749262939.db2.gz OMQDHQTUHGRFPA-GDBMZVCRSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167836325 750514823 /nfs/dbraw/zinc/51/48/23/750514823.db2.gz UDEPUPCHAVQGBQ-OAHLLOKOSA-N 2 1 336.480 0.342 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC001021092899 752533491 /nfs/dbraw/zinc/53/34/91/752533491.db2.gz UWXGUEDCUKXYCX-SHTZXODSSA-N 2 1 345.447 0.714 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@@](C)(O)c1cccs1 ZINC000261747322 753178674 /nfs/dbraw/zinc/17/86/74/753178674.db2.gz NBZDQJFIXZRSKD-CZUORRHYSA-N 2 1 339.509 0.366 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492641 762197389 /nfs/dbraw/zinc/19/73/89/762197389.db2.gz AZJTYGNBJNEYFI-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](C[C@@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831344 753885064 /nfs/dbraw/zinc/88/50/64/753885064.db2.gz KGMORPASNGMQHJ-AHRSYUTCSA-N 2 1 347.503 0.883 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001028603642 753896952 /nfs/dbraw/zinc/89/69/52/753896952.db2.gz GHDOLPLDWBGEDQ-ZBFHGGJFSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001028603642 753896964 /nfs/dbraw/zinc/89/69/64/753896964.db2.gz GHDOLPLDWBGEDQ-ZBFHGGJFSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001075942468 753931303 /nfs/dbraw/zinc/93/13/03/753931303.db2.gz ISJMRUQOKKDJEC-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001075942468 753931308 /nfs/dbraw/zinc/93/13/08/753931308.db2.gz ISJMRUQOKKDJEC-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001075942468 753931315 /nfs/dbraw/zinc/93/13/15/753931315.db2.gz ISJMRUQOKKDJEC-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001075942468 753931323 /nfs/dbraw/zinc/93/13/23/753931323.db2.gz ISJMRUQOKKDJEC-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C[C@@H]2C)CC1 ZINC000989828693 754497592 /nfs/dbraw/zinc/49/75/92/754497592.db2.gz HSHQOEAHNXZWQZ-HOCLYGCPSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001098688001 754788612 /nfs/dbraw/zinc/78/86/12/754788612.db2.gz GWPCCYISSPNPJR-INIZCTEOSA-N 2 1 344.463 0.956 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCn3cccn3)C2)CC1 ZINC001009627842 755087371 /nfs/dbraw/zinc/08/73/71/755087371.db2.gz OGUIFDHDFHWKGI-GOSISDBHSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncn3C)C[C@@H]2C1 ZINC001048868907 757234186 /nfs/dbraw/zinc/23/41/86/757234186.db2.gz RCQPQOKSXYDNIS-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncn3C)C[C@@H]2C1 ZINC001048868907 757234190 /nfs/dbraw/zinc/23/41/90/757234190.db2.gz RCQPQOKSXYDNIS-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncn3C)C[C@@H]2C1 ZINC001048868907 757234192 /nfs/dbraw/zinc/23/41/92/757234192.db2.gz RCQPQOKSXYDNIS-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncn3C)C[C@@H]2C1 ZINC001048868907 757234197 /nfs/dbraw/zinc/23/41/97/757234197.db2.gz RCQPQOKSXYDNIS-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001076927105 757647248 /nfs/dbraw/zinc/64/72/48/757647248.db2.gz WPGGFAMLEKDGHO-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001076927105 757647253 /nfs/dbraw/zinc/64/72/53/757647253.db2.gz WPGGFAMLEKDGHO-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](C)C(C)C ZINC001076927105 757647259 /nfs/dbraw/zinc/64/72/59/757647259.db2.gz WPGGFAMLEKDGHO-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](C)C(C)C ZINC001076927105 757647266 /nfs/dbraw/zinc/64/72/66/757647266.db2.gz WPGGFAMLEKDGHO-HOTGVXAUSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001077125489 758292637 /nfs/dbraw/zinc/29/26/37/758292637.db2.gz VVDYLUUJERKOOP-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001077125489 758292643 /nfs/dbraw/zinc/29/26/43/758292643.db2.gz VVDYLUUJERKOOP-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001077125489 758292652 /nfs/dbraw/zinc/29/26/52/758292652.db2.gz VVDYLUUJERKOOP-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077125489 758292664 /nfs/dbraw/zinc/29/26/64/758292664.db2.gz VVDYLUUJERKOOP-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001051660218 762617992 /nfs/dbraw/zinc/61/79/92/762617992.db2.gz OLEUZLDWMOXXHG-HOCLYGCPSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001051660218 762617997 /nfs/dbraw/zinc/61/79/97/762617997.db2.gz OLEUZLDWMOXXHG-HOCLYGCPSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235946 758405083 /nfs/dbraw/zinc/40/50/83/758405083.db2.gz ZIROSDTYLQZSAU-RYQLBKOJSA-N 2 1 333.476 0.757 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2noc(CC)n2)CC1 ZINC000996683135 758463865 /nfs/dbraw/zinc/46/38/65/758463865.db2.gz ASHMBORQFPWASU-HNNXBMFYSA-N 2 1 345.447 0.810 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2noc(CC)n2)CC1 ZINC000996683135 758463869 /nfs/dbraw/zinc/46/38/69/758463869.db2.gz ASHMBORQFPWASU-HNNXBMFYSA-N 2 1 345.447 0.810 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2O)CC1 ZINC001047638576 759375004 /nfs/dbraw/zinc/37/50/04/759375004.db2.gz ZCRSZXWTILEGDY-XIRDDKMYSA-N 2 1 339.455 0.583 20 30 ECEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106211067 767933364 /nfs/dbraw/zinc/93/33/64/767933364.db2.gz PNXZPTBRRYXQLZ-OAGGEKHMSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)COCC[NH+](C)C)CC2)C1 ZINC001105731442 761394687 /nfs/dbraw/zinc/39/46/87/761394687.db2.gz PYVIKIDLYHGVOM-UHFFFAOYSA-N 2 1 337.464 0.280 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052035380 763642013 /nfs/dbraw/zinc/64/20/13/763642013.db2.gz BPCYYWNYHNHMCK-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036379 763649174 /nfs/dbraw/zinc/64/91/74/763649174.db2.gz NANQHOAQOZUNFI-ZWKOTPCHSA-N 2 1 347.507 0.706 20 30 ECEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036379 763649179 /nfs/dbraw/zinc/64/91/79/763649179.db2.gz NANQHOAQOZUNFI-ZWKOTPCHSA-N 2 1 347.507 0.706 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501408 764527055 /nfs/dbraw/zinc/52/70/55/764527055.db2.gz BXDOJRDHKWKJKY-XIRDDKMYSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501408 764527058 /nfs/dbraw/zinc/52/70/58/764527058.db2.gz BXDOJRDHKWKJKY-XIRDDKMYSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047527875 764599289 /nfs/dbraw/zinc/59/92/89/764599289.db2.gz JBVUQMHRBAZFST-PVAVHDDUSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047527875 764599298 /nfs/dbraw/zinc/59/92/98/764599298.db2.gz JBVUQMHRBAZFST-PVAVHDDUSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077496957 765673620 /nfs/dbraw/zinc/67/36/20/765673620.db2.gz MZCYFUISKPGYRO-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077496957 765673623 /nfs/dbraw/zinc/67/36/23/765673623.db2.gz MZCYFUISKPGYRO-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001077496957 765673629 /nfs/dbraw/zinc/67/36/29/765673629.db2.gz MZCYFUISKPGYRO-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001077496957 765673632 /nfs/dbraw/zinc/67/36/32/765673632.db2.gz MZCYFUISKPGYRO-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046012678 766639469 /nfs/dbraw/zinc/63/94/69/766639469.db2.gz BECWBSALECUSAY-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046012678 766639470 /nfs/dbraw/zinc/63/94/70/766639470.db2.gz BECWBSALECUSAY-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012678 766639471 /nfs/dbraw/zinc/63/94/71/766639471.db2.gz BECWBSALECUSAY-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012678 766639473 /nfs/dbraw/zinc/63/94/73/766639473.db2.gz BECWBSALECUSAY-DLBZAZTESA-N 2 1 336.480 0.112 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046027258 766685828 /nfs/dbraw/zinc/68/58/28/766685828.db2.gz LOWITAUPJRZQIV-RTBURBONSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046027256 766686096 /nfs/dbraw/zinc/68/60/96/766686096.db2.gz LOWITAUPJRZQIV-OALUTQOASA-N 2 1 344.503 0.570 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042967 766759773 /nfs/dbraw/zinc/75/97/73/766759773.db2.gz QFMZSZLAUXMMMR-KRWDZBQOSA-N 2 1 330.476 0.467 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047843 766778598 /nfs/dbraw/zinc/77/85/98/766778598.db2.gz YVOPIJOVPIINDZ-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047842 766778776 /nfs/dbraw/zinc/77/87/76/766778776.db2.gz YVOPIJOVPIINDZ-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031740401 766983629 /nfs/dbraw/zinc/98/36/29/766983629.db2.gz BHLJLZJMXZZGNW-IBGZPJMESA-N 2 1 341.455 0.825 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031740401 766983635 /nfs/dbraw/zinc/98/36/35/766983635.db2.gz BHLJLZJMXZZGNW-IBGZPJMESA-N 2 1 341.455 0.825 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055573998 769157020 /nfs/dbraw/zinc/15/70/20/769157020.db2.gz MDGLGAJBBCFIRM-UHFFFAOYSA-N 2 1 348.491 0.437 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055631788 769303858 /nfs/dbraw/zinc/30/38/58/769303858.db2.gz KQNXJSCYOOOCDU-CABCVRRESA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055632453 769307337 /nfs/dbraw/zinc/30/73/37/769307337.db2.gz VKIZDRZYJQYIFA-ZBFHGGJFSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001018985948 770483756 /nfs/dbraw/zinc/48/37/56/770483756.db2.gz NFECPXADYUUAPC-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001018985948 770483759 /nfs/dbraw/zinc/48/37/59/770483759.db2.gz NFECPXADYUUAPC-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)CC1 ZINC000994500327 770917159 /nfs/dbraw/zinc/91/71/59/770917159.db2.gz RCIMYFMFNJTWBO-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)CC1 ZINC000994500327 770917163 /nfs/dbraw/zinc/91/71/63/770917163.db2.gz RCIMYFMFNJTWBO-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C ZINC001045073619 774936776 /nfs/dbraw/zinc/93/67/76/774936776.db2.gz KYXGRRVSXWTMGS-RDJZCZTQSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C ZINC001045073619 774936780 /nfs/dbraw/zinc/93/67/80/774936780.db2.gz KYXGRRVSXWTMGS-RDJZCZTQSA-N 2 1 329.448 0.598 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015191 790331040 /nfs/dbraw/zinc/33/10/40/790331040.db2.gz JZIBVBNUTAJQTJ-CVEARBPZSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015191 790331055 /nfs/dbraw/zinc/33/10/55/790331055.db2.gz JZIBVBNUTAJQTJ-CVEARBPZSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077820 790528602 /nfs/dbraw/zinc/52/86/02/790528602.db2.gz MRQUKZWNUMXNFY-CABCVRRESA-N 2 1 330.436 0.292 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077820 790528612 /nfs/dbraw/zinc/52/86/12/790528612.db2.gz MRQUKZWNUMXNFY-CABCVRRESA-N 2 1 330.436 0.292 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)CCC ZINC001077666359 781462994 /nfs/dbraw/zinc/46/29/94/781462994.db2.gz MRFVGIVMZPSHRU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)CCC ZINC001077666359 781462997 /nfs/dbraw/zinc/46/29/97/781462997.db2.gz MRFVGIVMZPSHRU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](C)CCC ZINC001077666359 781462999 /nfs/dbraw/zinc/46/29/99/781462999.db2.gz MRFVGIVMZPSHRU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](C)CCC ZINC001077666359 781463002 /nfs/dbraw/zinc/46/30/02/781463002.db2.gz MRFVGIVMZPSHRU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403252 783977895 /nfs/dbraw/zinc/97/78/95/783977895.db2.gz OLNSTTQWKLNFAC-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403252 783977904 /nfs/dbraw/zinc/97/79/04/783977904.db2.gz OLNSTTQWKLNFAC-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403252 783977911 /nfs/dbraw/zinc/97/79/11/783977911.db2.gz OLNSTTQWKLNFAC-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403252 783977917 /nfs/dbraw/zinc/97/79/17/783977917.db2.gz OLNSTTQWKLNFAC-GOEBONIOSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001070422737 784035710 /nfs/dbraw/zinc/03/57/10/784035710.db2.gz HKTZPXXWCACVIF-OAHLLOKOSA-N 2 1 329.448 0.790 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001070668377 784526076 /nfs/dbraw/zinc/52/60/76/784526076.db2.gz RNMLXTHAPFQMFT-HUUCEWRRSA-N 2 1 328.420 0.695 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)C1=O ZINC001072553643 786359044 /nfs/dbraw/zinc/35/90/44/786359044.db2.gz GGZXUPRMGBXRAV-HOTGVXAUSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553643 786359051 /nfs/dbraw/zinc/35/90/51/786359051.db2.gz GGZXUPRMGBXRAV-HOTGVXAUSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CCC[NH+]4C)C3)C2)C1=O ZINC001072553643 786359054 /nfs/dbraw/zinc/35/90/54/786359054.db2.gz GGZXUPRMGBXRAV-HOTGVXAUSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2 ZINC001072822926 788891378 /nfs/dbraw/zinc/89/13/78/788891378.db2.gz WUEWQMHBGGVPLT-CVEARBPZSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)N(C)C)C2 ZINC001072822926 788891387 /nfs/dbraw/zinc/89/13/87/788891387.db2.gz WUEWQMHBGGVPLT-CVEARBPZSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)N(C)C)C2 ZINC001072822926 788891396 /nfs/dbraw/zinc/89/13/96/788891396.db2.gz WUEWQMHBGGVPLT-CVEARBPZSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)N(C)C)C2 ZINC001072822926 788891402 /nfs/dbraw/zinc/89/14/02/788891402.db2.gz WUEWQMHBGGVPLT-CVEARBPZSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840738 790075330 /nfs/dbraw/zinc/07/53/30/790075330.db2.gz MQUIIRASPHIXEW-WBVHZDCISA-N 2 1 341.459 0.451 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924827 790196016 /nfs/dbraw/zinc/19/60/16/790196016.db2.gz HPQADUOAUZHHJS-IKGGRYGDSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924827 790196020 /nfs/dbraw/zinc/19/60/20/790196020.db2.gz HPQADUOAUZHHJS-IKGGRYGDSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924827 790196022 /nfs/dbraw/zinc/19/60/22/790196022.db2.gz HPQADUOAUZHHJS-IKGGRYGDSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924827 790196025 /nfs/dbraw/zinc/19/60/25/790196025.db2.gz HPQADUOAUZHHJS-IKGGRYGDSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001067709277 792165303 /nfs/dbraw/zinc/16/53/03/792165303.db2.gz IDHVHAUPPWPOQA-INIZCTEOSA-N 2 1 336.480 0.343 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001067709277 792165308 /nfs/dbraw/zinc/16/53/08/792165308.db2.gz IDHVHAUPPWPOQA-INIZCTEOSA-N 2 1 336.480 0.343 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001267566935 837785949 /nfs/dbraw/zinc/78/59/49/837785949.db2.gz KLLOWXCZDGMPEK-ZBFHGGJFSA-N 2 1 345.447 0.567 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC2CC(C)C2)CC1 ZINC001266285678 835620564 /nfs/dbraw/zinc/62/05/64/835620564.db2.gz JBKRVSVSSDUOIK-ACBHZAAOSA-N 2 1 346.519 0.864 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC2CC(C)C2)CC1 ZINC001266285678 835620566 /nfs/dbraw/zinc/62/05/66/835620566.db2.gz JBKRVSVSSDUOIK-ACBHZAAOSA-N 2 1 346.519 0.864 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266614334 836047789 /nfs/dbraw/zinc/04/77/89/836047789.db2.gz AZEJFQKIJLKIKT-QXKUPLGCSA-N 2 1 334.464 0.091 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266853523 836386774 /nfs/dbraw/zinc/38/67/74/836386774.db2.gz NNFWTPAKNSWWEG-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266853523 836386789 /nfs/dbraw/zinc/38/67/89/836386789.db2.gz NNFWTPAKNSWWEG-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267002213 836595253 /nfs/dbraw/zinc/59/52/53/836595253.db2.gz GSHXOXOWKTVFPZ-IRXDYDNUSA-N 2 1 348.491 0.438 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267266568 837102989 /nfs/dbraw/zinc/10/29/89/837102989.db2.gz GTHMARJXTAGZCA-HOTGVXAUSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267266568 837102994 /nfs/dbraw/zinc/10/29/94/837102994.db2.gz GTHMARJXTAGZCA-HOTGVXAUSA-N 2 1 334.464 0.211 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271317 837111808 /nfs/dbraw/zinc/11/18/08/837111808.db2.gz SQUSLZOGHHNWNP-JKSUJKDBSA-N 2 1 346.475 0.333 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271317 837111818 /nfs/dbraw/zinc/11/18/18/837111818.db2.gz SQUSLZOGHHNWNP-JKSUJKDBSA-N 2 1 346.475 0.333 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267303825 837171582 /nfs/dbraw/zinc/17/15/82/837171582.db2.gz RZCSVGHWJWIGAD-MRXNPFEDSA-N 2 1 336.480 0.459 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267634873 838104993 /nfs/dbraw/zinc/10/49/93/838104993.db2.gz SXJOBTHMJXYIIE-SJORKVTESA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267634873 838104999 /nfs/dbraw/zinc/10/49/99/838104999.db2.gz SXJOBTHMJXYIIE-SJORKVTESA-N 2 1 348.491 0.581 20 30 ECEDMP COCC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001267724685 838388123 /nfs/dbraw/zinc/38/81/23/838388123.db2.gz JCIUXRTUEBRCNB-QGZVFWFLSA-N 2 1 337.464 0.137 20 30 ECEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001267724685 838388126 /nfs/dbraw/zinc/38/81/26/838388126.db2.gz JCIUXRTUEBRCNB-QGZVFWFLSA-N 2 1 337.464 0.137 20 30 ECEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001267724685 838388130 /nfs/dbraw/zinc/38/81/30/838388130.db2.gz JCIUXRTUEBRCNB-QGZVFWFLSA-N 2 1 337.464 0.137 20 30 ECEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001267724685 838388134 /nfs/dbraw/zinc/38/81/34/838388134.db2.gz JCIUXRTUEBRCNB-QGZVFWFLSA-N 2 1 337.464 0.137 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001267957712 838862384 /nfs/dbraw/zinc/86/23/84/838862384.db2.gz JQDVNWRMKZUPLP-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001267957712 838862395 /nfs/dbraw/zinc/86/23/95/838862395.db2.gz JQDVNWRMKZUPLP-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2nnc(C)o2)CC1 ZINC001268015230 838978520 /nfs/dbraw/zinc/97/85/20/838978520.db2.gz IVFASAYNHIWEGO-CYBMUJFWSA-N 2 1 333.436 0.565 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001268041765 839185396 /nfs/dbraw/zinc/18/53/96/839185396.db2.gz DFUHUMDHJCPRMQ-HUUCEWRRSA-N 2 1 336.480 0.647 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ncccc1F ZINC000269469991 436665969 /nfs/dbraw/zinc/66/59/69/436665969.db2.gz KTTBXYDJFDTAPY-UHFFFAOYSA-N 2 1 325.388 0.226 20 30 ECEDMP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028044 436759941 /nfs/dbraw/zinc/75/99/41/436759941.db2.gz MGMUINNIZBVCKL-UHFFFAOYSA-N 2 1 347.463 0.687 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293910467 436918043 /nfs/dbraw/zinc/91/80/43/436918043.db2.gz FZCDHGMHZNWTDF-GOSISDBHSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293910467 436918046 /nfs/dbraw/zinc/91/80/46/436918046.db2.gz FZCDHGMHZNWTDF-GOSISDBHSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000293910467 436918050 /nfs/dbraw/zinc/91/80/50/436918050.db2.gz FZCDHGMHZNWTDF-GOSISDBHSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000293910467 436918054 /nfs/dbraw/zinc/91/80/54/436918054.db2.gz FZCDHGMHZNWTDF-GOSISDBHSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000293508809 436883579 /nfs/dbraw/zinc/88/35/79/436883579.db2.gz XYRSEIPGQIBVPW-UHFFFAOYSA-N 2 1 327.388 0.653 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934257 436897824 /nfs/dbraw/zinc/89/78/24/436897824.db2.gz CCOUAROKFGMFEF-HOTGVXAUSA-N 2 1 346.479 0.356 20 30 ECEDMP CC(=O)Nc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000170909851 436960011 /nfs/dbraw/zinc/96/00/11/436960011.db2.gz OGKWDEZGPYAHGT-UHFFFAOYSA-N 2 1 333.436 0.772 20 30 ECEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264134171 437016764 /nfs/dbraw/zinc/01/67/64/437016764.db2.gz ZBLRNXUOFPSSAZ-HNNXBMFYSA-N 2 1 339.509 0.977 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264106127 437017049 /nfs/dbraw/zinc/01/70/49/437017049.db2.gz PMBMAAHZNWYUFK-LSDHHAIUSA-N 2 1 338.427 0.954 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000296137565 436985307 /nfs/dbraw/zinc/98/53/07/436985307.db2.gz DBXIREMXHVNZFS-UHFFFAOYSA-N 2 1 345.447 0.673 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000305332133 437162274 /nfs/dbraw/zinc/16/22/74/437162274.db2.gz NCSLYYMEFQBKHW-XHSDSOJGSA-N 2 1 336.480 0.961 20 30 ECEDMP CN(CCC#N)C(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182565768 437356088 /nfs/dbraw/zinc/35/60/88/437356088.db2.gz WWIDHPBFABNANC-JWTNVVGKSA-N 2 1 347.507 0.991 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc2c(c1)CCO2 ZINC000267411760 437327000 /nfs/dbraw/zinc/32/70/00/437327000.db2.gz IIYUQLXNHCSCLX-UHFFFAOYSA-N 2 1 332.448 0.791 20 30 ECEDMP CCCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000267462493 437328484 /nfs/dbraw/zinc/32/84/84/437328484.db2.gz VQRCFDCUDAMHCO-UHFFFAOYSA-N 2 1 335.452 0.997 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000343759717 437648525 /nfs/dbraw/zinc/64/85/25/437648525.db2.gz DHUVGFQLABSFGK-ZBFHGGJFSA-N 2 1 334.464 0.306 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000343906649 437691663 /nfs/dbraw/zinc/69/16/63/437691663.db2.gz HPOGRQDRPRAEBI-PBHICJAKSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000373953633 438177402 /nfs/dbraw/zinc/17/74/02/438177402.db2.gz IUOSNFLXTQSKJW-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451678509 438707993 /nfs/dbraw/zinc/70/79/93/438707993.db2.gz ILLMHDCNEQUUOJ-ZACQAIPSSA-N 2 1 339.480 0.783 20 30 ECEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000569003507 439298762 /nfs/dbraw/zinc/29/87/62/439298762.db2.gz OCCJSNUZVAJQEZ-MSOLQXFVSA-N 2 1 347.459 0.929 20 30 ECEDMP C#CCN1CCN(C(=O)CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000491704313 439431216 /nfs/dbraw/zinc/43/12/16/439431216.db2.gz IMTGNWHYBBMPNR-QGZVFWFLSA-N 2 1 343.475 0.623 20 30 ECEDMP C=C(CNC(=O)C[C@@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636242068 439838340 /nfs/dbraw/zinc/83/83/40/439838340.db2.gz UFNUINJHDQSKNU-HOTGVXAUSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656310687 440761420 /nfs/dbraw/zinc/76/14/20/440761420.db2.gz CWPLGJJMZARFRE-IRXDYDNUSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335161 441017734 /nfs/dbraw/zinc/01/77/34/441017734.db2.gz GJPMKQHMEWRQMF-GJZGRUSLSA-N 2 1 346.479 0.689 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000329503611 546026245 /nfs/dbraw/zinc/02/62/45/546026245.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 1 325.501 0.856 20 30 ECEDMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000329503611 546026251 /nfs/dbraw/zinc/02/62/51/546026251.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 1 325.501 0.856 20 30 ECEDMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329503611 546026253 /nfs/dbraw/zinc/02/62/53/546026253.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 1 325.501 0.856 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329503611 546026258 /nfs/dbraw/zinc/02/62/58/546026258.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 1 325.501 0.856 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731833550 578315607 /nfs/dbraw/zinc/31/56/07/578315607.db2.gz FPPPGSLQLUOZFN-INIZCTEOSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731833550 578315608 /nfs/dbraw/zinc/31/56/08/578315608.db2.gz FPPPGSLQLUOZFN-INIZCTEOSA-N 2 1 334.464 0.143 20 30 ECEDMP C#C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000827566435 588128660 /nfs/dbraw/zinc/12/86/60/588128660.db2.gz VHSUFVQDTSTVKZ-KRWDZBQOSA-N 2 1 329.448 0.746 20 30 ECEDMP COc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C#N ZINC000872255350 590108569 /nfs/dbraw/zinc/10/85/69/590108569.db2.gz CKFAEPGESLZTCS-UXLLHSPISA-N 2 1 342.399 0.934 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)C1 ZINC000884327154 590807019 /nfs/dbraw/zinc/80/70/19/590807019.db2.gz LBVBOWGXKAUUTA-YOFIQYCBSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)C1 ZINC000884327154 590807022 /nfs/dbraw/zinc/80/70/22/590807022.db2.gz LBVBOWGXKAUUTA-YOFIQYCBSA-N 2 1 348.447 0.222 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC000886799316 590884439 /nfs/dbraw/zinc/88/44/39/590884439.db2.gz PNVYGVNPIFFDDK-AWEZNQCLSA-N 2 1 333.354 0.011 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642233 611383014 /nfs/dbraw/zinc/38/30/14/611383014.db2.gz AEOSGVADRHTTFO-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642233 611383018 /nfs/dbraw/zinc/38/30/18/611383018.db2.gz AEOSGVADRHTTFO-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642233 611383021 /nfs/dbraw/zinc/38/30/21/611383021.db2.gz AEOSGVADRHTTFO-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642233 611383024 /nfs/dbraw/zinc/38/30/24/611383024.db2.gz AEOSGVADRHTTFO-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642233 611383027 /nfs/dbraw/zinc/38/30/27/611383027.db2.gz AEOSGVADRHTTFO-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@H](C)C2)CC1 ZINC000948071574 611408516 /nfs/dbraw/zinc/40/85/16/611408516.db2.gz ZANAMXTUCOPMAH-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180946 611523991 /nfs/dbraw/zinc/52/39/91/611523991.db2.gz SONUGVFVSXWKNV-SOAMZJECSA-N 2 1 347.503 0.928 20 30 ECEDMP CCCCC(N)=NOCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178148943 608949286 /nfs/dbraw/zinc/94/92/86/608949286.db2.gz VNFKSGDLOMHDOM-CQSZACIVSA-N 2 1 328.457 0.938 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000938171072 609483136 /nfs/dbraw/zinc/48/31/36/609483136.db2.gz VRYHYCWLJBJWRL-JYJNAYRXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000938171072 609483137 /nfs/dbraw/zinc/48/31/37/609483137.db2.gz VRYHYCWLJBJWRL-JYJNAYRXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[NH+](CC(C)C)CC1)C1CC[NH+](C)CC1 ZINC000910884745 609773427 /nfs/dbraw/zinc/77/34/27/609773427.db2.gz DIPVKRKYAWILRG-UHFFFAOYSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CCN(C(=O)NC1CC[NH+](CCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000914017849 609844507 /nfs/dbraw/zinc/84/45/07/609844507.db2.gz OFIOWGDVRDROQT-UHFFFAOYSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](CC#C)CC3)CC2)C1 ZINC000941676644 610449567 /nfs/dbraw/zinc/44/95/67/610449567.db2.gz CKULEVCFPIJWRL-UHFFFAOYSA-N 2 1 342.487 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940962923 610468108 /nfs/dbraw/zinc/46/81/08/610468108.db2.gz YUGBGSCCNMFOEC-DLBZAZTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000941238040 610622133 /nfs/dbraw/zinc/62/21/33/610622133.db2.gz QQSAQSYPFSZQCV-IXDOHACOSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000941238040 610622135 /nfs/dbraw/zinc/62/21/35/610622135.db2.gz QQSAQSYPFSZQCV-IXDOHACOSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950076440 611858570 /nfs/dbraw/zinc/85/85/70/611858570.db2.gz DNQSLCNIHYNLHM-DLBZAZTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000954630784 612468577 /nfs/dbraw/zinc/46/85/77/612468577.db2.gz JKYHKQGLDRXKTC-IRXDYDNUSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000954630784 612468578 /nfs/dbraw/zinc/46/85/78/612468578.db2.gz JKYHKQGLDRXKTC-IRXDYDNUSA-N 2 1 346.475 0.093 20 30 ECEDMP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532693 733050586 /nfs/dbraw/zinc/05/05/86/733050586.db2.gz AOVCOKKDZXOJMS-UHFFFAOYSA-N 2 1 347.887 0.602 20 30 ECEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001098532845 733053142 /nfs/dbraw/zinc/05/31/42/733053142.db2.gz HFUCREOYVFZNNA-UHFFFAOYSA-N 2 1 332.448 0.996 20 30 ECEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001098532845 733053145 /nfs/dbraw/zinc/05/31/45/733053145.db2.gz HFUCREOYVFZNNA-UHFFFAOYSA-N 2 1 332.448 0.996 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167235853 733081014 /nfs/dbraw/zinc/08/10/14/733081014.db2.gz AWYKDXGDFCKHCZ-LSDHHAIUSA-N 2 1 336.480 0.362 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)C(N)=O)C3)C2)CC1 ZINC001041845174 782326270 /nfs/dbraw/zinc/32/62/70/782326270.db2.gz UQLRHQZBWVJANW-DNVCBOLYSA-N 2 1 346.475 0.130 20 30 ECEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970761996 733922483 /nfs/dbraw/zinc/92/24/83/733922483.db2.gz HYSRMPSYTYWTQR-CHWSQXEVSA-N 2 1 346.269 0.806 20 30 ECEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970761996 733922482 /nfs/dbraw/zinc/92/24/82/733922482.db2.gz HYSRMPSYTYWTQR-CHWSQXEVSA-N 2 1 346.269 0.806 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639532 736206732 /nfs/dbraw/zinc/20/67/32/736206732.db2.gz AUIHFAQQHUYYHA-HNNXBMFYSA-N 2 1 338.496 0.895 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC001023128384 736523642 /nfs/dbraw/zinc/52/36/42/736523642.db2.gz BVGZTPCDCDEICH-GASCZTMLSA-N 2 1 331.420 0.460 20 30 ECEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560668 738107368 /nfs/dbraw/zinc/10/73/68/738107368.db2.gz HXESSOUBRRBMIZ-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560668 738107370 /nfs/dbraw/zinc/10/73/70/738107370.db2.gz HXESSOUBRRBMIZ-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560668 738107374 /nfs/dbraw/zinc/10/73/74/738107374.db2.gz HXESSOUBRRBMIZ-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C[C@H]1CC[N@@H+](CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996787997 742865684 /nfs/dbraw/zinc/86/56/84/742865684.db2.gz HQMMTIZVCOKZHB-AOCRQIFASA-N 2 1 347.507 0.897 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997183257 743325217 /nfs/dbraw/zinc/32/52/17/743325217.db2.gz JCSFKSOQBIKZTM-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC000997624689 743717056 /nfs/dbraw/zinc/71/70/56/743717056.db2.gz XGBRRJANFNLZGI-ZOBUZTSGSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC000997624689 743717061 /nfs/dbraw/zinc/71/70/61/743717061.db2.gz XGBRRJANFNLZGI-ZOBUZTSGSA-N 2 1 348.491 0.435 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813686 744357344 /nfs/dbraw/zinc/35/73/44/744357344.db2.gz XKSXJVLGDFTGRO-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813686 744357347 /nfs/dbraw/zinc/35/73/47/744357347.db2.gz XKSXJVLGDFTGRO-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999392659 744672525 /nfs/dbraw/zinc/67/25/25/744672525.db2.gz RVZVIGSOYZNXIA-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999392659 744672526 /nfs/dbraw/zinc/67/25/26/744672526.db2.gz RVZVIGSOYZNXIA-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987397 745141669 /nfs/dbraw/zinc/14/16/69/745141669.db2.gz NUVBUVNUKULXTA-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987397 745141671 /nfs/dbraw/zinc/14/16/71/745141671.db2.gz NUVBUVNUKULXTA-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987397 745141676 /nfs/dbraw/zinc/14/16/76/745141676.db2.gz NUVBUVNUKULXTA-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999998115 745158364 /nfs/dbraw/zinc/15/83/64/745158364.db2.gz QWPHVVHFZNCWGI-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998115 745158367 /nfs/dbraw/zinc/15/83/67/745158367.db2.gz QWPHVVHFZNCWGI-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998115 745158370 /nfs/dbraw/zinc/15/83/70/745158370.db2.gz QWPHVVHFZNCWGI-CVEARBPZSA-N 2 1 332.452 0.811 20 30 ECEDMP C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261661142 751982279 /nfs/dbraw/zinc/98/22/79/751982279.db2.gz ARWVRHFVPCATCH-GOEBONIOSA-N 2 1 337.512 0.745 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045849 745226134 /nfs/dbraw/zinc/22/61/34/745226134.db2.gz RDRQQJDNNBBILK-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045849 745226137 /nfs/dbraw/zinc/22/61/37/745226137.db2.gz RDRQQJDNNBBILK-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045849 745226140 /nfs/dbraw/zinc/22/61/40/745226140.db2.gz RDRQQJDNNBBILK-ZBFHGGJFSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266321 752001457 /nfs/dbraw/zinc/00/14/57/752001457.db2.gz UGIMZBRYGGLKCL-HOTGVXAUSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266321 752001463 /nfs/dbraw/zinc/00/14/63/752001463.db2.gz UGIMZBRYGGLKCL-HOTGVXAUSA-N 2 1 346.475 0.450 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(CC)n2)C1 ZINC000983902908 745481198 /nfs/dbraw/zinc/48/11/98/745481198.db2.gz ZMEVAMRKEXHBPE-SZMVWBNQSA-N 2 1 343.475 0.985 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804042 745747386 /nfs/dbraw/zinc/74/73/86/745747386.db2.gz RFKNEDROOWEYJX-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361139 752084301 /nfs/dbraw/zinc/08/43/01/752084301.db2.gz RRRISIAMJUKVCO-AWEZNQCLSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000978667230 746557675 /nfs/dbraw/zinc/55/76/75/746557675.db2.gz LHLMNPNJXMTJJN-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000978667230 746557678 /nfs/dbraw/zinc/55/76/78/746557678.db2.gz LHLMNPNJXMTJJN-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000978667230 746557683 /nfs/dbraw/zinc/55/76/83/746557683.db2.gz LHLMNPNJXMTJJN-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000978667230 746557687 /nfs/dbraw/zinc/55/76/87/746557687.db2.gz LHLMNPNJXMTJJN-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080884 747271477 /nfs/dbraw/zinc/27/14/77/747271477.db2.gz RDXMUQWARFCSCP-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080884 747271482 /nfs/dbraw/zinc/27/14/82/747271482.db2.gz RDXMUQWARFCSCP-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080884 747271487 /nfs/dbraw/zinc/27/14/87/747271487.db2.gz RDXMUQWARFCSCP-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080884 747271488 /nfs/dbraw/zinc/27/14/88/747271488.db2.gz RDXMUQWARFCSCP-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790434 749107323 /nfs/dbraw/zinc/10/73/23/749107323.db2.gz HHLIOXWBZNYENP-NVXWUHKLSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000985790434 749107331 /nfs/dbraw/zinc/10/73/31/749107331.db2.gz HHLIOXWBZNYENP-NVXWUHKLSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000985790434 749107341 /nfs/dbraw/zinc/10/73/41/749107341.db2.gz HHLIOXWBZNYENP-NVXWUHKLSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)CC1 ZINC000980477663 749630063 /nfs/dbraw/zinc/63/00/63/749630063.db2.gz IROBMFWYXHUVTN-CVEARBPZSA-N 2 1 334.464 0.128 20 30 ECEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812239 751132625 /nfs/dbraw/zinc/13/26/25/751132625.db2.gz KZSPYYNKMNOWON-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812239 751132628 /nfs/dbraw/zinc/13/26/28/751132628.db2.gz KZSPYYNKMNOWON-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001028333247 752401072 /nfs/dbraw/zinc/40/10/72/752401072.db2.gz HMQYMYVVGJOXFX-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001030019188 752629314 /nfs/dbraw/zinc/62/93/14/752629314.db2.gz HPCFRGFUOHPJFL-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001009624875 755083359 /nfs/dbraw/zinc/08/33/59/755083359.db2.gz BGZVFVBPULDYOM-IAGOWNOFSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001009624875 755083360 /nfs/dbraw/zinc/08/33/60/755083360.db2.gz BGZVFVBPULDYOM-IAGOWNOFSA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000990570326 755423490 /nfs/dbraw/zinc/42/34/90/755423490.db2.gz NWWMEECRKBCTCR-GOSISDBHSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000990570326 755423494 /nfs/dbraw/zinc/42/34/94/755423494.db2.gz NWWMEECRKBCTCR-GOSISDBHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076605898 756725805 /nfs/dbraw/zinc/72/58/05/756725805.db2.gz YPPZXBBOMIYPOS-YTQUADARSA-N 2 1 345.487 0.901 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)nn2)C1 ZINC001107210853 757697218 /nfs/dbraw/zinc/69/72/18/757697218.db2.gz GJXODYFSEMGRSW-RHSMWYFYSA-N 2 1 346.479 0.915 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001021926958 758070231 /nfs/dbraw/zinc/07/02/31/758070231.db2.gz YKPHYVGWGZGIKK-HLLBOEOZSA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001021926958 758070236 /nfs/dbraw/zinc/07/02/36/758070236.db2.gz YKPHYVGWGZGIKK-HLLBOEOZSA-N 2 1 346.406 0.765 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128732 758268044 /nfs/dbraw/zinc/26/80/44/758268044.db2.gz CCSAEYXCERICQT-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128732 758268050 /nfs/dbraw/zinc/26/80/50/758268050.db2.gz CCSAEYXCERICQT-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128732 758268056 /nfs/dbraw/zinc/26/80/56/758268056.db2.gz CCSAEYXCERICQT-IXDOHACOSA-N 2 1 337.464 0.367 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001077124900 758286144 /nfs/dbraw/zinc/28/61/44/758286144.db2.gz IOKQEWALKUAANS-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001077124900 758286152 /nfs/dbraw/zinc/28/61/52/758286152.db2.gz IOKQEWALKUAANS-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001077124900 758286160 /nfs/dbraw/zinc/28/61/60/758286160.db2.gz IOKQEWALKUAANS-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001077124900 758286169 /nfs/dbraw/zinc/28/61/69/758286169.db2.gz IOKQEWALKUAANS-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001077124901 758286490 /nfs/dbraw/zinc/28/64/90/758286490.db2.gz IOKQEWALKUAANS-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001077124901 758286501 /nfs/dbraw/zinc/28/65/01/758286501.db2.gz IOKQEWALKUAANS-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001077124901 758286504 /nfs/dbraw/zinc/28/65/04/758286504.db2.gz IOKQEWALKUAANS-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001077124901 758286515 /nfs/dbraw/zinc/28/65/15/758286515.db2.gz IOKQEWALKUAANS-ULQDDVLXSA-N 2 1 348.491 0.579 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1F ZINC001127779294 758645448 /nfs/dbraw/zinc/64/54/48/758645448.db2.gz KXDBRWLHNXPNOS-RDJZCZTQSA-N 2 1 346.406 0.766 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@@H](C)O)CC1 ZINC001049918804 759403011 /nfs/dbraw/zinc/40/30/11/759403011.db2.gz MOTHSKUHJIXKCI-KBAYOESNSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC[C@H]3CO1)C2 ZINC001048526097 760663555 /nfs/dbraw/zinc/66/35/55/760663555.db2.gz OHDGUKIFEQASTH-FLXSYLCISA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC001048526097 760663562 /nfs/dbraw/zinc/66/35/62/760663562.db2.gz OHDGUKIFEQASTH-FLXSYLCISA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001048526097 760663566 /nfs/dbraw/zinc/66/35/66/760663566.db2.gz OHDGUKIFEQASTH-FLXSYLCISA-N 2 1 331.460 0.842 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723328 767971117 /nfs/dbraw/zinc/97/11/17/767971117.db2.gz FPDJURHLARIXED-PMPSAXMXSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723328 767971123 /nfs/dbraw/zinc/97/11/23/767971123.db2.gz FPDJURHLARIXED-PMPSAXMXSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723328 767971126 /nfs/dbraw/zinc/97/11/26/767971126.db2.gz FPDJURHLARIXED-PMPSAXMXSA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723328 767971130 /nfs/dbraw/zinc/97/11/30/767971130.db2.gz FPDJURHLARIXED-PMPSAXMXSA-N 2 1 325.453 0.223 20 30 ECEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001106247002 768010748 /nfs/dbraw/zinc/01/07/48/768010748.db2.gz UFEXUCHYFAWZHF-NUJGCVRESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001046850399 763229769 /nfs/dbraw/zinc/22/97/69/763229769.db2.gz VGYJFTYPGUDHCR-SFHVURJKSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127680275 763328601 /nfs/dbraw/zinc/32/86/01/763328601.db2.gz UWWGPPRHRRTBSL-ZIAGYGMSSA-N 2 1 333.436 0.240 20 30 ECEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N)CC[N@H+]1C ZINC001127690764 763548985 /nfs/dbraw/zinc/54/89/85/763548985.db2.gz SGXAQKIFPIEJCU-LSDHHAIUSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026251 763618216 /nfs/dbraw/zinc/61/82/16/763618216.db2.gz COWCPWHBFAIJLI-ROUUACIJSA-N 2 1 330.476 0.180 20 30 ECEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036378 763649004 /nfs/dbraw/zinc/64/90/04/763649004.db2.gz NANQHOAQOZUNFI-ROUUACIJSA-N 2 1 347.507 0.706 20 30 ECEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052036378 763649016 /nfs/dbraw/zinc/64/90/16/763649016.db2.gz NANQHOAQOZUNFI-ROUUACIJSA-N 2 1 347.507 0.706 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001052037799 763656463 /nfs/dbraw/zinc/65/64/63/763656463.db2.gz SLELGSXBSPQVNR-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001052037799 763656469 /nfs/dbraw/zinc/65/64/69/763656469.db2.gz SLELGSXBSPQVNR-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107971 763888192 /nfs/dbraw/zinc/88/81/92/763888192.db2.gz JFNDZXBRYMEJSN-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107971 763888200 /nfs/dbraw/zinc/88/82/00/763888200.db2.gz JFNDZXBRYMEJSN-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986837 764255869 /nfs/dbraw/zinc/25/58/69/764255869.db2.gz ICDPELIEABPDJA-IIAWOOMASA-N 2 1 345.447 0.014 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCOCC2)cc1 ZINC001168417255 764328808 /nfs/dbraw/zinc/32/88/08/764328808.db2.gz PJAORYADTAXPSE-UHFFFAOYSA-N 2 1 330.432 0.876 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001088983938 764700013 /nfs/dbraw/zinc/70/00/13/764700013.db2.gz XPKKMALROXWTGZ-PMPSAXMXSA-N 2 1 346.475 0.448 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)C1=O ZINC001088983938 764700026 /nfs/dbraw/zinc/70/00/26/764700026.db2.gz XPKKMALROXWTGZ-PMPSAXMXSA-N 2 1 346.475 0.448 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937678 764800260 /nfs/dbraw/zinc/80/02/60/764800260.db2.gz WPDVFZHWYMHMDM-IFGVMOBSSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937678 764800265 /nfs/dbraw/zinc/80/02/65/764800265.db2.gz WPDVFZHWYMHMDM-IFGVMOBSSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937678 764800272 /nfs/dbraw/zinc/80/02/72/764800272.db2.gz WPDVFZHWYMHMDM-IFGVMOBSSA-N 2 1 343.471 0.986 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796837 765335492 /nfs/dbraw/zinc/33/54/92/765335492.db2.gz RODXQJJIGZHLDY-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796837 765335499 /nfs/dbraw/zinc/33/54/99/765335499.db2.gz RODXQJJIGZHLDY-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CCN(CC#N)CC2)C1 ZINC001052994213 765473154 /nfs/dbraw/zinc/47/31/54/765473154.db2.gz JYAMXTIXKCAFHN-NXHRZFHOSA-N 2 1 345.491 0.601 20 30 ECEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC#N)CC2)C1 ZINC001052994213 765473158 /nfs/dbraw/zinc/47/31/58/765473158.db2.gz JYAMXTIXKCAFHN-NXHRZFHOSA-N 2 1 345.491 0.601 20 30 ECEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)C1 ZINC001052994213 765473163 /nfs/dbraw/zinc/47/31/63/765473163.db2.gz JYAMXTIXKCAFHN-NXHRZFHOSA-N 2 1 345.491 0.601 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004563 765703287 /nfs/dbraw/zinc/70/32/87/765703287.db2.gz ZAYYJBJUFBZPJJ-GJZGRUSLSA-N 2 1 332.448 0.060 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004563 765703291 /nfs/dbraw/zinc/70/32/91/765703291.db2.gz ZAYYJBJUFBZPJJ-GJZGRUSLSA-N 2 1 332.448 0.060 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000992209434 765911376 /nfs/dbraw/zinc/91/13/76/765911376.db2.gz XMXJNVCCHBJZBZ-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000992209434 765911383 /nfs/dbraw/zinc/91/13/83/765911383.db2.gz XMXJNVCCHBJZBZ-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000992209434 765911387 /nfs/dbraw/zinc/91/13/87/765911387.db2.gz XMXJNVCCHBJZBZ-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000992209434 765911393 /nfs/dbraw/zinc/91/13/93/765911393.db2.gz XMXJNVCCHBJZBZ-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1=O ZINC001031684660 766457095 /nfs/dbraw/zinc/45/70/95/766457095.db2.gz XKCNONNWXHYYQG-BBWFWOEESA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001031684660 766457097 /nfs/dbraw/zinc/45/70/97/766457097.db2.gz XKCNONNWXHYYQG-BBWFWOEESA-N 2 1 348.491 0.552 20 30 ECEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CCC[NH+]1CCC3)O2 ZINC001053624646 766465321 /nfs/dbraw/zinc/46/53/21/766465321.db2.gz YNIVLPMPNFSWNU-MRXNPFEDSA-N 2 1 331.460 0.988 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026034 766681396 /nfs/dbraw/zinc/68/13/96/766681396.db2.gz BEIZHJIZTRTWTQ-RTBURBONSA-N 2 1 344.503 0.570 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035829 766723366 /nfs/dbraw/zinc/72/33/66/766723366.db2.gz UNQQRBZRWPDRQL-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035829 766723368 /nfs/dbraw/zinc/72/33/68/766723368.db2.gz UNQQRBZRWPDRQL-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035829 766723370 /nfs/dbraw/zinc/72/33/70/766723370.db2.gz UNQQRBZRWPDRQL-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055632451 769306544 /nfs/dbraw/zinc/30/65/44/769306544.db2.gz VKIZDRZYJQYIFA-GOEBONIOSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001078472601 783017629 /nfs/dbraw/zinc/01/76/29/783017629.db2.gz BPQHTXKJMMYTJZ-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001078472601 783017631 /nfs/dbraw/zinc/01/76/31/783017631.db2.gz BPQHTXKJMMYTJZ-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001078472601 783017634 /nfs/dbraw/zinc/01/76/34/783017634.db2.gz BPQHTXKJMMYTJZ-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001078472601 783017637 /nfs/dbraw/zinc/01/76/37/783017637.db2.gz BPQHTXKJMMYTJZ-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506554 775713548 /nfs/dbraw/zinc/71/35/48/775713548.db2.gz RKEQKHUSTHQPTQ-KOHRHEQBSA-N 2 1 331.460 0.844 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080382534 777774307 /nfs/dbraw/zinc/77/43/07/777774307.db2.gz PWPYRRVXLQASCH-OIISXLGYSA-N 2 1 348.491 0.552 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070260285 783759203 /nfs/dbraw/zinc/75/92/03/783759203.db2.gz BDQFCYNAGQOWEF-NXOAAHMSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275329 783780249 /nfs/dbraw/zinc/78/02/49/783780249.db2.gz GTNDIUQTMIPXEB-CABCVRRESA-N 2 1 332.452 0.538 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533828 784238471 /nfs/dbraw/zinc/23/84/71/784238471.db2.gz SCKXFMPSFPGUOZ-YQQAZPJKSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070599318 784413515 /nfs/dbraw/zinc/41/35/15/784413515.db2.gz TZVIEGTZFGZIBL-PMPSAXMXSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)n1 ZINC001070599318 784413525 /nfs/dbraw/zinc/41/35/25/784413525.db2.gz TZVIEGTZFGZIBL-PMPSAXMXSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)n1 ZINC001070599318 784413529 /nfs/dbraw/zinc/41/35/29/784413529.db2.gz TZVIEGTZFGZIBL-PMPSAXMXSA-N 2 1 345.447 0.496 20 30 ECEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071219838 784766493 /nfs/dbraw/zinc/76/64/93/784766493.db2.gz YVEOKMQDJDEPJQ-SJLPKXTDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071219838 784766504 /nfs/dbraw/zinc/76/65/04/784766504.db2.gz YVEOKMQDJDEPJQ-SJLPKXTDSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001071320820 784948867 /nfs/dbraw/zinc/94/88/67/784948867.db2.gz XQWQWPOKUTUNGW-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001071320820 784948871 /nfs/dbraw/zinc/94/88/71/784948871.db2.gz XQWQWPOKUTUNGW-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001071320820 784948876 /nfs/dbraw/zinc/94/88/76/784948876.db2.gz XQWQWPOKUTUNGW-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001071320820 784948880 /nfs/dbraw/zinc/94/88/80/784948880.db2.gz XQWQWPOKUTUNGW-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425530 789821094 /nfs/dbraw/zinc/82/10/94/789821094.db2.gz AANLQTBSYKUJPI-HOTGVXAUSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425530 789821099 /nfs/dbraw/zinc/82/10/99/789821099.db2.gz AANLQTBSYKUJPI-HOTGVXAUSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425530 789821105 /nfs/dbraw/zinc/82/11/05/789821105.db2.gz AANLQTBSYKUJPI-HOTGVXAUSA-N 2 1 346.475 0.259 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902737 790171539 /nfs/dbraw/zinc/17/15/39/790171539.db2.gz MFLRQIFYSZLBAA-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902737 790171543 /nfs/dbraw/zinc/17/15/43/790171543.db2.gz MFLRQIFYSZLBAA-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902737 790171547 /nfs/dbraw/zinc/17/15/47/790171547.db2.gz MFLRQIFYSZLBAA-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902737 790171551 /nfs/dbraw/zinc/17/15/51/790171551.db2.gz MFLRQIFYSZLBAA-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945064 790222952 /nfs/dbraw/zinc/22/29/52/790222952.db2.gz DENFMAVNRJMLJH-ZACQAIPSSA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945064 790222956 /nfs/dbraw/zinc/22/29/56/790222956.db2.gz DENFMAVNRJMLJH-ZACQAIPSSA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945064 790222959 /nfs/dbraw/zinc/22/29/59/790222959.db2.gz DENFMAVNRJMLJH-ZACQAIPSSA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945064 790222963 /nfs/dbraw/zinc/22/29/63/790222963.db2.gz DENFMAVNRJMLJH-ZACQAIPSSA-N 2 1 346.479 0.784 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959138 790242178 /nfs/dbraw/zinc/24/21/78/790242178.db2.gz FZNRRTFTICSEEY-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959138 790242183 /nfs/dbraw/zinc/24/21/83/790242183.db2.gz FZNRRTFTICSEEY-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959138 790242189 /nfs/dbraw/zinc/24/21/89/790242189.db2.gz FZNRRTFTICSEEY-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959138 790242195 /nfs/dbraw/zinc/24/21/95/790242195.db2.gz FZNRRTFTICSEEY-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001267571928 837806262 /nfs/dbraw/zinc/80/62/62/837806262.db2.gz BQQJSTNNSOBHNY-SFHVURJKSA-N 2 1 332.492 0.428 20 30 ECEDMP CC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001267571928 837806276 /nfs/dbraw/zinc/80/62/76/837806276.db2.gz BQQJSTNNSOBHNY-SFHVURJKSA-N 2 1 332.492 0.428 20 30 ECEDMP C=CCC[C@H](C)[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001266281306 835610098 /nfs/dbraw/zinc/61/00/98/835610098.db2.gz LMXMOYOQYFZIMW-DLBZAZTESA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCC[C@H](C)[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001266281306 835610102 /nfs/dbraw/zinc/61/01/02/835610102.db2.gz LMXMOYOQYFZIMW-DLBZAZTESA-N 2 1 338.496 0.406 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373296 835786041 /nfs/dbraw/zinc/78/60/41/835786041.db2.gz ACSLWUPBMKRTJA-MRXNPFEDSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266441515 835846705 /nfs/dbraw/zinc/84/67/05/835846705.db2.gz GXNMUOFZODANSA-CVEARBPZSA-N 2 1 345.447 0.463 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266465065 835866201 /nfs/dbraw/zinc/86/62/01/835866201.db2.gz NZHFFCKYGGYXAD-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266465065 835866203 /nfs/dbraw/zinc/86/62/03/835866203.db2.gz NZHFFCKYGGYXAD-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266465065 835866208 /nfs/dbraw/zinc/86/62/08/835866208.db2.gz NZHFFCKYGGYXAD-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266465065 835866211 /nfs/dbraw/zinc/86/62/11/835866211.db2.gz NZHFFCKYGGYXAD-HRCADAONSA-N 2 1 336.480 0.600 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266790476 836308227 /nfs/dbraw/zinc/30/82/27/836308227.db2.gz HZJQBXCZPWQJSR-IAGOWNOFSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267001587 836593195 /nfs/dbraw/zinc/59/31/95/836593195.db2.gz SRQLXYQBUUETBQ-JKSUJKDBSA-N 2 1 334.464 0.048 20 30 ECEDMP COCC#CC[N@@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267202631 836980143 /nfs/dbraw/zinc/98/01/43/836980143.db2.gz DVFFUXHHNVJRTP-UHFFFAOYSA-N 2 1 325.453 0.043 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702714 838300591 /nfs/dbraw/zinc/30/05/91/838300591.db2.gz IJJQZDSDMZRZII-JKSUJKDBSA-N 2 1 346.475 0.000 20 30 ECEDMP CC[N@@H+](C)CCC(=O)N1CCC2(CC[NH+](CC(=O)NCC#N)C2)CC1 ZINC001267973921 838907192 /nfs/dbraw/zinc/90/71/92/838907192.db2.gz FNVHUKCTHMSNRA-UHFFFAOYSA-N 2 1 349.479 0.282 20 30 ECEDMP CC[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267973921 838907195 /nfs/dbraw/zinc/90/71/95/838907195.db2.gz FNVHUKCTHMSNRA-UHFFFAOYSA-N 2 1 349.479 0.282 20 30 ECEDMP CC[NH+](C)CCC(=O)N1CCC2(CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267973921 838907198 /nfs/dbraw/zinc/90/71/98/838907198.db2.gz FNVHUKCTHMSNRA-UHFFFAOYSA-N 2 1 349.479 0.282 20 30 ECEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264137571 254514180 /nfs/dbraw/zinc/51/41/80/254514180.db2.gz VQEYHFUPJMZJHO-AWEZNQCLSA-N 2 1 347.463 0.513 20 30 ECEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000268093422 437367208 /nfs/dbraw/zinc/36/72/08/437367208.db2.gz UQCZWFSGXLVOME-INIZCTEOSA-N 2 1 345.495 0.891 20 30 ECEDMP C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)CC[N@H+]1CC(C)(C)O ZINC000329751694 437409803 /nfs/dbraw/zinc/40/98/03/437409803.db2.gz VVBKPSWQWRJEDU-OLZOCXBDSA-N 2 1 335.452 0.958 20 30 ECEDMP C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC[N@@H+]1CC(C)(C)O ZINC000329751694 437409808 /nfs/dbraw/zinc/40/98/08/437409808.db2.gz VVBKPSWQWRJEDU-OLZOCXBDSA-N 2 1 335.452 0.958 20 30 ECEDMP C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC[N@H+]1CC(C)(C)O ZINC000329751694 437409809 /nfs/dbraw/zinc/40/98/09/437409809.db2.gz VVBKPSWQWRJEDU-OLZOCXBDSA-N 2 1 335.452 0.958 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCCOCC2)cc1OC ZINC000187856853 437515934 /nfs/dbraw/zinc/51/59/34/437515934.db2.gz KTZOVBWBLQDKMN-UHFFFAOYSA-N 2 1 336.436 0.830 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCCOCC2)cc1OC ZINC000187856853 437515939 /nfs/dbraw/zinc/51/59/39/437515939.db2.gz KTZOVBWBLQDKMN-UHFFFAOYSA-N 2 1 336.436 0.830 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000343764230 437649047 /nfs/dbraw/zinc/64/90/47/437649047.db2.gz KMULTTOKNRLURU-MRXNPFEDSA-N 2 1 336.480 0.552 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000343764230 437649051 /nfs/dbraw/zinc/64/90/51/437649051.db2.gz KMULTTOKNRLURU-MRXNPFEDSA-N 2 1 336.480 0.552 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000340478666 437658490 /nfs/dbraw/zinc/65/84/90/437658490.db2.gz CSUOXULUDDMUQC-SJORKVTESA-N 2 1 348.491 0.886 20 30 ECEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000193628346 437712524 /nfs/dbraw/zinc/71/25/24/437712524.db2.gz ATMADDDJMCMMGU-BBWFWOEESA-N 2 1 333.480 0.172 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377481698 438311114 /nfs/dbraw/zinc/31/11/14/438311114.db2.gz MUXWQTZNQUHGFQ-UHFFFAOYSA-N 2 1 338.452 0.433 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000359261596 438395343 /nfs/dbraw/zinc/39/53/43/438395343.db2.gz FSCPKIFSDSCWAE-OAHLLOKOSA-N 2 1 338.496 0.990 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000491661996 439422406 /nfs/dbraw/zinc/42/24/06/439422406.db2.gz GKIRWLKSTJICRQ-SJORKVTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[NH+]2CC)C1 ZINC000491661996 439422409 /nfs/dbraw/zinc/42/24/09/439422409.db2.gz GKIRWLKSTJICRQ-SJORKVTESA-N 2 1 348.491 0.391 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656310688 440759815 /nfs/dbraw/zinc/75/98/15/440759815.db2.gz CWPLGJJMZARFRE-SJORKVTESA-N 2 1 348.491 0.886 20 30 ECEDMP C[NH+]1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635788128 440981865 /nfs/dbraw/zinc/98/18/65/440981865.db2.gz XYGNEIKMIUWCLG-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000730285324 578304682 /nfs/dbraw/zinc/30/46/82/578304682.db2.gz MFVOUIYQIIPLBF-INIZCTEOSA-N 2 1 334.464 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000730285324 578304683 /nfs/dbraw/zinc/30/46/83/578304683.db2.gz MFVOUIYQIIPLBF-INIZCTEOSA-N 2 1 334.464 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000769313560 579142596 /nfs/dbraw/zinc/14/25/96/579142596.db2.gz HIRFJDWMIDPWNB-SQNIBIBYSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000769313560 579142597 /nfs/dbraw/zinc/14/25/97/579142597.db2.gz HIRFJDWMIDPWNB-SQNIBIBYSA-N 2 1 333.476 0.968 20 30 ECEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000764538037 579578264 /nfs/dbraw/zinc/57/82/64/579578264.db2.gz FTUQRGFCPFLJSU-MRXNPFEDSA-N 2 1 331.464 0.826 20 30 ECEDMP CC[N@@H+]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000741458401 579774709 /nfs/dbraw/zinc/77/47/09/579774709.db2.gz ZMESJXNVSQGUJO-CQSZACIVSA-N 2 1 341.525 0.891 20 30 ECEDMP CC[N@H+]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000741458401 579774710 /nfs/dbraw/zinc/77/47/10/579774710.db2.gz ZMESJXNVSQGUJO-CQSZACIVSA-N 2 1 341.525 0.891 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849518839 589339225 /nfs/dbraw/zinc/33/92/25/589339225.db2.gz PEFWZAPTIXUFCM-ROUUACIJSA-N 2 1 343.475 0.623 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849518839 589339227 /nfs/dbraw/zinc/33/92/27/589339227.db2.gz PEFWZAPTIXUFCM-ROUUACIJSA-N 2 1 343.475 0.623 20 30 ECEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864704 589519413 /nfs/dbraw/zinc/51/94/13/589519413.db2.gz FHFLHOSHSUNJDO-MRXNPFEDSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861634463 589869471 /nfs/dbraw/zinc/86/94/71/589869471.db2.gz JHQJKZHWIJSODE-QGZVFWFLSA-N 2 1 336.480 0.742 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1C ZINC000884330980 590807668 /nfs/dbraw/zinc/80/76/68/590807668.db2.gz BZCQSXZRUMVYFL-XYSPPFBYSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1C ZINC000884330980 590807674 /nfs/dbraw/zinc/80/76/74/590807674.db2.gz BZCQSXZRUMVYFL-XYSPPFBYSA-N 2 1 348.447 0.222 20 30 ECEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390331 590818176 /nfs/dbraw/zinc/81/81/76/590818176.db2.gz TUNGHQSLGUIZEZ-CXQGROHYSA-N 2 1 334.464 0.740 20 30 ECEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390331 590818180 /nfs/dbraw/zinc/81/81/80/590818180.db2.gz TUNGHQSLGUIZEZ-CXQGROHYSA-N 2 1 334.464 0.740 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000890362975 591150470 /nfs/dbraw/zinc/15/04/70/591150470.db2.gz JEQWMEJVHHCOFL-MRXNPFEDSA-N 2 1 334.464 0.590 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000890362975 591150472 /nfs/dbraw/zinc/15/04/72/591150472.db2.gz JEQWMEJVHHCOFL-MRXNPFEDSA-N 2 1 334.464 0.590 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000890371052 591154615 /nfs/dbraw/zinc/15/46/15/591154615.db2.gz LIPFZSRMHFXJDZ-INIZCTEOSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000890371052 591154619 /nfs/dbraw/zinc/15/46/19/591154619.db2.gz LIPFZSRMHFXJDZ-INIZCTEOSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000890371052 591154622 /nfs/dbraw/zinc/15/46/22/591154622.db2.gz LIPFZSRMHFXJDZ-INIZCTEOSA-N 2 1 336.480 0.572 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000890371052 591154626 /nfs/dbraw/zinc/15/46/26/591154626.db2.gz LIPFZSRMHFXJDZ-INIZCTEOSA-N 2 1 336.480 0.572 20 30 ECEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000931485083 611544970 /nfs/dbraw/zinc/54/49/70/611544970.db2.gz YBDOWEKHACQNIM-UHFFFAOYSA-N 2 1 330.432 0.563 20 30 ECEDMP CCCCC(N)=NOCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178148960 608949453 /nfs/dbraw/zinc/94/94/53/608949453.db2.gz VNFKSGDLOMHDOM-AWEZNQCLSA-N 2 1 328.457 0.938 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC000939809753 610136508 /nfs/dbraw/zinc/13/65/08/610136508.db2.gz JFFLNWTUYLXKSH-RHSMWYFYSA-N 2 1 344.463 0.097 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940754385 610357405 /nfs/dbraw/zinc/35/74/05/610357405.db2.gz XKNZQHXQIVGTDY-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000941241747 610614614 /nfs/dbraw/zinc/61/46/14/610614614.db2.gz JKAJGBGJACPTFY-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000941241747 610614617 /nfs/dbraw/zinc/61/46/17/610614617.db2.gz JKAJGBGJACPTFY-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000941241747 610614618 /nfs/dbraw/zinc/61/46/18/610614618.db2.gz JKAJGBGJACPTFY-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000941241747 610614621 /nfs/dbraw/zinc/61/46/21/610614621.db2.gz JKAJGBGJACPTFY-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP CC#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408359 610722464 /nfs/dbraw/zinc/72/24/64/610722464.db2.gz CEAQNXUZDCLATR-QZTJIDSGSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000950755764 611891395 /nfs/dbraw/zinc/89/13/95/611891395.db2.gz UCAKTNWJZVSUOR-OAGGEKHMSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000950755764 611891396 /nfs/dbraw/zinc/89/13/96/611891396.db2.gz UCAKTNWJZVSUOR-OAGGEKHMSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000954630302 612466987 /nfs/dbraw/zinc/46/69/87/612466987.db2.gz AKYCIQPERGOODR-IRXDYDNUSA-N 2 1 348.491 0.339 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000954630302 612466990 /nfs/dbraw/zinc/46/69/90/612466990.db2.gz AKYCIQPERGOODR-IRXDYDNUSA-N 2 1 348.491 0.339 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954835760 612729218 /nfs/dbraw/zinc/72/92/18/612729218.db2.gz VZSFFQSSOAFOOZ-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000954835760 612729222 /nfs/dbraw/zinc/72/92/22/612729222.db2.gz VZSFFQSSOAFOOZ-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000954835760 612729224 /nfs/dbraw/zinc/72/92/24/612729224.db2.gz VZSFFQSSOAFOOZ-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000954835760 612729227 /nfs/dbraw/zinc/72/92/27/612729227.db2.gz VZSFFQSSOAFOOZ-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954835760 612729230 /nfs/dbraw/zinc/72/92/30/612729230.db2.gz VZSFFQSSOAFOOZ-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232521 733077101 /nfs/dbraw/zinc/07/71/01/733077101.db2.gz FVCFTGPQOLOOLR-JKSUJKDBSA-N 2 1 348.491 0.342 20 30 ECEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289489 733928236 /nfs/dbraw/zinc/92/82/36/733928236.db2.gz KNPIGYFNNXHZCH-BRWVUGGUSA-N 2 1 331.464 0.521 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCC=C)CCO2 ZINC000972416253 736153977 /nfs/dbraw/zinc/15/39/77/736153977.db2.gz GKNFVSMDKJSCJZ-HKUYNNGSSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC=C)CCO2 ZINC000972416253 736153979 /nfs/dbraw/zinc/15/39/79/736153979.db2.gz GKNFVSMDKJSCJZ-HKUYNNGSSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCC=C)CCO2 ZINC000972416253 736153983 /nfs/dbraw/zinc/15/39/83/736153983.db2.gz GKNFVSMDKJSCJZ-HKUYNNGSSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCC=C)CCO2 ZINC000972416253 736153986 /nfs/dbraw/zinc/15/39/86/736153986.db2.gz GKNFVSMDKJSCJZ-HKUYNNGSSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227449 782522932 /nfs/dbraw/zinc/52/29/32/782522932.db2.gz ZVRWHGXEVCLJTP-KZNAEPCWSA-N 2 1 349.475 0.062 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734978 737569903 /nfs/dbraw/zinc/56/99/03/737569903.db2.gz IOOSMIOZESUEAX-CVEARBPZSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318028 738289504 /nfs/dbraw/zinc/28/95/04/738289504.db2.gz PYAYNFGOYHFUJC-KZNAEPCWSA-N 2 1 347.503 0.929 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000973410819 739223899 /nfs/dbraw/zinc/22/38/99/739223899.db2.gz SDENCAXCBPQZQS-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000973410819 739223905 /nfs/dbraw/zinc/22/39/05/739223905.db2.gz SDENCAXCBPQZQS-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000973410819 739223908 /nfs/dbraw/zinc/22/39/08/739223908.db2.gz SDENCAXCBPQZQS-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000973410819 739223914 /nfs/dbraw/zinc/22/39/14/739223914.db2.gz SDENCAXCBPQZQS-VQHPVUNQSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)CC1 ZINC001083283840 739745289 /nfs/dbraw/zinc/74/52/89/739745289.db2.gz WZIDGQIMKXYFBQ-ZWKOTPCHSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]21 ZINC001025814033 739996519 /nfs/dbraw/zinc/99/65/19/739996519.db2.gz FDWRDUNHTAFLCK-YONAWACDSA-N 2 1 339.443 0.682 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cnccn3)C[C@H]21 ZINC001025814033 739996521 /nfs/dbraw/zinc/99/65/21/739996521.db2.gz FDWRDUNHTAFLCK-YONAWACDSA-N 2 1 339.443 0.682 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001025814091 739997189 /nfs/dbraw/zinc/99/71/89/739997189.db2.gz QUUGESYFJSSPIV-QXCZDIPSSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001025814091 739997193 /nfs/dbraw/zinc/99/71/93/739997193.db2.gz QUUGESYFJSSPIV-QXCZDIPSSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001025814091 739997197 /nfs/dbraw/zinc/99/71/97/739997197.db2.gz QUUGESYFJSSPIV-QXCZDIPSSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC[C@H]3CCOC3)C[C@H]21 ZINC001025814091 739997201 /nfs/dbraw/zinc/99/72/01/739997201.db2.gz QUUGESYFJSSPIV-QXCZDIPSSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814059 739997245 /nfs/dbraw/zinc/99/72/45/739997245.db2.gz KOWIXSFCTCPYCE-ZBRFXRBCSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814059 739997247 /nfs/dbraw/zinc/99/72/47/739997247.db2.gz KOWIXSFCTCPYCE-ZBRFXRBCSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814059 739997251 /nfs/dbraw/zinc/99/72/51/739997251.db2.gz KOWIXSFCTCPYCE-ZBRFXRBCSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814059 739997253 /nfs/dbraw/zinc/99/72/53/739997253.db2.gz KOWIXSFCTCPYCE-ZBRFXRBCSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000973967964 740690723 /nfs/dbraw/zinc/69/07/23/740690723.db2.gz WXDYMKDJVGJNSJ-IXDOHACOSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001029000409 743146411 /nfs/dbraw/zinc/14/64/11/743146411.db2.gz ATFPVENUTXOWOJ-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978904 743262196 /nfs/dbraw/zinc/26/21/96/743262196.db2.gz OKBRZBZQAFGXNN-ZDUSSCGKSA-N 2 1 330.498 0.413 20 30 ECEDMP CC#CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977303521 744847923 /nfs/dbraw/zinc/84/79/23/744847923.db2.gz NKJXSKXRERIOGW-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977303521 744847927 /nfs/dbraw/zinc/84/79/27/744847927.db2.gz NKJXSKXRERIOGW-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999970261 745117595 /nfs/dbraw/zinc/11/75/95/745117595.db2.gz AYQDVJQEHNDEIR-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999970261 745117598 /nfs/dbraw/zinc/11/75/98/745117598.db2.gz AYQDVJQEHNDEIR-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970261 745117602 /nfs/dbraw/zinc/11/76/02/745117602.db2.gz AYQDVJQEHNDEIR-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999970261 745117605 /nfs/dbraw/zinc/11/76/05/745117605.db2.gz AYQDVJQEHNDEIR-CVEARBPZSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999998331 745158429 /nfs/dbraw/zinc/15/84/29/745158429.db2.gz QWPHVVHFZNCWGI-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998331 745158431 /nfs/dbraw/zinc/15/84/31/745158431.db2.gz QWPHVVHFZNCWGI-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998331 745158434 /nfs/dbraw/zinc/15/84/34/745158434.db2.gz QWPHVVHFZNCWGI-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035963 745212609 /nfs/dbraw/zinc/21/26/09/745212609.db2.gz RPBZDWBJRVQURW-INIZCTEOSA-N 2 1 344.463 0.813 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2snnc2C)C1 ZINC000983902549 745480276 /nfs/dbraw/zinc/48/02/76/745480276.db2.gz UELGROFDODFMOG-KKUMJFAQSA-N 2 1 347.488 0.929 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2snnc2C)C1 ZINC000983902549 745480279 /nfs/dbraw/zinc/48/02/79/745480279.db2.gz UELGROFDODFMOG-KKUMJFAQSA-N 2 1 347.488 0.929 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001000918516 745898724 /nfs/dbraw/zinc/89/87/24/745898724.db2.gz GNBXWLWJCKFMOL-HOTGVXAUSA-N 2 1 345.447 0.559 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978826451 746754692 /nfs/dbraw/zinc/75/46/92/746754692.db2.gz GKELSAORIBMYMU-OSYLJGHBSA-N 2 1 331.464 0.928 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994279 746957580 /nfs/dbraw/zinc/95/75/80/746957580.db2.gz ZWQGDKYLHAYWLK-FGTMMUONSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994279 746957585 /nfs/dbraw/zinc/95/75/85/746957585.db2.gz ZWQGDKYLHAYWLK-FGTMMUONSA-N 2 1 343.475 0.617 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985035370 747288488 /nfs/dbraw/zinc/28/84/88/747288488.db2.gz UQMQYPZJCCDJHT-LUKYLMHMSA-N 2 1 348.491 0.600 20 30 ECEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC001105464922 752173787 /nfs/dbraw/zinc/17/37/87/752173787.db2.gz YETVZXVGFUVLGJ-HFCFLWKCSA-N 2 1 349.475 0.470 20 30 ECEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC001105464922 752173791 /nfs/dbraw/zinc/17/37/91/752173791.db2.gz YETVZXVGFUVLGJ-HFCFLWKCSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136000 747469244 /nfs/dbraw/zinc/46/92/44/747469244.db2.gz PWTBUQJXZXXJNL-WBVHZDCISA-N 2 1 329.448 0.472 20 30 ECEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001088326564 748735647 /nfs/dbraw/zinc/73/56/47/748735647.db2.gz SIKDIRWOHVIWJN-IAGOWNOFSA-N 2 1 331.464 0.807 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000979969166 748762977 /nfs/dbraw/zinc/76/29/77/748762977.db2.gz XMXJNVCCHBJZBZ-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000979969166 748762979 /nfs/dbraw/zinc/76/29/79/748762979.db2.gz XMXJNVCCHBJZBZ-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000979969166 748762982 /nfs/dbraw/zinc/76/29/82/748762982.db2.gz XMXJNVCCHBJZBZ-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000979969166 748762985 /nfs/dbraw/zinc/76/29/85/748762985.db2.gz XMXJNVCCHBJZBZ-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccnn3C)C2)CC1 ZINC000980478737 749631415 /nfs/dbraw/zinc/63/14/15/749631415.db2.gz PCYIDLXYCHOXAL-KRWDZBQOSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3ccnn3C)C2)CC1 ZINC000980478737 749631422 /nfs/dbraw/zinc/63/14/22/749631422.db2.gz PCYIDLXYCHOXAL-KRWDZBQOSA-N 2 1 343.475 0.798 20 30 ECEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C(C)=O)CC1 ZINC000262763445 749675166 /nfs/dbraw/zinc/67/51/66/749675166.db2.gz FDAAZTMXCDNLGW-MRXNPFEDSA-N 2 1 341.525 0.553 20 30 ECEDMP CC[NH+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](C(C)C)CC1 ZINC000262814182 749857623 /nfs/dbraw/zinc/85/76/23/749857623.db2.gz WEOUFJMWGDEZHB-KRWDZBQOSA-N 2 1 336.528 0.414 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)[C@@H]2C)CC1 ZINC000987574547 750976035 /nfs/dbraw/zinc/97/60/35/750976035.db2.gz FHMQKXSSTWNDFD-GOEBONIOSA-N 2 1 345.447 0.802 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)[C@@H]2C)CC1 ZINC000987578920 750980974 /nfs/dbraw/zinc/98/09/74/750980974.db2.gz YXESDFKRFSYTSS-GOEBONIOSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC001021092031 752532758 /nfs/dbraw/zinc/53/27/58/752532758.db2.gz BVGZTPCDCDEICH-SHTZXODSSA-N 2 1 331.420 0.460 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000982927161 754216476 /nfs/dbraw/zinc/21/64/76/754216476.db2.gz RYIKSFBDHAKFSP-BBWFWOEESA-N 2 1 348.491 0.389 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001021927623 758072241 /nfs/dbraw/zinc/07/22/41/758072241.db2.gz HQHPPGOFNJAQOK-BBWFWOEESA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001021927623 758072253 /nfs/dbraw/zinc/07/22/53/758072253.db2.gz HQHPPGOFNJAQOK-BBWFWOEESA-N 2 1 328.416 0.626 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001077125458 758290270 /nfs/dbraw/zinc/29/02/70/758290270.db2.gz VNDLMQWKQAOTFS-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001077125458 758290279 /nfs/dbraw/zinc/29/02/79/758290279.db2.gz VNDLMQWKQAOTFS-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001077125458 758290291 /nfs/dbraw/zinc/29/02/91/758290291.db2.gz VNDLMQWKQAOTFS-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001077125458 758290301 /nfs/dbraw/zinc/29/03/01/758290301.db2.gz VNDLMQWKQAOTFS-IKGGRYGDSA-N 2 1 348.491 0.437 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779263 758644586 /nfs/dbraw/zinc/64/45/86/758644586.db2.gz KIJQQJDJOKYFJS-RDJZCZTQSA-N 2 1 346.406 0.766 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001022716854 759031527 /nfs/dbraw/zinc/03/15/27/759031527.db2.gz KKSQELUUIJSIER-XHSDSOJGSA-N 2 1 348.491 0.742 20 30 ECEDMP C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205704 759621574 /nfs/dbraw/zinc/62/15/74/759621574.db2.gz FXZBOLWSDYACSE-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205704 759621585 /nfs/dbraw/zinc/62/15/85/759621585.db2.gz FXZBOLWSDYACSE-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000945381467 760127510 /nfs/dbraw/zinc/12/75/10/760127510.db2.gz JGNQKBBMYNOJAP-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000945381467 760127513 /nfs/dbraw/zinc/12/75/13/760127513.db2.gz JGNQKBBMYNOJAP-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000945381467 760127516 /nfs/dbraw/zinc/12/75/16/760127516.db2.gz JGNQKBBMYNOJAP-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000945381467 760127519 /nfs/dbraw/zinc/12/75/19/760127519.db2.gz JGNQKBBMYNOJAP-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722882 767951529 /nfs/dbraw/zinc/95/15/29/767951529.db2.gz MIYIDASZKULPSI-SQNIBIBYSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722882 767951533 /nfs/dbraw/zinc/95/15/33/767951533.db2.gz MIYIDASZKULPSI-SQNIBIBYSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722882 767951539 /nfs/dbraw/zinc/95/15/39/767951539.db2.gz MIYIDASZKULPSI-SQNIBIBYSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722882 767951542 /nfs/dbraw/zinc/95/15/42/767951542.db2.gz MIYIDASZKULPSI-SQNIBIBYSA-N 2 1 333.476 0.968 20 30 ECEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050543166 760462666 /nfs/dbraw/zinc/46/26/66/760462666.db2.gz VRPHGXNGSDOWTK-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001048533081 760671764 /nfs/dbraw/zinc/67/17/64/760671764.db2.gz PGNFYSJYBUFERG-MHORFTMASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001048533081 760671769 /nfs/dbraw/zinc/67/17/69/760671769.db2.gz PGNFYSJYBUFERG-MHORFTMASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC001048533081 760671774 /nfs/dbraw/zinc/67/17/74/760671774.db2.gz PGNFYSJYBUFERG-MHORFTMASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC001048533081 760671783 /nfs/dbraw/zinc/67/17/83/760671783.db2.gz PGNFYSJYBUFERG-MHORFTMASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001046850576 763231491 /nfs/dbraw/zinc/23/14/91/763231491.db2.gz WRRRQMFJGJVEHC-RDTXWAMCSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001046850576 763231496 /nfs/dbraw/zinc/23/14/96/763231496.db2.gz WRRRQMFJGJVEHC-RDTXWAMCSA-N 2 1 334.464 0.047 20 30 ECEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040725 763664393 /nfs/dbraw/zinc/66/43/93/763664393.db2.gz GEMQNHGMXQWYAB-SJORKVTESA-N 2 1 333.480 0.603 20 30 ECEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040725 763664401 /nfs/dbraw/zinc/66/44/01/763664401.db2.gz GEMQNHGMXQWYAB-SJORKVTESA-N 2 1 333.480 0.603 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)CC1 ZINC001047208794 763803837 /nfs/dbraw/zinc/80/38/37/763803837.db2.gz MJKQCGZPDFTLPK-SZMVWBNQSA-N 2 1 333.476 0.683 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106339588 768165325 /nfs/dbraw/zinc/16/53/25/768165325.db2.gz UQOHHEVYIBKUJZ-HUUCEWRRSA-N 2 1 338.496 0.703 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCOCC2)s1 ZINC001168417520 764334742 /nfs/dbraw/zinc/33/47/42/764334742.db2.gz SIUVLIABBCTGDI-UHFFFAOYSA-N 2 1 336.461 0.938 20 30 ECEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001047626822 764920394 /nfs/dbraw/zinc/92/03/94/764920394.db2.gz GSDVWGWWIKCWDA-QYZOEREBSA-N 2 1 341.455 0.493 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433185 768302015 /nfs/dbraw/zinc/30/20/15/768302015.db2.gz FDZDCXHVFQJMCG-FVQBIDKESA-N 2 1 347.463 0.566 20 30 ECEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)CC[NH+]2CCOCC2)c1 ZINC001168441152 766518814 /nfs/dbraw/zinc/51/88/14/766518814.db2.gz BOOAEUYYIFBSRS-UHFFFAOYSA-N 2 1 330.432 0.876 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035214 766720118 /nfs/dbraw/zinc/72/01/18/766720118.db2.gz HHFUQWTTWRXYMB-DLBZAZTESA-N 2 1 341.459 0.612 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035214 766720125 /nfs/dbraw/zinc/72/01/25/766720125.db2.gz HHFUQWTTWRXYMB-DLBZAZTESA-N 2 1 341.459 0.612 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035544 766721389 /nfs/dbraw/zinc/72/13/89/766721389.db2.gz OUJJYHSCWKEPKV-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036393 766727131 /nfs/dbraw/zinc/72/71/31/766727131.db2.gz ITHJBNGZAXKAJO-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046036393 766727134 /nfs/dbraw/zinc/72/71/34/766727134.db2.gz ITHJBNGZAXKAJO-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046036393 766727138 /nfs/dbraw/zinc/72/71/38/766727138.db2.gz ITHJBNGZAXKAJO-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741453 766828803 /nfs/dbraw/zinc/82/88/03/766828803.db2.gz XABQLGOFBCYVAE-IOSXPMGOSA-N 2 1 329.444 0.454 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064361 766842905 /nfs/dbraw/zinc/84/29/05/766842905.db2.gz LPVQJCQBVGNXMO-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064361 766842916 /nfs/dbraw/zinc/84/29/16/766842916.db2.gz LPVQJCQBVGNXMO-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064361 766842927 /nfs/dbraw/zinc/84/29/27/766842927.db2.gz LPVQJCQBVGNXMO-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@H+](C(C)C)C3)CC2)CC1 ZINC001046086183 766928217 /nfs/dbraw/zinc/92/82/17/766928217.db2.gz MXJXHTYKQYHHSR-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055572297 769148181 /nfs/dbraw/zinc/14/81/81/769148181.db2.gz CATQAXLECRSFQH-INIZCTEOSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106882332 770529952 /nfs/dbraw/zinc/52/99/52/770529952.db2.gz RTSGFDUTHDABTB-OWCLPIDISA-N 2 1 336.480 0.315 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)CC1 ZINC001089564800 771516528 /nfs/dbraw/zinc/51/65/28/771516528.db2.gz JKHLAMJPUWUTEJ-INIZCTEOSA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(CC)n3)C2)CC1 ZINC001019813378 771827997 /nfs/dbraw/zinc/82/79/97/771827997.db2.gz BXBNWXGMSOQAQX-INIZCTEOSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001020250849 772352088 /nfs/dbraw/zinc/35/20/88/772352088.db2.gz UQMFSQJPBYRPED-QAETUUGQSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001020250849 772352095 /nfs/dbraw/zinc/35/20/95/772352095.db2.gz UQMFSQJPBYRPED-QAETUUGQSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nncs2)CC1 ZINC001045321459 775408939 /nfs/dbraw/zinc/40/89/39/775408939.db2.gz RGYXEZZWMCMBDY-HNNXBMFYSA-N 2 1 347.488 0.964 20 30 ECEDMP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027232 790376191 /nfs/dbraw/zinc/37/61/91/790376191.db2.gz UFNSYPJMURKXQA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027232 790376202 /nfs/dbraw/zinc/37/62/02/790376202.db2.gz UFNSYPJMURKXQA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027232 790376213 /nfs/dbraw/zinc/37/62/13/790376213.db2.gz UFNSYPJMURKXQA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027232 790376236 /nfs/dbraw/zinc/37/62/36/790376236.db2.gz UFNSYPJMURKXQA-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028764 790383133 /nfs/dbraw/zinc/38/31/33/790383133.db2.gz BXURRAKOPYUTPL-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028764 790383145 /nfs/dbraw/zinc/38/31/45/790383145.db2.gz BXURRAKOPYUTPL-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028764 790383153 /nfs/dbraw/zinc/38/31/53/790383153.db2.gz BXURRAKOPYUTPL-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028764 790383161 /nfs/dbraw/zinc/38/31/61/790383161.db2.gz BXURRAKOPYUTPL-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664740 775995011 /nfs/dbraw/zinc/99/50/11/775995011.db2.gz OFZHLBKTFLNMQF-DLBZAZTESA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664740 775995024 /nfs/dbraw/zinc/99/50/24/775995024.db2.gz OFZHLBKTFLNMQF-DLBZAZTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCCO)[C@@H]3C2)CC1 ZINC001042369289 780157888 /nfs/dbraw/zinc/15/78/88/780157888.db2.gz WBIBNMFTVRGMGQ-FUHWJXTLSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCOC)[C@H]3C2)CC1 ZINC001042369692 780159398 /nfs/dbraw/zinc/15/93/98/780159398.db2.gz ZZGZCRVYXHITNZ-AEFFLSMTSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382760 783921008 /nfs/dbraw/zinc/92/10/08/783921008.db2.gz PGZUXMLGBYJVGF-NUJGCVRESA-N 2 1 348.491 0.600 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070433693 784060452 /nfs/dbraw/zinc/06/04/52/784060452.db2.gz BCWFLZNGHFTAQH-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070433693 784060460 /nfs/dbraw/zinc/06/04/60/784060460.db2.gz BCWFLZNGHFTAQH-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070433693 784060467 /nfs/dbraw/zinc/06/04/67/784060467.db2.gz BCWFLZNGHFTAQH-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070433693 784060474 /nfs/dbraw/zinc/06/04/74/784060474.db2.gz BCWFLZNGHFTAQH-HOCLYGCPSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001070513230 784214068 /nfs/dbraw/zinc/21/40/68/784214068.db2.gz BHVXRUPLMRWKED-GOEBONIOSA-N 2 1 326.404 0.142 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001070992494 784346480 /nfs/dbraw/zinc/34/64/80/784346480.db2.gz KZPDILIISPJDRQ-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001070992494 784346484 /nfs/dbraw/zinc/34/64/84/784346484.db2.gz KZPDILIISPJDRQ-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001070992494 784346495 /nfs/dbraw/zinc/34/64/95/784346495.db2.gz KZPDILIISPJDRQ-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001070992494 784346506 /nfs/dbraw/zinc/34/65/06/784346506.db2.gz KZPDILIISPJDRQ-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015414 784420904 /nfs/dbraw/zinc/42/09/04/784420904.db2.gz CQUAETBELXXDJU-UHFFFAOYSA-N 2 1 348.491 0.699 20 30 ECEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740014 787090639 /nfs/dbraw/zinc/09/06/39/787090639.db2.gz AVSMTYGWBZITPJ-HOTGVXAUSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740014 787090650 /nfs/dbraw/zinc/09/06/50/787090650.db2.gz AVSMTYGWBZITPJ-HOTGVXAUSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740014 787090657 /nfs/dbraw/zinc/09/06/57/787090657.db2.gz AVSMTYGWBZITPJ-HOTGVXAUSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740010 787091173 /nfs/dbraw/zinc/09/11/73/787091173.db2.gz AVSMTYGWBZITPJ-CVEARBPZSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740010 787091179 /nfs/dbraw/zinc/09/11/79/787091179.db2.gz AVSMTYGWBZITPJ-CVEARBPZSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740010 787091184 /nfs/dbraw/zinc/09/11/84/787091184.db2.gz AVSMTYGWBZITPJ-CVEARBPZSA-N 2 1 325.453 0.489 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942211 790218296 /nfs/dbraw/zinc/21/82/96/790218296.db2.gz RPCBIWAKQGAWCR-IKGGRYGDSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942211 790218298 /nfs/dbraw/zinc/21/82/98/790218298.db2.gz RPCBIWAKQGAWCR-IKGGRYGDSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942211 790218305 /nfs/dbraw/zinc/21/83/05/790218305.db2.gz RPCBIWAKQGAWCR-IKGGRYGDSA-N 2 1 344.463 0.517 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942211 790218311 /nfs/dbraw/zinc/21/83/11/790218311.db2.gz RPCBIWAKQGAWCR-IKGGRYGDSA-N 2 1 344.463 0.517 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267558720 837767210 /nfs/dbraw/zinc/76/72/10/837767210.db2.gz FZBZMLJAKQMJMB-BZUAXINKSA-N 2 1 336.480 0.457 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267558720 837767218 /nfs/dbraw/zinc/76/72/18/837767218.db2.gz FZBZMLJAKQMJMB-BZUAXINKSA-N 2 1 336.480 0.457 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001266517806 835930222 /nfs/dbraw/zinc/93/02/22/835930222.db2.gz NPMVTIVLMVSHMD-SJORKVTESA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001266517806 835930226 /nfs/dbraw/zinc/93/02/26/835930226.db2.gz NPMVTIVLMVSHMD-SJORKVTESA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C(C)C)C1 ZINC001266517806 835930230 /nfs/dbraw/zinc/93/02/30/835930230.db2.gz NPMVTIVLMVSHMD-SJORKVTESA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C(C)C)C1 ZINC001266517806 835930235 /nfs/dbraw/zinc/93/02/35/835930235.db2.gz NPMVTIVLMVSHMD-SJORKVTESA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266567768 835997683 /nfs/dbraw/zinc/99/76/83/835997683.db2.gz RMGADUJPNOZGAA-FUHWJXTLSA-N 2 1 344.459 0.782 20 30 ECEDMP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC001266666739 836105943 /nfs/dbraw/zinc/10/59/43/836105943.db2.gz BSADPPHFUCYDGB-QGZVFWFLSA-N 2 1 346.431 0.445 20 30 ECEDMP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001266666739 836105947 /nfs/dbraw/zinc/10/59/47/836105947.db2.gz BSADPPHFUCYDGB-QGZVFWFLSA-N 2 1 346.431 0.445 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266685356 836139666 /nfs/dbraw/zinc/13/96/66/836139666.db2.gz DNBLVPVWRDMSTK-RBGFHDKUSA-N 2 1 336.480 0.644 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001266728945 836207242 /nfs/dbraw/zinc/20/72/42/836207242.db2.gz QPUWEYONJNVZGG-MOPGFXCFSA-N 2 1 343.471 0.736 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001266728945 836207250 /nfs/dbraw/zinc/20/72/50/836207250.db2.gz QPUWEYONJNVZGG-MOPGFXCFSA-N 2 1 343.471 0.736 20 30 ECEDMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001266892486 836441584 /nfs/dbraw/zinc/44/15/84/836441584.db2.gz VXZPQSIWRCHOQS-CABCVRRESA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001266892486 836441586 /nfs/dbraw/zinc/44/15/86/836441586.db2.gz VXZPQSIWRCHOQS-CABCVRRESA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267002211 836595644 /nfs/dbraw/zinc/59/56/44/836595644.db2.gz GSHXOXOWKTVFPZ-DLBZAZTESA-N 2 1 348.491 0.438 20 30 ECEDMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267020995 836639105 /nfs/dbraw/zinc/63/91/05/836639105.db2.gz VOBWGBGXXQVSGL-IBGZPJMESA-N 2 1 341.455 0.951 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267113170 836801279 /nfs/dbraw/zinc/80/12/79/836801279.db2.gz FSEJAZGNPFHYCR-DOTOQJQBSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267113170 836801289 /nfs/dbraw/zinc/80/12/89/836801289.db2.gz FSEJAZGNPFHYCR-DOTOQJQBSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267603877 837932894 /nfs/dbraw/zinc/93/28/94/837932894.db2.gz FMZQKVBMMHEIFS-MRXNPFEDSA-N 2 1 338.496 0.799 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2cnn(CC)n2)CC1 ZINC001267832277 838627121 /nfs/dbraw/zinc/62/71/21/838627121.db2.gz ZHUSGZWNJQDQEO-MRXNPFEDSA-N 2 1 346.479 0.628 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001267945732 838837168 /nfs/dbraw/zinc/83/71/68/838837168.db2.gz WVJJLTUATRIWIL-UHFFFAOYSA-N 2 1 347.463 0.712 20 30 ECEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267963832 838877887 /nfs/dbraw/zinc/87/78/87/838877887.db2.gz WPFZLAYMFZCSOF-DLBZAZTESA-N 2 1 344.459 0.984 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC)CCCC1 ZINC001268034564 839095908 /nfs/dbraw/zinc/09/59/08/839095908.db2.gz MDJQWGZXLYZKHD-HNNXBMFYSA-N 2 1 334.464 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC)CCCC1 ZINC001268034564 839095914 /nfs/dbraw/zinc/09/59/14/839095914.db2.gz MDJQWGZXLYZKHD-HNNXBMFYSA-N 2 1 334.464 0.239 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293270123 436862263 /nfs/dbraw/zinc/86/22/63/436862263.db2.gz FQCPUNAEVWWNHD-UHFFFAOYSA-N 2 1 327.388 0.653 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293270123 436862266 /nfs/dbraw/zinc/86/22/66/436862266.db2.gz FQCPUNAEVWWNHD-UHFFFAOYSA-N 2 1 327.388 0.653 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccc(OC)cc1 ZINC000264095072 437017444 /nfs/dbraw/zinc/01/74/44/437017444.db2.gz MJOBGQBWLZOUOF-OAHLLOKOSA-N 2 1 347.463 0.700 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CN(C(=O)OC(C)(C)C)C1 ZINC000304805835 437160818 /nfs/dbraw/zinc/16/08/18/437160818.db2.gz DAFCMINMHRRIOD-CYBMUJFWSA-N 2 1 325.457 0.994 20 30 ECEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN(C)CC2)CCC[N@H+]1C ZINC000329496414 437376907 /nfs/dbraw/zinc/37/69/07/437376907.db2.gz JABXZBMXONDNOA-GOEBONIOSA-N 2 1 334.468 0.964 20 30 ECEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCN(C)CC2)CCCN1C ZINC000329496414 437376913 /nfs/dbraw/zinc/37/69/13/437376913.db2.gz JABXZBMXONDNOA-GOEBONIOSA-N 2 1 334.468 0.964 20 30 ECEDMP C#CCOc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267439738 437327865 /nfs/dbraw/zinc/32/78/65/437327865.db2.gz OVYSMVKWMRPQOJ-UHFFFAOYSA-N 2 1 330.432 0.825 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000290618614 437506466 /nfs/dbraw/zinc/50/64/66/437506466.db2.gz KGLBJKVSHBWIIK-IEBWSBKVSA-N 2 1 346.475 0.779 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343743438 437644911 /nfs/dbraw/zinc/64/49/11/437644911.db2.gz VGXSPMABXTXTFQ-MRXNPFEDSA-N 2 1 334.464 0.448 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343762961 437650258 /nfs/dbraw/zinc/65/02/58/437650258.db2.gz JDTUXFSLIHWJFU-ZBFHGGJFSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478165 437658367 /nfs/dbraw/zinc/65/83/67/437658367.db2.gz AENGIXGRRBTQCH-HZPDHXFCSA-N 2 1 334.464 0.496 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000378448450 438389286 /nfs/dbraw/zinc/38/92/86/438389286.db2.gz CVMXCWQVGPEUAL-NXOAAHMSSA-N 2 1 334.464 0.980 20 30 ECEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000548849388 438734151 /nfs/dbraw/zinc/73/41/51/438734151.db2.gz LXKLAPVTFYENDJ-UHFFFAOYSA-N 2 1 347.511 1.144 20 30 ECEDMP CN1C[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000580212898 439074399 /nfs/dbraw/zinc/07/43/99/439074399.db2.gz ADVQZRHXIXAUJA-HOTGVXAUSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000490635383 439283286 /nfs/dbraw/zinc/28/32/86/439283286.db2.gz GYWGPDFCUYBQRU-UHFFFAOYSA-N 2 1 334.464 0.000 20 30 ECEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000527128020 439255073 /nfs/dbraw/zinc/25/50/73/439255073.db2.gz UQMYYKWWHOLYSW-UHFFFAOYSA-N 2 1 347.507 0.898 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000491264909 439359829 /nfs/dbraw/zinc/35/98/29/439359829.db2.gz IRIHZTIDLBNFBR-UHFFFAOYSA-N 2 1 331.464 0.703 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000491264909 439359834 /nfs/dbraw/zinc/35/98/34/439359834.db2.gz IRIHZTIDLBNFBR-UHFFFAOYSA-N 2 1 331.464 0.703 20 30 ECEDMP C#CCN1C(=O)C[C@@H]([NH+]2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000491637049 439417228 /nfs/dbraw/zinc/41/72/28/439417228.db2.gz UIQSPZOASVVTOC-QGZVFWFLSA-N 2 1 349.475 0.818 20 30 ECEDMP N#Cc1ccc(CC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000600713096 439694414 /nfs/dbraw/zinc/69/44/14/439694414.db2.gz DRFZZBZVEUFADE-UHFFFAOYSA-N 2 1 327.432 0.744 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000668836195 547763428 /nfs/dbraw/zinc/76/34/28/547763428.db2.gz SOMMRIVSITYHHG-INIZCTEOSA-N 2 1 336.480 0.696 20 30 ECEDMP C#C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCCO1 ZINC000776232974 579278379 /nfs/dbraw/zinc/27/83/79/579278379.db2.gz UUOCCRAZKSPHTD-DLBZAZTESA-N 2 1 336.480 0.835 20 30 ECEDMP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2F)CC1 ZINC000834488180 588902834 /nfs/dbraw/zinc/90/28/34/588902834.db2.gz ABZNWIAXWRYIPX-HOCLYGCPSA-N 2 1 345.422 0.809 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879122085 590564780 /nfs/dbraw/zinc/56/47/80/590564780.db2.gz JBFRXEYIEBTGPB-UHFFFAOYSA-N 2 1 326.441 0.288 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H]1C ZINC000884330981 590808043 /nfs/dbraw/zinc/80/80/43/590808043.db2.gz BZCQSXZRUMVYFL-YOFIQYCBSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H]1C ZINC000884330981 590808046 /nfs/dbraw/zinc/80/80/46/590808046.db2.gz BZCQSXZRUMVYFL-YOFIQYCBSA-N 2 1 348.447 0.222 20 30 ECEDMP C[NH+](C)Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104171744 591052952 /nfs/dbraw/zinc/05/29/52/591052952.db2.gz VSURCNKHGZBEGK-UHFFFAOYSA-N 3 1 333.480 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000890360829 591150380 /nfs/dbraw/zinc/15/03/80/591150380.db2.gz CSMCYXOKFPUKBQ-IRXDYDNUSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000890360829 591150382 /nfs/dbraw/zinc/15/03/82/591150382.db2.gz CSMCYXOKFPUKBQ-IRXDYDNUSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000929991307 611376827 /nfs/dbraw/zinc/37/68/27/611376827.db2.gz FLHFVJXXSUDEJG-MRXNPFEDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481155 611434075 /nfs/dbraw/zinc/43/40/75/611434075.db2.gz SRGJXYCMTPRXQX-GJZGRUSLSA-N 2 1 346.475 0.284 20 30 ECEDMP C[NH+]=C(NCc1ccnc(C)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179088056 608931694 /nfs/dbraw/zinc/93/16/94/608931694.db2.gz ROMKWEUODTUMHD-OAHLLOKOSA-N 2 1 332.452 0.515 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000948630723 611672791 /nfs/dbraw/zinc/67/27/91/611672791.db2.gz BKSSVCGPEYWXIF-VIHIWDAPSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630723 611672794 /nfs/dbraw/zinc/67/27/94/611672794.db2.gz BKSSVCGPEYWXIF-VIHIWDAPSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000948630723 611672797 /nfs/dbraw/zinc/67/27/97/611672797.db2.gz BKSSVCGPEYWXIF-VIHIWDAPSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000938171073 609483204 /nfs/dbraw/zinc/48/32/04/609483204.db2.gz VRYHYCWLJBJWRL-XHSDSOJGSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000938171073 609483206 /nfs/dbraw/zinc/48/32/06/609483206.db2.gz VRYHYCWLJBJWRL-XHSDSOJGSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000910881991 609772454 /nfs/dbraw/zinc/77/24/54/609772454.db2.gz AEXHNSUVFQKPRR-MRXNPFEDSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC000939812955 610137642 /nfs/dbraw/zinc/13/76/42/610137642.db2.gz WXGYDMXXDLRXDT-NVXWUHKLSA-N 2 1 341.459 0.758 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000941628067 610416355 /nfs/dbraw/zinc/41/63/55/610416355.db2.gz OKEXHWOPXDJURP-UHFFFAOYSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941674408 610447536 /nfs/dbraw/zinc/44/75/36/610447536.db2.gz AJOIFTPYUWTHDP-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674408 610447537 /nfs/dbraw/zinc/44/75/37/610447537.db2.gz AJOIFTPYUWTHDP-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896456 611236902 /nfs/dbraw/zinc/23/69/02/611236902.db2.gz JTKOOGKXIMXBAH-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896456 611236904 /nfs/dbraw/zinc/23/69/04/611236904.db2.gz JTKOOGKXIMXBAH-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896456 611236905 /nfs/dbraw/zinc/23/69/05/611236905.db2.gz JTKOOGKXIMXBAH-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896456 611236907 /nfs/dbraw/zinc/23/69/07/611236907.db2.gz JTKOOGKXIMXBAH-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000954632150 612471073 /nfs/dbraw/zinc/47/10/73/612471073.db2.gz PHXRUQHBAYRVMH-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000954632150 612471076 /nfs/dbraw/zinc/47/10/76/612471076.db2.gz PHXRUQHBAYRVMH-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954632150 612471080 /nfs/dbraw/zinc/47/10/80/612471080.db2.gz PHXRUQHBAYRVMH-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000954632150 612471081 /nfs/dbraw/zinc/47/10/81/612471081.db2.gz PHXRUQHBAYRVMH-OIISXLGYSA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cncn1C ZINC001024987568 738461876 /nfs/dbraw/zinc/46/18/76/738461876.db2.gz MPICTHFMEUBBQX-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cncn1C ZINC001024987568 738461878 /nfs/dbraw/zinc/46/18/78/738461878.db2.gz MPICTHFMEUBBQX-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261951086 734866341 /nfs/dbraw/zinc/86/63/41/734866341.db2.gz HKLOFXSURDHPSL-IUODEOHRSA-N 2 1 330.436 0.668 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676601 734941068 /nfs/dbraw/zinc/94/10/68/734941068.db2.gz GBEYKZUTTCBUHY-HOTGVXAUSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566585 735840414 /nfs/dbraw/zinc/84/04/14/735840414.db2.gz CQFBWEYBHHAMDH-MRXNPFEDSA-N 2 1 325.453 0.178 20 30 ECEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566585 735840416 /nfs/dbraw/zinc/84/04/16/735840416.db2.gz CQFBWEYBHHAMDH-MRXNPFEDSA-N 2 1 325.453 0.178 20 30 ECEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566585 735840419 /nfs/dbraw/zinc/84/04/19/735840419.db2.gz CQFBWEYBHHAMDH-MRXNPFEDSA-N 2 1 325.453 0.178 20 30 ECEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566585 735840423 /nfs/dbraw/zinc/84/04/23/735840423.db2.gz CQFBWEYBHHAMDH-MRXNPFEDSA-N 2 1 325.453 0.178 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001023761927 737326380 /nfs/dbraw/zinc/32/63/80/737326380.db2.gz MVLBARDEDFUJEW-CABCVRRESA-N 2 1 334.464 0.034 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000973410803 739223947 /nfs/dbraw/zinc/22/39/47/739223947.db2.gz QGIBPQSFWSYQRD-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000973410803 739223952 /nfs/dbraw/zinc/22/39/52/739223952.db2.gz QGIBPQSFWSYQRD-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000973410803 739223954 /nfs/dbraw/zinc/22/39/54/739223954.db2.gz QGIBPQSFWSYQRD-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000973410803 739223961 /nfs/dbraw/zinc/22/39/61/739223961.db2.gz QGIBPQSFWSYQRD-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104676387 739457492 /nfs/dbraw/zinc/45/74/92/739457492.db2.gz HVELGPVPLSJTNX-OWCLPIDISA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000974263365 741193366 /nfs/dbraw/zinc/19/33/66/741193366.db2.gz SDENCAXCBPQZQS-YVSFHVDLSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000974263365 741193367 /nfs/dbraw/zinc/19/33/67/741193367.db2.gz SDENCAXCBPQZQS-YVSFHVDLSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000974263365 741193369 /nfs/dbraw/zinc/19/33/69/741193369.db2.gz SDENCAXCBPQZQS-YVSFHVDLSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000974263365 741193370 /nfs/dbraw/zinc/19/33/70/741193370.db2.gz SDENCAXCBPQZQS-YVSFHVDLSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001026508986 741496080 /nfs/dbraw/zinc/49/60/80/741496080.db2.gz SZPDXUFICQIEGU-DQPZFDDXSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001026508986 741496084 /nfs/dbraw/zinc/49/60/84/741496084.db2.gz SZPDXUFICQIEGU-DQPZFDDXSA-N 2 1 344.463 0.430 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240502 741531581 /nfs/dbraw/zinc/53/15/81/741531581.db2.gz PNTYZNBMTXQUBW-HOCLYGCPSA-N 2 1 344.463 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240502 741531583 /nfs/dbraw/zinc/53/15/83/741531583.db2.gz PNTYZNBMTXQUBW-HOCLYGCPSA-N 2 1 344.463 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264623 741595882 /nfs/dbraw/zinc/59/58/82/741595882.db2.gz NWYSTCKIQUMZDV-HNNXBMFYSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264623 741595885 /nfs/dbraw/zinc/59/58/85/741595885.db2.gz NWYSTCKIQUMZDV-HNNXBMFYSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327217 741812384 /nfs/dbraw/zinc/81/23/84/741812384.db2.gz WUSIJLCUTBBUSJ-AWEZNQCLSA-N 2 1 330.436 0.116 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327166 741812688 /nfs/dbraw/zinc/81/26/88/741812688.db2.gz UTBRZFWAGWGADF-BBRMVZONSA-N 2 1 332.452 0.525 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327166 741812694 /nfs/dbraw/zinc/81/26/94/741812694.db2.gz UTBRZFWAGWGADF-BBRMVZONSA-N 2 1 332.452 0.525 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328705 741818593 /nfs/dbraw/zinc/81/85/93/741818593.db2.gz RLLXTYCGBBFULM-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328705 741818599 /nfs/dbraw/zinc/81/85/99/741818599.db2.gz RLLXTYCGBBFULM-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974594412 741928405 /nfs/dbraw/zinc/92/84/05/741928405.db2.gz LCOLHQWADVAENE-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974594412 741928407 /nfs/dbraw/zinc/92/84/07/741928407.db2.gz LCOLHQWADVAENE-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC001026892956 742036624 /nfs/dbraw/zinc/03/66/24/742036624.db2.gz FHDKNBPYYLQSOE-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC001026892956 742036627 /nfs/dbraw/zinc/03/66/27/742036627.db2.gz FHDKNBPYYLQSOE-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CC)C1 ZINC001026893427 742037708 /nfs/dbraw/zinc/03/77/08/742037708.db2.gz GLQSQTALCLPPAA-CVEARBPZSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncnn2CC)C1 ZINC001026893427 742037711 /nfs/dbraw/zinc/03/77/11/742037711.db2.gz GLQSQTALCLPPAA-CVEARBPZSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822454 742217542 /nfs/dbraw/zinc/21/75/42/742217542.db2.gz BEDVOELXCIGFPA-BWRBCVJASA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@@]2(C)C1 ZINC000982282811 751860699 /nfs/dbraw/zinc/86/06/99/751860699.db2.gz ICEDEUIYYBGQJP-PBWTXFEYSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@@]2(C)C1 ZINC000982282811 751860708 /nfs/dbraw/zinc/86/07/08/751860708.db2.gz ICEDEUIYYBGQJP-PBWTXFEYSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@@]2(C)C1 ZINC000982282811 751860720 /nfs/dbraw/zinc/86/07/20/751860720.db2.gz ICEDEUIYYBGQJP-PBWTXFEYSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC000999391320 744671525 /nfs/dbraw/zinc/67/15/25/744671525.db2.gz KKRMZGRVUQDRTD-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC000999391320 744671529 /nfs/dbraw/zinc/67/15/29/744671529.db2.gz KKRMZGRVUQDRTD-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960089 745101436 /nfs/dbraw/zinc/10/14/36/745101436.db2.gz BMGLPOZSFDANOD-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960089 745101441 /nfs/dbraw/zinc/10/14/41/745101441.db2.gz BMGLPOZSFDANOD-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960089 745101446 /nfs/dbraw/zinc/10/14/46/745101446.db2.gz BMGLPOZSFDANOD-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158597 745299208 /nfs/dbraw/zinc/29/92/08/745299208.db2.gz VKYPUGLILWBJDS-DLBZAZTESA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978258154 746128286 /nfs/dbraw/zinc/12/82/86/746128286.db2.gz RSVSQQPZFAZETH-ZJPYXAASSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258154 746128288 /nfs/dbraw/zinc/12/82/88/746128288.db2.gz RSVSQQPZFAZETH-ZJPYXAASSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978258154 746128290 /nfs/dbraw/zinc/12/82/90/746128290.db2.gz RSVSQQPZFAZETH-ZJPYXAASSA-N 2 1 331.460 0.557 20 30 ECEDMP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261675017 752077987 /nfs/dbraw/zinc/07/79/87/752077987.db2.gz HBXWZKYHZMDYAZ-OAHLLOKOSA-N 2 1 334.468 0.838 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098716425 747236752 /nfs/dbraw/zinc/23/67/52/747236752.db2.gz XXAMKTZVWYUQPR-JKSUJKDBSA-N 2 1 334.468 0.913 20 30 ECEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001105414645 747781313 /nfs/dbraw/zinc/78/13/13/747781313.db2.gz DPYCCPSJIZGYIO-GGPKGHCWSA-N 2 1 341.455 0.756 20 30 ECEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001105414645 747781315 /nfs/dbraw/zinc/78/13/15/747781315.db2.gz DPYCCPSJIZGYIO-GGPKGHCWSA-N 2 1 341.455 0.756 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001002834607 747855568 /nfs/dbraw/zinc/85/55/68/747855568.db2.gz GSWOUAVWHFJALO-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001002834607 747855578 /nfs/dbraw/zinc/85/55/78/747855578.db2.gz GSWOUAVWHFJALO-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001002837146 747859600 /nfs/dbraw/zinc/85/96/00/747859600.db2.gz YMSFOUHMOJNTOB-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001002837146 747859618 /nfs/dbraw/zinc/85/96/18/747859618.db2.gz YMSFOUHMOJNTOB-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001002837146 747859627 /nfs/dbraw/zinc/85/96/27/747859627.db2.gz YMSFOUHMOJNTOB-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001002837146 747859637 /nfs/dbraw/zinc/85/96/37/747859637.db2.gz YMSFOUHMOJNTOB-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262508991 747934434 /nfs/dbraw/zinc/93/44/34/747934434.db2.gz AVLNBWWWRALWHY-GJZGRUSLSA-N 2 1 339.484 0.225 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC000980477419 749629658 /nfs/dbraw/zinc/62/96/58/749629658.db2.gz GQKLRHMSNFRKCX-KRWDZBQOSA-N 2 1 344.463 0.156 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCCNC2=O)CC1 ZINC001028333802 752413352 /nfs/dbraw/zinc/41/33/52/752413352.db2.gz RHQRJYKTFDJKOD-DLBZAZTESA-N 2 1 346.475 0.191 20 30 ECEDMP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465469 752754784 /nfs/dbraw/zinc/75/47/84/752754784.db2.gz LATJIZRDVUWHAL-MAUKXSAKSA-N 2 1 342.443 0.827 20 30 ECEDMP CN1CCO[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001028465469 752754792 /nfs/dbraw/zinc/75/47/92/752754792.db2.gz LATJIZRDVUWHAL-MAUKXSAKSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685331 753765834 /nfs/dbraw/zinc/76/58/34/753765834.db2.gz FKISEEJOYSVZNE-IAGOWNOFSA-N 2 1 344.463 0.649 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000990570449 755423584 /nfs/dbraw/zinc/42/35/84/755423584.db2.gz OQFPUMMTLJSEOZ-GOSISDBHSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000990570449 755423587 /nfs/dbraw/zinc/42/35/87/755423587.db2.gz OQFPUMMTLJSEOZ-GOSISDBHSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030020035 755576372 /nfs/dbraw/zinc/57/63/72/755576372.db2.gz BOJTXVVLUGHWFW-HRCADAONSA-N 2 1 334.464 0.448 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070690 756056198 /nfs/dbraw/zinc/05/61/98/756056198.db2.gz WVAYYPNXACRRIU-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070690 756056204 /nfs/dbraw/zinc/05/62/04/756056204.db2.gz WVAYYPNXACRRIU-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070690 756056210 /nfs/dbraw/zinc/05/62/10/756056210.db2.gz WVAYYPNXACRRIU-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869662 757237089 /nfs/dbraw/zinc/23/70/89/757237089.db2.gz COIDWHBLFQWMEO-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869662 757237098 /nfs/dbraw/zinc/23/70/98/757237098.db2.gz COIDWHBLFQWMEO-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869662 757237106 /nfs/dbraw/zinc/23/71/06/757237106.db2.gz COIDWHBLFQWMEO-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001048869662 757237114 /nfs/dbraw/zinc/23/71/14/757237114.db2.gz COIDWHBLFQWMEO-YRXWBPOGSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001022220528 758440644 /nfs/dbraw/zinc/44/06/44/758440644.db2.gz IKDVLYFBGNAHFC-QXSJWSMHSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001022220528 758440652 /nfs/dbraw/zinc/44/06/52/758440652.db2.gz IKDVLYFBGNAHFC-QXSJWSMHSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001022220530 758441386 /nfs/dbraw/zinc/44/13/86/758441386.db2.gz IMIILYCSQZXIBK-DAYGRLMNSA-N 2 1 341.459 0.664 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001022220530 758441389 /nfs/dbraw/zinc/44/13/89/758441389.db2.gz IMIILYCSQZXIBK-DAYGRLMNSA-N 2 1 341.459 0.664 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001022220862 758441496 /nfs/dbraw/zinc/44/14/96/758441496.db2.gz RZSIJSPXKJJMQI-KSZLIROESA-N 2 1 343.475 0.834 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001022220862 758441500 /nfs/dbraw/zinc/44/15/00/758441500.db2.gz RZSIJSPXKJJMQI-KSZLIROESA-N 2 1 343.475 0.834 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC001127779495 758623454 /nfs/dbraw/zinc/62/34/54/758623454.db2.gz MLJUZYGFHQUOEY-DLBZAZTESA-N 2 1 328.416 0.627 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCCn2cc[nH+]c2C)C1=O ZINC001168368954 758854476 /nfs/dbraw/zinc/85/44/76/758854476.db2.gz IUVVXLQQFKMLPI-INIZCTEOSA-N 2 1 347.463 0.855 20 30 ECEDMP C=CCN1CC[C@@H](N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205705 759621926 /nfs/dbraw/zinc/62/19/26/759621926.db2.gz FXZBOLWSDYACSE-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205705 759621931 /nfs/dbraw/zinc/62/19/31/759621931.db2.gz FXZBOLWSDYACSE-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210858 767929911 /nfs/dbraw/zinc/92/99/11/767929911.db2.gz FPVONYBPPUSHAB-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP C=C(C)CN1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782703 760468776 /nfs/dbraw/zinc/46/87/76/760468776.db2.gz HWLNQNKIGZXQPP-CVEARBPZSA-N 2 1 334.420 0.621 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]3C2)C1=O ZINC001048723764 761045602 /nfs/dbraw/zinc/04/56/02/761045602.db2.gz OTJUJDSEAFCMFU-YYIAUSFCSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723764 761045611 /nfs/dbraw/zinc/04/56/11/761045611.db2.gz OTJUJDSEAFCMFU-YYIAUSFCSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723764 761045620 /nfs/dbraw/zinc/04/56/20/761045620.db2.gz OTJUJDSEAFCMFU-YYIAUSFCSA-N 2 1 346.475 0.258 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000991487198 761178285 /nfs/dbraw/zinc/17/82/85/761178285.db2.gz RMJWOAFSEVHZQA-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000991487198 761178290 /nfs/dbraw/zinc/17/82/90/761178290.db2.gz RMJWOAFSEVHZQA-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000991487198 761178296 /nfs/dbraw/zinc/17/82/96/761178296.db2.gz RMJWOAFSEVHZQA-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000991487198 761178300 /nfs/dbraw/zinc/17/83/00/761178300.db2.gz RMJWOAFSEVHZQA-IRXDYDNUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001106247001 768011352 /nfs/dbraw/zinc/01/13/52/768011352.db2.gz UFEXUCHYFAWZHF-JFIYKMOQSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044736 763679917 /nfs/dbraw/zinc/67/99/17/763679917.db2.gz LDGARJQHGXWWQH-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501755 763784083 /nfs/dbraw/zinc/78/40/83/763784083.db2.gz GZRHZDXACFDGMW-SFHVURJKSA-N 2 1 332.492 0.875 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)CC1 ZINC001047209841 763805059 /nfs/dbraw/zinc/80/50/59/763805059.db2.gz YARBTMHNYDBAMF-UAGQMJEPSA-N 2 1 346.475 0.047 20 30 ECEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118470 763931519 /nfs/dbraw/zinc/93/15/19/763931519.db2.gz PSNMASCQCWMURH-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778601 764302824 /nfs/dbraw/zinc/30/28/24/764302824.db2.gz RDEWFYXTZJHBPA-OLMNPRSZSA-N 2 1 342.443 0.704 20 30 ECEDMP C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778601 764302834 /nfs/dbraw/zinc/30/28/34/764302834.db2.gz RDEWFYXTZJHBPA-OLMNPRSZSA-N 2 1 342.443 0.704 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001052457844 764542886 /nfs/dbraw/zinc/54/28/86/764542886.db2.gz WEBKXXQYCIYVIF-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC001052457844 764542892 /nfs/dbraw/zinc/54/28/92/764542892.db2.gz WEBKXXQYCIYVIF-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)N2CCC2)CC1 ZINC001052457844 764542899 /nfs/dbraw/zinc/54/28/99/764542899.db2.gz WEBKXXQYCIYVIF-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)N2CCC2)CC1 ZINC001052457844 764542903 /nfs/dbraw/zinc/54/29/03/764542903.db2.gz WEBKXXQYCIYVIF-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937681 764800159 /nfs/dbraw/zinc/80/01/59/764800159.db2.gz WPDVFZHWYMHMDM-NNMQDGNJSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937681 764800167 /nfs/dbraw/zinc/80/01/67/764800167.db2.gz WPDVFZHWYMHMDM-NNMQDGNJSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937681 764800173 /nfs/dbraw/zinc/80/01/73/764800173.db2.gz WPDVFZHWYMHMDM-NNMQDGNJSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955220 764930925 /nfs/dbraw/zinc/93/09/25/764930925.db2.gz LUPSVRIZTLGMCF-WOKXDISNSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955220 764930931 /nfs/dbraw/zinc/93/09/31/764930931.db2.gz LUPSVRIZTLGMCF-WOKXDISNSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991955220 764930937 /nfs/dbraw/zinc/93/09/37/764930937.db2.gz LUPSVRIZTLGMCF-WOKXDISNSA-N 2 1 329.444 0.596 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958086 764943363 /nfs/dbraw/zinc/94/33/63/764943363.db2.gz SZYWFXPMJXUYIL-XGVWBKLPSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958086 764943367 /nfs/dbraw/zinc/94/33/67/764943367.db2.gz SZYWFXPMJXUYIL-XGVWBKLPSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958086 764943373 /nfs/dbraw/zinc/94/33/73/764943373.db2.gz SZYWFXPMJXUYIL-XGVWBKLPSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)CC1 ZINC001052952358 765407871 /nfs/dbraw/zinc/40/78/71/765407871.db2.gz CQJWTIDOYUJRMZ-IRXDYDNUSA-N 2 1 348.491 0.566 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001016338158 766146827 /nfs/dbraw/zinc/14/68/27/766146827.db2.gz XHMUMDSGUYXHDC-FUHWJXTLSA-N 2 1 333.476 0.949 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014493 766646428 /nfs/dbraw/zinc/64/64/28/766646428.db2.gz YDUYRCVOXVNHJE-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014493 766646435 /nfs/dbraw/zinc/64/64/35/766646435.db2.gz YDUYRCVOXVNHJE-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014493 766646442 /nfs/dbraw/zinc/64/64/42/766646442.db2.gz YDUYRCVOXVNHJE-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014493 766646446 /nfs/dbraw/zinc/64/64/46/766646446.db2.gz YDUYRCVOXVNHJE-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1=O ZINC001031715712 766726394 /nfs/dbraw/zinc/72/63/94/766726394.db2.gz YNQXZBMMJHCSQY-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715712 766726399 /nfs/dbraw/zinc/72/63/99/766726399.db2.gz YNQXZBMMJHCSQY-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046036391 766727220 /nfs/dbraw/zinc/72/72/20/766727220.db2.gz ITHJBNGZAXKAJO-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046036391 766727224 /nfs/dbraw/zinc/72/72/24/766727224.db2.gz ITHJBNGZAXKAJO-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046036391 766727228 /nfs/dbraw/zinc/72/72/28/766727228.db2.gz ITHJBNGZAXKAJO-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513869 766754134 /nfs/dbraw/zinc/75/41/34/766754134.db2.gz WZZBKRRYXQZGSH-AYBZRNKSSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042968 766759436 /nfs/dbraw/zinc/75/94/36/766759436.db2.gz QFMZSZLAUXMMMR-QGZVFWFLSA-N 2 1 330.476 0.467 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077458 766907321 /nfs/dbraw/zinc/90/73/21/766907321.db2.gz WLLLLGOKYGDUCB-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077458 766907328 /nfs/dbraw/zinc/90/73/28/766907328.db2.gz WLLLLGOKYGDUCB-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077458 766907333 /nfs/dbraw/zinc/90/73/33/766907333.db2.gz WLLLLGOKYGDUCB-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001046080151 766915258 /nfs/dbraw/zinc/91/52/58/766915258.db2.gz ASAIVLJPZAGPFH-INIZCTEOSA-N 2 1 329.448 0.502 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046083981 766923702 /nfs/dbraw/zinc/92/37/02/766923702.db2.gz GJJFWOHVLKFHBT-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046083981 766923705 /nfs/dbraw/zinc/92/37/05/766923705.db2.gz GJJFWOHVLKFHBT-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084266 766924239 /nfs/dbraw/zinc/92/42/39/766924239.db2.gz OOKNRQWLDVVQFK-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084266 766924243 /nfs/dbraw/zinc/92/42/43/766924243.db2.gz OOKNRQWLDVVQFK-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001018266443 769000640 /nfs/dbraw/zinc/00/06/40/769000640.db2.gz OJEVELVQIJQZBB-NCOADZHNSA-N 2 1 346.475 0.400 20 30 ECEDMP C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055567064 769130194 /nfs/dbraw/zinc/13/01/94/769130194.db2.gz VXQNFROLYCZMAO-KRWDZBQOSA-N 2 1 348.491 0.581 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001055590218 769195803 /nfs/dbraw/zinc/19/58/03/769195803.db2.gz JDXWGFYKEMATNL-AWEZNQCLSA-N 2 1 349.479 0.327 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001018663714 769734112 /nfs/dbraw/zinc/73/41/12/769734112.db2.gz NGGXXQYRTXREGP-RDJZCZTQSA-N 2 1 346.406 0.718 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001018663714 769734116 /nfs/dbraw/zinc/73/41/16/769734116.db2.gz NGGXXQYRTXREGP-RDJZCZTQSA-N 2 1 346.406 0.718 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001018985890 770484313 /nfs/dbraw/zinc/48/43/13/770484313.db2.gz KWUBMKBXZCDVAX-HOTGVXAUSA-N 2 1 344.463 0.395 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001018985890 770484317 /nfs/dbraw/zinc/48/43/17/770484317.db2.gz KWUBMKBXZCDVAX-HOTGVXAUSA-N 2 1 344.463 0.395 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001020045771 772107583 /nfs/dbraw/zinc/10/75/83/772107583.db2.gz KTVKHBJOXHMUHF-LALPHHSUSA-N 2 1 334.445 0.687 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001020045771 772107586 /nfs/dbraw/zinc/10/75/86/772107586.db2.gz KTVKHBJOXHMUHF-LALPHHSUSA-N 2 1 334.445 0.687 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC001020250460 772349913 /nfs/dbraw/zinc/34/99/13/772349913.db2.gz GEPFGAPVJSUPST-DZKIICNBSA-N 2 1 330.436 0.132 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC001020250460 772349919 /nfs/dbraw/zinc/34/99/19/772349919.db2.gz GEPFGAPVJSUPST-DZKIICNBSA-N 2 1 330.436 0.132 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001020250809 772352326 /nfs/dbraw/zinc/35/23/26/772352326.db2.gz RYFAZHUIDUNMFS-JKQORVJESA-N 2 1 327.432 0.872 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC001020250809 772352331 /nfs/dbraw/zinc/35/23/31/772352331.db2.gz RYFAZHUIDUNMFS-JKQORVJESA-N 2 1 327.432 0.872 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027081 790375712 /nfs/dbraw/zinc/37/57/12/790375712.db2.gz QYZASOLFPYJHMJ-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027081 790375724 /nfs/dbraw/zinc/37/57/24/790375724.db2.gz QYZASOLFPYJHMJ-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027081 790375741 /nfs/dbraw/zinc/37/57/41/790375741.db2.gz QYZASOLFPYJHMJ-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027081 790375751 /nfs/dbraw/zinc/37/57/51/790375751.db2.gz QYZASOLFPYJHMJ-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664757 775995448 /nfs/dbraw/zinc/99/54/48/775995448.db2.gz OSEMSMHCUUDWEG-JKSUJKDBSA-N 2 1 337.464 0.490 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664757 775995460 /nfs/dbraw/zinc/99/54/60/775995460.db2.gz OSEMSMHCUUDWEG-JKSUJKDBSA-N 2 1 337.464 0.490 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708229 781558715 /nfs/dbraw/zinc/55/87/15/781558715.db2.gz AQSHJULLPHRWSS-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708229 781558723 /nfs/dbraw/zinc/55/87/23/781558723.db2.gz AQSHJULLPHRWSS-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708229 781558729 /nfs/dbraw/zinc/55/87/29/781558729.db2.gz AQSHJULLPHRWSS-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708229 781558737 /nfs/dbraw/zinc/55/87/37/781558737.db2.gz AQSHJULLPHRWSS-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC001070319075 783826340 /nfs/dbraw/zinc/82/63/40/783826340.db2.gz ZSFXOTGJOYEBGC-RYRKJORJSA-N 2 1 344.463 0.682 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451236 784113340 /nfs/dbraw/zinc/11/33/40/784113340.db2.gz WCOKRNWOLVFILJ-HUUCEWRRSA-N 2 1 344.463 0.479 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451236 784113343 /nfs/dbraw/zinc/11/33/43/784113343.db2.gz WCOKRNWOLVFILJ-HUUCEWRRSA-N 2 1 344.463 0.479 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001070498445 784194432 /nfs/dbraw/zinc/19/44/32/784194432.db2.gz IBCVZLVOYKVWTH-CGTJXYLNSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001071087028 784529131 /nfs/dbraw/zinc/52/91/31/784529131.db2.gz GQUISXHJQDGCCB-SUMDDJOVSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241489 784816876 /nfs/dbraw/zinc/81/68/76/784816876.db2.gz VZTXJCFEEHXEQY-CRAIPNDOSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241489 784816883 /nfs/dbraw/zinc/81/68/83/784816883.db2.gz VZTXJCFEEHXEQY-CRAIPNDOSA-N 2 1 330.432 0.907 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660511 786902660 /nfs/dbraw/zinc/90/26/60/786902660.db2.gz GRMNJYYUOPIGKI-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660511 786902664 /nfs/dbraw/zinc/90/26/64/786902664.db2.gz GRMNJYYUOPIGKI-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660511 786902671 /nfs/dbraw/zinc/90/26/71/786902671.db2.gz GRMNJYYUOPIGKI-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660511 786902676 /nfs/dbraw/zinc/90/26/76/786902676.db2.gz GRMNJYYUOPIGKI-OWCLPIDISA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710377 787021209 /nfs/dbraw/zinc/02/12/09/787021209.db2.gz YSRARLIDGWKDKD-LPMVOBIJSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073710377 787021216 /nfs/dbraw/zinc/02/12/16/787021216.db2.gz YSRARLIDGWKDKD-LPMVOBIJSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073710377 787021222 /nfs/dbraw/zinc/02/12/22/787021222.db2.gz YSRARLIDGWKDKD-LPMVOBIJSA-N 2 1 335.448 0.243 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425532 789821735 /nfs/dbraw/zinc/82/17/35/789821735.db2.gz AANLQTBSYKUJPI-JKSUJKDBSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425532 789821741 /nfs/dbraw/zinc/82/17/41/789821741.db2.gz AANLQTBSYKUJPI-JKSUJKDBSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425532 789821747 /nfs/dbraw/zinc/82/17/47/789821747.db2.gz AANLQTBSYKUJPI-JKSUJKDBSA-N 2 1 346.475 0.259 20 30 ECEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)C1 ZINC001069838122 790070084 /nfs/dbraw/zinc/07/00/84/790070084.db2.gz NYEJBOGGKTZZIC-DLBZAZTESA-N 2 1 341.459 0.594 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267487089 837549126 /nfs/dbraw/zinc/54/91/26/837549126.db2.gz AJYDRNMFCKDUBG-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](Cc3cnon3)C2)CC1 ZINC001267572324 837808809 /nfs/dbraw/zinc/80/88/09/837808809.db2.gz YRZXXWHISLTYDL-OAHLLOKOSA-N 2 1 345.447 0.743 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362410 835773763 /nfs/dbraw/zinc/77/37/63/835773763.db2.gz HJBCABDECDAFIW-HNNXBMFYSA-N 2 1 344.459 0.548 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362410 835773771 /nfs/dbraw/zinc/77/37/71/835773771.db2.gz HJBCABDECDAFIW-HNNXBMFYSA-N 2 1 344.459 0.548 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001266382424 835793475 /nfs/dbraw/zinc/79/34/75/835793475.db2.gz OCOMBJLENOHJJY-OAHLLOKOSA-N 2 1 345.447 0.464 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266594716 836026262 /nfs/dbraw/zinc/02/62/62/836026262.db2.gz QBPPDYMPFHVDAM-CQSZACIVSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266594716 836026271 /nfs/dbraw/zinc/02/62/71/836026271.db2.gz QBPPDYMPFHVDAM-CQSZACIVSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266695523 836158131 /nfs/dbraw/zinc/15/81/31/836158131.db2.gz YODAVKDXRYHFLQ-GASCZTMLSA-N 2 1 348.491 0.626 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266751060 836242145 /nfs/dbraw/zinc/24/21/45/836242145.db2.gz BBRGSVXFEDADSQ-SJORKVTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266751060 836242156 /nfs/dbraw/zinc/24/21/56/836242156.db2.gz BBRGSVXFEDADSQ-SJORKVTESA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266751060 836242170 /nfs/dbraw/zinc/24/21/70/836242170.db2.gz BBRGSVXFEDADSQ-SJORKVTESA-N 2 1 348.491 0.438 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266751185 836242597 /nfs/dbraw/zinc/24/25/97/836242597.db2.gz CTJBHCQKANZHGE-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266751185 836242605 /nfs/dbraw/zinc/24/26/05/836242605.db2.gz CTJBHCQKANZHGE-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266751185 836242619 /nfs/dbraw/zinc/24/26/19/836242619.db2.gz CTJBHCQKANZHGE-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266797662 836319042 /nfs/dbraw/zinc/31/90/42/836319042.db2.gz FPFKXLFXQISHGZ-HZPDHXFCSA-N 2 1 347.463 0.710 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266853916 836386489 /nfs/dbraw/zinc/38/64/89/836386489.db2.gz WISYPELLGDBECX-YESZJQIVSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266853916 836386505 /nfs/dbraw/zinc/38/65/05/836386505.db2.gz WISYPELLGDBECX-YESZJQIVSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266853916 836386514 /nfs/dbraw/zinc/38/65/14/836386514.db2.gz WISYPELLGDBECX-YESZJQIVSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266853916 836386526 /nfs/dbraw/zinc/38/65/26/836386526.db2.gz WISYPELLGDBECX-YESZJQIVSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898358 836450705 /nfs/dbraw/zinc/45/07/05/836450705.db2.gz VHBOGSLSUPITQO-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267001584 836592629 /nfs/dbraw/zinc/59/26/29/836592629.db2.gz SRQLXYQBUUETBQ-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2nc(C)no2)CC1 ZINC001267155417 836862441 /nfs/dbraw/zinc/86/24/41/836862441.db2.gz RBPAZTDFFJUIQE-ZDUSSCGKSA-N 2 1 333.436 0.708 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269408 837107165 /nfs/dbraw/zinc/10/71/65/837107165.db2.gz NMBMILXAIFKGSC-LSDHHAIUSA-N 2 1 336.480 0.742 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269408 837107167 /nfs/dbraw/zinc/10/71/67/837107167.db2.gz NMBMILXAIFKGSC-LSDHHAIUSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274067 837116806 /nfs/dbraw/zinc/11/68/06/837116806.db2.gz KJSKINQOKKVWGY-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274067 837116811 /nfs/dbraw/zinc/11/68/11/837116811.db2.gz KJSKINQOKKVWGY-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267296993 837156817 /nfs/dbraw/zinc/15/68/17/837156817.db2.gz YYWKYLPDOLMUAT-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267296993 837156824 /nfs/dbraw/zinc/15/68/24/837156824.db2.gz YYWKYLPDOLMUAT-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267296993 837156829 /nfs/dbraw/zinc/15/68/29/837156829.db2.gz YYWKYLPDOLMUAT-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267308580 837183010 /nfs/dbraw/zinc/18/30/10/837183010.db2.gz BWQBOXXIIWOWGZ-JKSUJKDBSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267308580 837183017 /nfs/dbraw/zinc/18/30/17/837183017.db2.gz BWQBOXXIIWOWGZ-JKSUJKDBSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267308580 837183025 /nfs/dbraw/zinc/18/30/25/837183025.db2.gz BWQBOXXIIWOWGZ-JKSUJKDBSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267308580 837183032 /nfs/dbraw/zinc/18/30/32/837183032.db2.gz BWQBOXXIIWOWGZ-JKSUJKDBSA-N 2 1 325.453 0.348 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001267599817 837914322 /nfs/dbraw/zinc/91/43/22/837914322.db2.gz DFMFMNXQGZVBFC-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267599817 837914331 /nfs/dbraw/zinc/91/43/31/837914331.db2.gz DFMFMNXQGZVBFC-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267599817 837914341 /nfs/dbraw/zinc/91/43/41/837914341.db2.gz DFMFMNXQGZVBFC-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001267615978 838003550 /nfs/dbraw/zinc/00/35/50/838003550.db2.gz YUYJIZOBCTWATG-CVEARBPZSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001267615978 838003562 /nfs/dbraw/zinc/00/35/62/838003562.db2.gz YUYJIZOBCTWATG-CVEARBPZSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001267729488 838414257 /nfs/dbraw/zinc/41/42/57/838414257.db2.gz YDRJGLWTFHCIBW-LSDHHAIUSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001267729488 838414260 /nfs/dbraw/zinc/41/42/60/838414260.db2.gz YDRJGLWTFHCIBW-LSDHHAIUSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267794636 838573486 /nfs/dbraw/zinc/57/34/86/838573486.db2.gz QFUNFLUOXFCLIE-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267794636 838573493 /nfs/dbraw/zinc/57/34/93/838573493.db2.gz QFUNFLUOXFCLIE-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001267834591 838627759 /nfs/dbraw/zinc/62/77/59/838627759.db2.gz WTJXDAIKDOJVMX-CABCVRRESA-N 2 1 334.464 0.237 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001267932851 838816480 /nfs/dbraw/zinc/81/64/80/838816480.db2.gz UJCYRFFBOGQUHZ-SHTZXODSSA-N 2 1 333.436 0.511 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCOC)CCO2)CC1 ZINC001268029680 839047345 /nfs/dbraw/zinc/04/73/45/839047345.db2.gz XLYHOZSQKUMIND-KRWDZBQOSA-N 2 1 337.464 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCOC)CCO2)CC1 ZINC001268029680 839047354 /nfs/dbraw/zinc/04/73/54/839047354.db2.gz XLYHOZSQKUMIND-KRWDZBQOSA-N 2 1 337.464 0.185 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1C#N ZINC000355448215 266145466 /nfs/dbraw/zinc/14/54/66/266145466.db2.gz UGVZPFZCJAOVNE-CQSZACIVSA-N 2 1 332.452 0.780 20 30 ECEDMP C[N@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120595 436406773 /nfs/dbraw/zinc/40/67/73/436406773.db2.gz ZQBFFYOZSYGPPH-CQSZACIVSA-N 2 1 337.468 0.961 20 30 ECEDMP C[N@@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120595 436406778 /nfs/dbraw/zinc/40/67/78/436406778.db2.gz ZQBFFYOZSYGPPH-CQSZACIVSA-N 2 1 337.468 0.961 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(OCC2CC2)nc1 ZINC000104181537 436557508 /nfs/dbraw/zinc/55/75/08/436557508.db2.gz JYQYZLLPULLLHG-UHFFFAOYSA-N 2 1 347.463 0.997 20 30 ECEDMP CN(Cc1ccccc1)C(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170913595 436959862 /nfs/dbraw/zinc/95/98/62/436959862.db2.gz MIKYPPHMLSLEBA-UHFFFAOYSA-N 2 1 347.463 0.272 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(OC)c1 ZINC000264098782 437016088 /nfs/dbraw/zinc/01/60/88/437016088.db2.gz MIBBSSBOVCQWGT-UHFFFAOYSA-N 2 1 336.436 0.830 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000264306871 437018020 /nfs/dbraw/zinc/01/80/20/437018020.db2.gz TWKQKMXIRLHNCB-OAHLLOKOSA-N 2 1 329.448 0.964 20 30 ECEDMP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(N)=[NH2+])cc2)CC1 ZINC000264260283 437018445 /nfs/dbraw/zinc/01/84/45/437018445.db2.gz JENZCZRCTOCTRU-UHFFFAOYSA-N 2 1 333.436 0.045 20 30 ECEDMP CCc1nc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000264072984 437014877 /nfs/dbraw/zinc/01/48/77/437014877.db2.gz DQUORKDPPXUAOV-UHFFFAOYSA-N 2 1 325.482 0.875 20 30 ECEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329314581 437351788 /nfs/dbraw/zinc/35/17/88/437351788.db2.gz RTYJYYBGUIIKKG-AWEZNQCLSA-N 2 1 337.468 0.279 20 30 ECEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329314581 437351792 /nfs/dbraw/zinc/35/17/92/437351792.db2.gz RTYJYYBGUIIKKG-AWEZNQCLSA-N 2 1 337.468 0.279 20 30 ECEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000329567875 437384929 /nfs/dbraw/zinc/38/49/29/437384929.db2.gz TXRWYIHSQOAOLP-DZGCQCFKSA-N 2 1 330.498 0.336 20 30 ECEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000371638234 437969687 /nfs/dbraw/zinc/96/96/87/437969687.db2.gz PMBQBZXGYIMWFY-OAHLLOKOSA-N 2 1 349.479 0.233 20 30 ECEDMP N#Cc1cnn2cc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cnc12 ZINC000580075413 439061696 /nfs/dbraw/zinc/06/16/96/439061696.db2.gz LXXGDYNYLFEAEO-MRXNPFEDSA-N 2 1 328.420 0.927 20 30 ECEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000526058925 439237488 /nfs/dbraw/zinc/23/74/88/439237488.db2.gz NXWOYPWCZMOMBW-HNNXBMFYSA-N 2 1 334.464 0.982 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491494225 439394175 /nfs/dbraw/zinc/39/41/75/439394175.db2.gz BIHZBJYWRWEYMS-KRWDZBQOSA-N 2 1 336.480 0.695 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000491620333 439413350 /nfs/dbraw/zinc/41/33/50/439413350.db2.gz DRQHUAMVFRCPOH-KRWDZBQOSA-N 2 1 338.496 0.988 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000491620333 439413355 /nfs/dbraw/zinc/41/33/55/439413355.db2.gz DRQHUAMVFRCPOH-KRWDZBQOSA-N 2 1 338.496 0.988 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000491815757 439457747 /nfs/dbraw/zinc/45/77/47/439457747.db2.gz LOAYYWSSVHUDEH-SJORKVTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000491815757 439457751 /nfs/dbraw/zinc/45/77/51/439457751.db2.gz LOAYYWSSVHUDEH-SJORKVTESA-N 2 1 336.480 0.884 20 30 ECEDMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000328831748 546007080 /nfs/dbraw/zinc/00/70/80/546007080.db2.gz RHXUMTQDZMXQSF-CABCVRRESA-N 2 1 337.468 0.281 20 30 ECEDMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328831748 546007082 /nfs/dbraw/zinc/00/70/82/546007082.db2.gz RHXUMTQDZMXQSF-CABCVRRESA-N 2 1 337.468 0.281 20 30 ECEDMP COC(=O)CCC[NH+]1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799488870 578666046 /nfs/dbraw/zinc/66/60/46/578666046.db2.gz LXMOMLNBKSBRQA-UHFFFAOYSA-N 2 1 340.468 0.703 20 30 ECEDMP C#C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCCO1 ZINC000776232979 579278348 /nfs/dbraw/zinc/27/83/48/579278348.db2.gz UUOCCRAZKSPHTD-SJORKVTESA-N 2 1 336.480 0.835 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846166799 589189776 /nfs/dbraw/zinc/18/97/76/589189776.db2.gz CUWHQPIKDZYCIJ-YESZJQIVSA-N 2 1 336.480 0.869 20 30 ECEDMP N#Cc1ccc(NCCNC(=[NH2+])NCCC[NH+]2CCOCC2)nc1 ZINC000849071927 589319108 /nfs/dbraw/zinc/31/91/08/589319108.db2.gz SDWMXZIDJHTDLS-UHFFFAOYSA-N 2 1 331.424 0.201 20 30 ECEDMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852885113 589521879 /nfs/dbraw/zinc/52/18/79/589521879.db2.gz MTEREWHGCOBCQV-SFHVURJKSA-N 2 1 332.492 0.618 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133473761 590704420 /nfs/dbraw/zinc/70/44/20/590704420.db2.gz UHUOHURGWGXUPD-HUUCEWRRSA-N 3 1 337.512 0.887 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000133473761 590704422 /nfs/dbraw/zinc/70/44/22/590704422.db2.gz UHUOHURGWGXUPD-HUUCEWRRSA-N 2 1 337.512 0.887 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000884321606 590804860 /nfs/dbraw/zinc/80/48/60/590804860.db2.gz SSEVWOHEWPNEHZ-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000884321606 590804865 /nfs/dbraw/zinc/80/48/65/590804865.db2.gz SSEVWOHEWPNEHZ-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000884321606 590804868 /nfs/dbraw/zinc/80/48/68/590804868.db2.gz SSEVWOHEWPNEHZ-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000884321606 590804882 /nfs/dbraw/zinc/80/48/82/590804882.db2.gz SSEVWOHEWPNEHZ-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390333 590818572 /nfs/dbraw/zinc/81/85/72/590818572.db2.gz TUNGHQSLGUIZEZ-UUEMVVSASA-N 2 1 334.464 0.740 20 30 ECEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390333 590818576 /nfs/dbraw/zinc/81/85/76/590818576.db2.gz TUNGHQSLGUIZEZ-UUEMVVSASA-N 2 1 334.464 0.740 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597732 611359204 /nfs/dbraw/zinc/35/92/04/611359204.db2.gz IAQTZPIANZBULW-XDNAFOTISA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597732 611359205 /nfs/dbraw/zinc/35/92/05/611359205.db2.gz IAQTZPIANZBULW-XDNAFOTISA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597732 611359206 /nfs/dbraw/zinc/35/92/06/611359206.db2.gz IAQTZPIANZBULW-XDNAFOTISA-N 2 1 331.460 0.653 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949248121 608597532 /nfs/dbraw/zinc/59/75/32/608597532.db2.gz LLMNOSGPIBNWKQ-KRWDZBQOSA-N 2 1 349.475 0.424 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949248121 608597534 /nfs/dbraw/zinc/59/75/34/608597534.db2.gz LLMNOSGPIBNWKQ-KRWDZBQOSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C1CC[NH+](C)CC1 ZINC000910886828 609773768 /nfs/dbraw/zinc/77/37/68/609773768.db2.gz WOFYJUYGLNMGAF-LJQANCHMSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000910887362 609774204 /nfs/dbraw/zinc/77/42/04/609774204.db2.gz QYUMSVINNIERSH-UHFFFAOYSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000910887362 609774206 /nfs/dbraw/zinc/77/42/06/609774206.db2.gz QYUMSVINNIERSH-UHFFFAOYSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414072 610303334 /nfs/dbraw/zinc/30/33/34/610303334.db2.gz LRRXFLUOHSBTOM-ZWKOTPCHSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414072 610303336 /nfs/dbraw/zinc/30/33/36/610303336.db2.gz LRRXFLUOHSBTOM-ZWKOTPCHSA-N 2 1 332.492 0.568 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414348 610303407 /nfs/dbraw/zinc/30/34/07/610303407.db2.gz REZBUFLKFVGTFM-SJLPKXTDSA-N 2 1 348.491 0.254 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941440233 610316341 /nfs/dbraw/zinc/31/63/41/610316341.db2.gz FINXMOWOHALSMK-SFHVURJKSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000950755849 611891886 /nfs/dbraw/zinc/89/18/86/611891886.db2.gz WCFSKVSIIZUBAF-IKGGRYGDSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC000950755849 611891887 /nfs/dbraw/zinc/89/18/87/611891887.db2.gz WCFSKVSIIZUBAF-IKGGRYGDSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471302 611991923 /nfs/dbraw/zinc/99/19/23/611991923.db2.gz XCKZFXRECOYCMU-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471302 611991924 /nfs/dbraw/zinc/99/19/24/611991924.db2.gz XCKZFXRECOYCMU-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042883 731979215 /nfs/dbraw/zinc/97/92/15/731979215.db2.gz YKLOXIHRHLIASB-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH+](CC#CCOC)CCO)CC1 ZINC001098524330 732048583 /nfs/dbraw/zinc/04/85/83/732048583.db2.gz HSMCNUCOODXEEL-UHFFFAOYSA-N 2 1 339.480 0.263 20 30 ECEDMP CC[NH+](C)CCC(=O)N1CCC([N@@H+](CC#CCOC)CCO)CC1 ZINC001098524330 732048588 /nfs/dbraw/zinc/04/85/88/732048588.db2.gz HSMCNUCOODXEEL-UHFFFAOYSA-N 2 1 339.480 0.263 20 30 ECEDMP CC[NH+](C)CCC(=O)N1CCC([N@H+](CC#CCOC)CCO)CC1 ZINC001098524330 732048591 /nfs/dbraw/zinc/04/85/91/732048591.db2.gz HSMCNUCOODXEEL-UHFFFAOYSA-N 2 1 339.480 0.263 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccnn2C)C1 ZINC000969866170 732464540 /nfs/dbraw/zinc/46/45/40/732464540.db2.gz UHAGKGGBBRDLFQ-YJBOKZPZSA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccnn2C)C1 ZINC000969866170 732464543 /nfs/dbraw/zinc/46/45/43/732464543.db2.gz UHAGKGGBBRDLFQ-YJBOKZPZSA-N 2 1 343.475 0.497 20 30 ECEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532768 733051385 /nfs/dbraw/zinc/05/13/85/733051385.db2.gz DESIMOBVTOTDCU-UHFFFAOYSA-N 2 1 327.469 0.426 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232519 733076739 /nfs/dbraw/zinc/07/67/39/733076739.db2.gz FVCFTGPQOLOOLR-HOTGVXAUSA-N 2 1 348.491 0.342 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000970366118 733424860 /nfs/dbraw/zinc/42/48/60/733424860.db2.gz JFXGFPYUORLWMF-PBHICJAKSA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001211278158 734245381 /nfs/dbraw/zinc/24/53/81/734245381.db2.gz PYGPVMXUNLQYCO-HZPDHXFCSA-N 2 1 336.480 0.694 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580698 735812649 /nfs/dbraw/zinc/81/26/49/735812649.db2.gz HSGRYICUGUZCSO-HNNXBMFYSA-N 2 1 347.463 0.630 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235307 735821724 /nfs/dbraw/zinc/82/17/24/735821724.db2.gz MWYSFLJOZYGURG-IRXDYDNUSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235312 735821774 /nfs/dbraw/zinc/82/17/74/735821774.db2.gz MWYSFLJOZYGURG-SJORKVTESA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCOC)CCO2 ZINC000972415888 736156346 /nfs/dbraw/zinc/15/63/46/736156346.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCOC)CCO2 ZINC000972415888 736156350 /nfs/dbraw/zinc/15/63/50/736156350.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 2 1 335.448 0.034 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]2O)CC1 ZINC001078227129 782523128 /nfs/dbraw/zinc/52/31/28/782523128.db2.gz KJGXJBFEOPALAM-FVQBIDKESA-N 2 1 325.428 0.241 20 30 ECEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262368830 736959970 /nfs/dbraw/zinc/95/99/70/736959970.db2.gz IEEITRVTNURRMJ-GOEBONIOSA-N 2 1 342.509 0.084 20 30 ECEDMP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262848340 737309420 /nfs/dbraw/zinc/30/94/20/737309420.db2.gz YYJLVOARLIGNJS-OAHLLOKOSA-N 2 1 341.459 0.977 20 30 ECEDMP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262848340 737309428 /nfs/dbraw/zinc/30/94/28/737309428.db2.gz YYJLVOARLIGNJS-OAHLLOKOSA-N 2 1 341.459 0.977 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@H](C)O)CCO3)CC1 ZINC000972686697 737378644 /nfs/dbraw/zinc/37/86/44/737378644.db2.gz BQQYLKVCLSMTDN-LPHOPBHVSA-N 2 1 349.475 0.016 20 30 ECEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560679 738107333 /nfs/dbraw/zinc/10/73/33/738107333.db2.gz HXLMCRKDGFNCFY-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560679 738107336 /nfs/dbraw/zinc/10/73/36/738107336.db2.gz HXLMCRKDGFNCFY-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560679 738107338 /nfs/dbraw/zinc/10/73/38/738107338.db2.gz HXLMCRKDGFNCFY-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026508603 741495505 /nfs/dbraw/zinc/49/55/05/741495505.db2.gz AHRITYNDGZRBIX-JCYILVPMSA-N 2 1 344.463 0.393 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001026508603 741495508 /nfs/dbraw/zinc/49/55/08/741495508.db2.gz AHRITYNDGZRBIX-JCYILVPMSA-N 2 1 344.463 0.393 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243572 741542688 /nfs/dbraw/zinc/54/26/88/741542688.db2.gz DLSBYRUVBACUKK-DLBZAZTESA-N 2 1 344.463 0.505 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256649 741571596 /nfs/dbraw/zinc/57/15/96/741571596.db2.gz LZDCAYCFMLTHTC-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256649 741571599 /nfs/dbraw/zinc/57/15/99/741571599.db2.gz LZDCAYCFMLTHTC-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268518 741611416 /nfs/dbraw/zinc/61/14/16/741611416.db2.gz QTZIXFSMAZPBMM-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268518 741611418 /nfs/dbraw/zinc/61/14/18/741611418.db2.gz QTZIXFSMAZPBMM-INIZCTEOSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326728 741809732 /nfs/dbraw/zinc/80/97/32/741809732.db2.gz DERIVDHWTCTCQO-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001026894291 742040191 /nfs/dbraw/zinc/04/01/91/742040191.db2.gz ZRXSSKNKQSVIEP-CVEARBPZSA-N 2 1 327.432 0.512 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC001026894291 742040195 /nfs/dbraw/zinc/04/01/95/742040195.db2.gz ZRXSSKNKQSVIEP-CVEARBPZSA-N 2 1 327.432 0.512 20 30 ECEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822445 742217989 /nfs/dbraw/zinc/21/79/89/742217989.db2.gz BEDVOELXCIGFPA-BHEGOAEISA-N 2 1 331.460 0.700 20 30 ECEDMP C#CCN1CC[NH+](C2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000996782491 742853366 /nfs/dbraw/zinc/85/33/66/742853366.db2.gz LYNVXFKCAUNGBK-UHFFFAOYSA-N 2 1 343.475 0.870 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000997000379 743111931 /nfs/dbraw/zinc/11/19/31/743111931.db2.gz PSWHXWAYJRLASM-NVXWUHKLSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001029001642 743153850 /nfs/dbraw/zinc/15/38/50/743153850.db2.gz AZHPPGUYVHIKKS-OAHLLOKOSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001029004330 743158059 /nfs/dbraw/zinc/15/80/59/743158059.db2.gz VQFYBCXXMCEXRD-HOTGVXAUSA-N 2 1 348.491 0.246 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000998267428 744087664 /nfs/dbraw/zinc/08/76/64/744087664.db2.gz XLYMNQNSJGVVKO-IRXDYDNUSA-N 2 1 348.491 0.553 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001027446501 744486362 /nfs/dbraw/zinc/48/63/62/744486362.db2.gz LSTFUDDWYQFHTR-MSOLQXFVSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027446501 744486365 /nfs/dbraw/zinc/48/63/65/744486365.db2.gz LSTFUDDWYQFHTR-MSOLQXFVSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCn2cccn2)C1 ZINC001027446501 744486368 /nfs/dbraw/zinc/48/63/68/744486368.db2.gz LSTFUDDWYQFHTR-MSOLQXFVSA-N 2 1 343.475 0.904 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCn2cccn2)C1 ZINC001027446501 744486371 /nfs/dbraw/zinc/48/63/71/744486371.db2.gz LSTFUDDWYQFHTR-MSOLQXFVSA-N 2 1 343.475 0.904 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC000983708193 745085400 /nfs/dbraw/zinc/08/54/00/745085400.db2.gz IAZQBJPXXRCYML-WRQOLXDDSA-N 2 1 348.491 0.598 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999964186 745108056 /nfs/dbraw/zinc/10/80/56/745108056.db2.gz VWYMLYMIPGCHAU-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964186 745108058 /nfs/dbraw/zinc/10/80/58/745108058.db2.gz VWYMLYMIPGCHAU-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999964186 745108060 /nfs/dbraw/zinc/10/80/60/745108060.db2.gz VWYMLYMIPGCHAU-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000033144 745207474 /nfs/dbraw/zinc/20/74/74/745207474.db2.gz BSJWDMKHIVIJJV-INIZCTEOSA-N 2 1 342.447 0.260 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000033150 745207781 /nfs/dbraw/zinc/20/77/81/745207781.db2.gz BSJWDMKHIVIJJV-MRXNPFEDSA-N 2 1 342.447 0.260 20 30 ECEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000214427 745352664 /nfs/dbraw/zinc/35/26/64/745352664.db2.gz MWHMGJIQUYXVKL-URSIVYNOSA-N 2 1 343.471 0.844 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]21 ZINC000978277181 746138448 /nfs/dbraw/zinc/13/84/48/746138448.db2.gz AWOWZMLOXCPAHF-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]21 ZINC000978277181 746138452 /nfs/dbraw/zinc/13/84/52/746138452.db2.gz AWOWZMLOXCPAHF-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cnc(C)o3)C[C@H]21 ZINC000978277181 746138455 /nfs/dbraw/zinc/13/84/55/746138455.db2.gz AWOWZMLOXCPAHF-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cnc(C)o3)C[C@H]21 ZINC000978277181 746138460 /nfs/dbraw/zinc/13/84/60/746138460.db2.gz AWOWZMLOXCPAHF-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001001491844 746429811 /nfs/dbraw/zinc/42/98/11/746429811.db2.gz LLHBXIOPJKNRRT-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001001491844 746429812 /nfs/dbraw/zinc/42/98/12/746429812.db2.gz LLHBXIOPJKNRRT-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994280 746958085 /nfs/dbraw/zinc/95/80/85/746958085.db2.gz ZWQGDKYLHAYWLK-SQNIBIBYSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994280 746958088 /nfs/dbraw/zinc/95/80/88/746958088.db2.gz ZWQGDKYLHAYWLK-SQNIBIBYSA-N 2 1 343.475 0.617 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985035373 747288385 /nfs/dbraw/zinc/28/83/85/747288385.db2.gz UQMQYPZJCCDJHT-VQHPVUNQSA-N 2 1 348.491 0.600 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985035372 747288516 /nfs/dbraw/zinc/28/85/16/747288516.db2.gz UQMQYPZJCCDJHT-QBPKDAKJSA-N 2 1 348.491 0.600 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000979578027 748071091 /nfs/dbraw/zinc/07/10/91/748071091.db2.gz LHLMNPNJXMTJJN-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000979578027 748071098 /nfs/dbraw/zinc/07/10/98/748071098.db2.gz LHLMNPNJXMTJJN-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000979578027 748071107 /nfs/dbraw/zinc/07/11/07/748071107.db2.gz LHLMNPNJXMTJJN-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000979578027 748071109 /nfs/dbraw/zinc/07/11/09/748071109.db2.gz LHLMNPNJXMTJJN-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001029909344 749560666 /nfs/dbraw/zinc/56/06/66/749560666.db2.gz LKRRVWXDTROIET-DOTOQJQBSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cncn3C)C2)CC1 ZINC000980477334 749629873 /nfs/dbraw/zinc/62/98/73/749629873.db2.gz DLVHLIDLQVBSLB-QGZVFWFLSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3cncn3C)C2)CC1 ZINC000980477334 749629879 /nfs/dbraw/zinc/62/98/79/749629879.db2.gz DLVHLIDLQVBSLB-QGZVFWFLSA-N 2 1 343.475 0.798 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100899939 750006678 /nfs/dbraw/zinc/00/66/78/750006678.db2.gz IOBWUDYSMHCHPD-QQFBHYJXSA-N 2 1 338.496 0.893 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029971211 750155085 /nfs/dbraw/zinc/15/50/85/750155085.db2.gz RHVLYZGWBJDWOY-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029971211 750155087 /nfs/dbraw/zinc/15/50/87/750155087.db2.gz RHVLYZGWBJDWOY-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@@H]2CCNC2=O)CC1 ZINC001029971211 750155093 /nfs/dbraw/zinc/15/50/93/750155093.db2.gz RHVLYZGWBJDWOY-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)[C@@H]2CCNC2=O)CC1 ZINC001029971211 750155098 /nfs/dbraw/zinc/15/50/98/750155098.db2.gz RHVLYZGWBJDWOY-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001021078347 752513075 /nfs/dbraw/zinc/51/30/75/752513075.db2.gz CTAMURKCGYFQBD-JHJVBQTASA-N 2 1 346.269 0.853 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001021078347 752513083 /nfs/dbraw/zinc/51/30/83/752513083.db2.gz CTAMURKCGYFQBD-JHJVBQTASA-N 2 1 346.269 0.853 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncc(C)cn3)C2)CC1 ZINC001021092449 752532890 /nfs/dbraw/zinc/53/28/90/752532890.db2.gz MDFFPCZWUKMMTF-QAQDUYKDSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000938097811 753257357 /nfs/dbraw/zinc/25/73/57/753257357.db2.gz YUGBGSCCNMFOEC-SJORKVTESA-N 2 1 346.475 0.000 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778482 755084241 /nfs/dbraw/zinc/08/42/41/755084241.db2.gz IEXVLWCJGOGXQH-DOTOQJQBSA-N 2 1 348.491 0.553 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522896 755890785 /nfs/dbraw/zinc/89/07/85/755890785.db2.gz CCSAEYXCERICQT-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522896 755890789 /nfs/dbraw/zinc/89/07/89/755890789.db2.gz CCSAEYXCERICQT-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522896 755890794 /nfs/dbraw/zinc/89/07/94/755890794.db2.gz CCSAEYXCERICQT-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944443 757481884 /nfs/dbraw/zinc/48/18/84/757481884.db2.gz YGVZTUCFKNOATE-FNYPPERVSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944443 757481887 /nfs/dbraw/zinc/48/18/87/757481887.db2.gz YGVZTUCFKNOATE-FNYPPERVSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944443 757481890 /nfs/dbraw/zinc/48/18/90/757481890.db2.gz YGVZTUCFKNOATE-FNYPPERVSA-N 2 1 331.460 0.816 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001011315038 757491130 /nfs/dbraw/zinc/49/11/30/757491130.db2.gz UQXDVCWPVMYHBD-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001011315038 757491132 /nfs/dbraw/zinc/49/11/32/757491132.db2.gz UQXDVCWPVMYHBD-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001076952158 757717891 /nfs/dbraw/zinc/71/78/91/757717891.db2.gz OYPOGSCMDHFGCK-HOTGVXAUSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001076952158 757717896 /nfs/dbraw/zinc/71/78/96/757717896.db2.gz OYPOGSCMDHFGCK-HOTGVXAUSA-N 2 1 348.491 0.579 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001022110038 758290039 /nfs/dbraw/zinc/29/00/39/758290039.db2.gz ZUGUVGICROVSIO-DMRKSPOLSA-N 2 1 348.491 0.740 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccon4)C[C@@H]3C2)CC1 ZINC001049235959 758405358 /nfs/dbraw/zinc/40/53/58/758405358.db2.gz ZUTINFFERZFITB-CALCHBBNSA-N 2 1 342.443 0.910 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccon4)C[C@@H]3C2)CC1 ZINC001049235959 758405363 /nfs/dbraw/zinc/40/53/63/758405363.db2.gz ZUTINFFERZFITB-CALCHBBNSA-N 2 1 342.443 0.910 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(CC)n2)CC1 ZINC000996687370 758475278 /nfs/dbraw/zinc/47/52/78/758475278.db2.gz WKJZJVYDSRCPPU-KRWDZBQOSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(CC)n2)CC1 ZINC000996687370 758475283 /nfs/dbraw/zinc/47/52/83/758475283.db2.gz WKJZJVYDSRCPPU-KRWDZBQOSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484086 758793894 /nfs/dbraw/zinc/79/38/94/758793894.db2.gz DPVKTHSZCLJJOO-SJORKVTESA-N 2 1 329.448 0.757 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC001022711981 759026376 /nfs/dbraw/zinc/02/63/76/759026376.db2.gz HQOUPNMUUNEUDR-WCVJEAGWSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](C)O)CC1 ZINC001049918802 759403240 /nfs/dbraw/zinc/40/32/40/759403240.db2.gz MOTHSKUHJIXKCI-CGTJXYLNSA-N 2 1 333.476 0.778 20 30 ECEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001107036445 759462828 /nfs/dbraw/zinc/46/28/28/759462828.db2.gz LLOJSMGFTUIYNS-BZUAXINKSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042633 759504302 /nfs/dbraw/zinc/50/43/02/759504302.db2.gz WFZVHKAEWXFOHP-BZUAXINKSA-N 2 1 336.480 0.149 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050526056 760431069 /nfs/dbraw/zinc/43/10/69/760431069.db2.gz RGKWOCZJYOMZMB-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C[NH+](C)CC#CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000913520469 761049066 /nfs/dbraw/zinc/04/90/66/761049066.db2.gz QEHIIUXSNXHSOS-GOSISDBHSA-N 2 1 329.444 0.866 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255597 768023029 /nfs/dbraw/zinc/02/30/29/768023029.db2.gz ZINGUNRRLGAKTN-HUUCEWRRSA-N 2 1 336.480 0.457 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001052040479 763662430 /nfs/dbraw/zinc/66/24/30/763662430.db2.gz AWOAQPIYOPNUAV-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040479 763662433 /nfs/dbraw/zinc/66/24/33/763662433.db2.gz AWOAQPIYOPNUAV-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107969 763888719 /nfs/dbraw/zinc/88/87/19/763888719.db2.gz JFNDZXBRYMEJSN-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107969 763888728 /nfs/dbraw/zinc/88/87/28/763888728.db2.gz JFNDZXBRYMEJSN-MSOLQXFVSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)CC1 ZINC001052121439 763942562 /nfs/dbraw/zinc/94/25/62/763942562.db2.gz BAQFKNMFBKPZMP-IBGZPJMESA-N 2 1 342.487 0.183 20 30 ECEDMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CC#Cc1ccccc1 ZINC001168417563 764336985 /nfs/dbraw/zinc/33/69/85/764336985.db2.gz UYGMDRNMSCSCAF-UHFFFAOYSA-N 2 1 329.444 0.856 20 30 ECEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499249 764519250 /nfs/dbraw/zinc/51/92/50/764519250.db2.gz DFQPILHICZCWBO-HRCADAONSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499249 764519258 /nfs/dbraw/zinc/51/92/58/764519258.db2.gz DFQPILHICZCWBO-HRCADAONSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499249 764519261 /nfs/dbraw/zinc/51/92/61/764519261.db2.gz DFQPILHICZCWBO-HRCADAONSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499249 764519266 /nfs/dbraw/zinc/51/92/66/764519266.db2.gz DFQPILHICZCWBO-HRCADAONSA-N 2 1 325.453 0.175 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505396 764540107 /nfs/dbraw/zinc/54/01/07/764540107.db2.gz IZSHSSIWLWSHGO-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505396 764540113 /nfs/dbraw/zinc/54/01/13/764540113.db2.gz IZSHSSIWLWSHGO-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528233 764602024 /nfs/dbraw/zinc/60/20/24/764602024.db2.gz OJJQJUQWGRMTCB-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528233 764602027 /nfs/dbraw/zinc/60/20/27/764602027.db2.gz OJJQJUQWGRMTCB-PVAVHDDUSA-N 2 1 332.448 0.834 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC001052959013 765415164 /nfs/dbraw/zinc/41/51/64/765415164.db2.gz QFTVURMYHCCAJE-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001016330137 766127201 /nfs/dbraw/zinc/12/72/01/766127201.db2.gz DXLACUQRGAXIFW-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031847 766703339 /nfs/dbraw/zinc/70/33/39/766703339.db2.gz AKOGVYDIFVLQTC-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031847 766703343 /nfs/dbraw/zinc/70/33/43/766703343.db2.gz AKOGVYDIFVLQTC-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031847 766703351 /nfs/dbraw/zinc/70/33/51/766703351.db2.gz AKOGVYDIFVLQTC-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001046037356 766733745 /nfs/dbraw/zinc/73/37/45/766733745.db2.gz XOFVKSMKQREMJA-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001046037356 766733751 /nfs/dbraw/zinc/73/37/51/766733751.db2.gz XOFVKSMKQREMJA-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001046037356 766733757 /nfs/dbraw/zinc/73/37/57/766733757.db2.gz XOFVKSMKQREMJA-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CC(=C)C)C2)CC1 ZINC001046037356 766733760 /nfs/dbraw/zinc/73/37/60/766733760.db2.gz XOFVKSMKQREMJA-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)CC1 ZINC000992513479 766752945 /nfs/dbraw/zinc/75/29/45/766752945.db2.gz VVMRNEDXQGXNIY-APWZRJJASA-N 2 1 346.475 0.191 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046071306 766878087 /nfs/dbraw/zinc/87/80/87/766878087.db2.gz GSOHXBXZEXHYGA-QGZVFWFLSA-N 2 1 336.480 0.113 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046071306 766878099 /nfs/dbraw/zinc/87/80/99/766878099.db2.gz GSOHXBXZEXHYGA-QGZVFWFLSA-N 2 1 336.480 0.113 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)CC2)C1 ZINC001046079801 766913815 /nfs/dbraw/zinc/91/38/15/766913815.db2.gz CVQSPBYUFRVVCY-HKUYNNGSSA-N 2 1 332.492 0.877 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)C1 ZINC001046079801 766913822 /nfs/dbraw/zinc/91/38/22/766913822.db2.gz CVQSPBYUFRVVCY-HKUYNNGSSA-N 2 1 332.492 0.877 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)C1 ZINC001046079801 766913830 /nfs/dbraw/zinc/91/38/30/766913830.db2.gz CVQSPBYUFRVVCY-HKUYNNGSSA-N 2 1 332.492 0.877 20 30 ECEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084203 766923914 /nfs/dbraw/zinc/92/39/14/766923914.db2.gz MTYXTMXNGNEWFX-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084203 766923916 /nfs/dbraw/zinc/92/39/16/766923916.db2.gz MTYXTMXNGNEWFX-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084159 766924256 /nfs/dbraw/zinc/92/42/56/766924256.db2.gz KYFBAVWAGIUGCD-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084159 766924261 /nfs/dbraw/zinc/92/42/61/766924261.db2.gz KYFBAVWAGIUGCD-KRWDZBQOSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CC)C3)CC2)CC1 ZINC001046087117 766929958 /nfs/dbraw/zinc/92/99/58/766929958.db2.gz UJFWUKOTIQEXKY-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212299969 767188129 /nfs/dbraw/zinc/18/81/29/767188129.db2.gz SORBVLDNHFPQJQ-YLFCFFPRSA-N 2 1 339.480 0.735 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055542437 769065273 /nfs/dbraw/zinc/06/52/73/769065273.db2.gz AFHSVEPVGUOERK-INIZCTEOSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055542437 769065282 /nfs/dbraw/zinc/06/52/82/769065282.db2.gz AFHSVEPVGUOERK-INIZCTEOSA-N 2 1 336.480 0.744 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055632450 769307287 /nfs/dbraw/zinc/30/72/87/769307287.db2.gz VKIZDRZYJQYIFA-GDBMZVCRSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001055644961 769333280 /nfs/dbraw/zinc/33/32/80/769333280.db2.gz KFFUTPUOGMCCHQ-CABCVRRESA-N 2 1 349.479 0.185 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001018663432 769733332 /nfs/dbraw/zinc/73/33/32/769733332.db2.gz BUCODZPUWFXLEZ-IRXDYDNUSA-N 2 1 328.416 0.579 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001018663432 769733346 /nfs/dbraw/zinc/73/33/46/769733346.db2.gz BUCODZPUWFXLEZ-IRXDYDNUSA-N 2 1 328.416 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001020250564 772350899 /nfs/dbraw/zinc/35/08/99/772350899.db2.gz INKFKMXROVCLDG-ULQDDVLXSA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001020250564 772350905 /nfs/dbraw/zinc/35/09/05/772350905.db2.gz INKFKMXROVCLDG-ULQDDVLXSA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001045073993 774936801 /nfs/dbraw/zinc/93/68/01/774936801.db2.gz VBCTXCBCCWDSBX-ROUUACIJSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(C)nc1C ZINC001045073993 774936804 /nfs/dbraw/zinc/93/68/04/774936804.db2.gz VBCTXCBCCWDSBX-ROUUACIJSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080009038 777221476 /nfs/dbraw/zinc/22/14/76/777221476.db2.gz NKENKAPZXIZVJE-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080009038 777221485 /nfs/dbraw/zinc/22/14/85/777221485.db2.gz NKENKAPZXIZVJE-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076349 790522997 /nfs/dbraw/zinc/52/29/97/790522997.db2.gz MOIRAIIMKBACAK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076349 790523002 /nfs/dbraw/zinc/52/30/02/790523002.db2.gz MOIRAIIMKBACAK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076349 790523008 /nfs/dbraw/zinc/52/30/08/790523008.db2.gz MOIRAIIMKBACAK-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077816974 781751129 /nfs/dbraw/zinc/75/11/29/781751129.db2.gz GBAXMDOGMCJSGR-HZPDHXFCSA-N 2 1 335.452 0.186 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192544 783626422 /nfs/dbraw/zinc/62/64/22/783626422.db2.gz BTKNGVFGBQALBT-OAGGEKHMSA-N 2 1 332.452 0.678 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403251 783977806 /nfs/dbraw/zinc/97/78/06/783977806.db2.gz OLNSTTQWKLNFAC-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403251 783977810 /nfs/dbraw/zinc/97/78/10/783977810.db2.gz OLNSTTQWKLNFAC-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403251 783977815 /nfs/dbraw/zinc/97/78/15/783977815.db2.gz OLNSTTQWKLNFAC-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403251 783977819 /nfs/dbraw/zinc/97/78/19/783977819.db2.gz OLNSTTQWKLNFAC-GDBMZVCRSA-N 2 1 345.447 0.169 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001070921865 784119833 /nfs/dbraw/zinc/11/98/33/784119833.db2.gz QVTNDHZGRSZZQK-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001070921865 784119837 /nfs/dbraw/zinc/11/98/37/784119837.db2.gz QVTNDHZGRSZZQK-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001070921865 784119839 /nfs/dbraw/zinc/11/98/39/784119839.db2.gz QVTNDHZGRSZZQK-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001070921865 784119842 /nfs/dbraw/zinc/11/98/42/784119842.db2.gz QVTNDHZGRSZZQK-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001070921941 784120309 /nfs/dbraw/zinc/12/03/09/784120309.db2.gz UEKIROPSERDUAT-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001070921941 784120313 /nfs/dbraw/zinc/12/03/13/784120313.db2.gz UEKIROPSERDUAT-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070477490 784159886 /nfs/dbraw/zinc/15/98/86/784159886.db2.gz DAUZACDQUCTBHM-UAGQMJEPSA-N 2 1 347.463 0.211 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070477490 784159889 /nfs/dbraw/zinc/15/98/89/784159889.db2.gz DAUZACDQUCTBHM-UAGQMJEPSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553819 784265441 /nfs/dbraw/zinc/26/54/41/784265441.db2.gz HQITWQPWDLZFLR-HLLBOEOZSA-N 2 1 331.464 0.832 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001070563387 784280788 /nfs/dbraw/zinc/28/07/88/784280788.db2.gz AUPFVPVZHYRTGZ-GOEBONIOSA-N 2 1 328.420 0.695 20 30 ECEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001071000306 784372579 /nfs/dbraw/zinc/37/25/79/784372579.db2.gz XGOROICMXKTPSK-INIZCTEOSA-N 2 1 338.496 0.943 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001071000306 784372586 /nfs/dbraw/zinc/37/25/86/784372586.db2.gz XGOROICMXKTPSK-INIZCTEOSA-N 2 1 338.496 0.943 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001070689634 784556153 /nfs/dbraw/zinc/55/61/53/784556153.db2.gz ILYROYIRYLROEB-ARFHVFGLSA-N 2 1 329.448 0.422 20 30 ECEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603356 786753854 /nfs/dbraw/zinc/75/38/54/786753854.db2.gz DNPHUOMZBSLODS-MRXNPFEDSA-N 2 1 347.463 0.289 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603356 786753860 /nfs/dbraw/zinc/75/38/60/786753860.db2.gz DNPHUOMZBSLODS-MRXNPFEDSA-N 2 1 347.463 0.289 20 30 ECEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633859 786827937 /nfs/dbraw/zinc/82/79/37/786827937.db2.gz IIECBKKBRXXPBU-ROUUACIJSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633859 786827943 /nfs/dbraw/zinc/82/79/43/786827943.db2.gz IIECBKKBRXXPBU-ROUUACIJSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001073633859 786827951 /nfs/dbraw/zinc/82/79/51/786827951.db2.gz IIECBKKBRXXPBU-ROUUACIJSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633859 786827961 /nfs/dbraw/zinc/82/79/61/786827961.db2.gz IIECBKKBRXXPBU-ROUUACIJSA-N 2 1 349.475 0.470 20 30 ECEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813568 788868250 /nfs/dbraw/zinc/86/82/50/788868250.db2.gz WYQDHEXHDPHGBR-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813568 788868261 /nfs/dbraw/zinc/86/82/61/788868261.db2.gz WYQDHEXHDPHGBR-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCOCC1 ZINC001267440803 837421036 /nfs/dbraw/zinc/42/10/36/837421036.db2.gz GMDVXDQHFPNQJK-UHFFFAOYSA-N 2 1 330.432 0.829 20 30 ECEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266326149 835703315 /nfs/dbraw/zinc/70/33/15/835703315.db2.gz YNMSGGNWUXTTEY-INIZCTEOSA-N 2 1 339.480 0.738 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001266382280 835793115 /nfs/dbraw/zinc/79/31/15/835793115.db2.gz KRCSAZNNUQQCID-OAHLLOKOSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266401021 835809130 /nfs/dbraw/zinc/80/91/30/835809130.db2.gz XFLNLNREDMAROD-OAHLLOKOSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266401021 835809134 /nfs/dbraw/zinc/80/91/34/835809134.db2.gz XFLNLNREDMAROD-OAHLLOKOSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266441516 835846549 /nfs/dbraw/zinc/84/65/49/835846549.db2.gz GXNMUOFZODANSA-HOTGVXAUSA-N 2 1 345.447 0.463 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001266556496 835983835 /nfs/dbraw/zinc/98/38/35/835983835.db2.gz PGKIBGUOWRIEBD-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCC)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266556496 835983850 /nfs/dbraw/zinc/98/38/50/835983850.db2.gz PGKIBGUOWRIEBD-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCC)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001266556496 835983864 /nfs/dbraw/zinc/98/38/64/835983864.db2.gz PGKIBGUOWRIEBD-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267002558 836596890 /nfs/dbraw/zinc/59/68/90/836596890.db2.gz OKDXWSJRGRZOAE-MRXNPFEDSA-N 2 1 338.496 0.847 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001267168834 836894360 /nfs/dbraw/zinc/89/43/60/836894360.db2.gz FXYJXFUBJHRXTR-INIZCTEOSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271315 837112372 /nfs/dbraw/zinc/11/23/72/837112372.db2.gz SQUSLZOGHHNWNP-HOTGVXAUSA-N 2 1 346.475 0.333 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001267271315 837112377 /nfs/dbraw/zinc/11/23/77/837112377.db2.gz SQUSLZOGHHNWNP-HOTGVXAUSA-N 2 1 346.475 0.333 20 30 ECEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267632042 838092225 /nfs/dbraw/zinc/09/22/25/838092225.db2.gz KKBCWFZZSOQTEL-INIZCTEOSA-N 2 1 337.464 0.328 20 30 ECEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267632042 838092233 /nfs/dbraw/zinc/09/22/33/838092233.db2.gz KKBCWFZZSOQTEL-INIZCTEOSA-N 2 1 337.464 0.328 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267779888 838552341 /nfs/dbraw/zinc/55/23/41/838552341.db2.gz XKAZKNZETKBREX-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267779888 838552349 /nfs/dbraw/zinc/55/23/49/838552349.db2.gz XKAZKNZETKBREX-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(CC)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001267790971 838570276 /nfs/dbraw/zinc/57/02/76/838570276.db2.gz UDAHUVXEKKYWIO-IAGOWNOFSA-N 2 1 348.491 0.792 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267890462 838697576 /nfs/dbraw/zinc/69/75/76/838697576.db2.gz YRFLYLFERWLJCJ-INIZCTEOSA-N 2 1 345.447 0.159 20 30 ECEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081300854 436341243 /nfs/dbraw/zinc/34/12/43/436341243.db2.gz WVKVZHOGWLXAKT-QGZVFWFLSA-N 2 1 330.432 0.779 20 30 ECEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081300854 436341248 /nfs/dbraw/zinc/34/12/48/436341248.db2.gz WVKVZHOGWLXAKT-QGZVFWFLSA-N 2 1 330.432 0.779 20 30 ECEDMP C[NH+](C)[C@]1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCSC1 ZINC000262470026 436935655 /nfs/dbraw/zinc/93/56/55/436935655.db2.gz OPCFZGSLRJRNNJ-INIZCTEOSA-N 2 1 349.508 0.351 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccn1 ZINC000170910465 436959703 /nfs/dbraw/zinc/95/97/03/436959703.db2.gz XSIQXRFTVKATKC-UHFFFAOYSA-N 2 1 340.435 0.811 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1-n1cccn1 ZINC000170912199 436959736 /nfs/dbraw/zinc/95/97/36/436959736.db2.gz FPLKOAIHRYYOHG-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N1CCOCC1 ZINC000264123788 437016793 /nfs/dbraw/zinc/01/67/93/437016793.db2.gz VSVJMKJZAHYVQV-INIZCTEOSA-N 2 1 346.479 0.807 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000180381430 437290183 /nfs/dbraw/zinc/29/01/83/437290183.db2.gz MXZWQBOTJFDCET-HNNXBMFYSA-N 2 1 335.448 0.427 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000180381430 437290185 /nfs/dbraw/zinc/29/01/85/437290185.db2.gz MXZWQBOTJFDCET-HNNXBMFYSA-N 2 1 335.448 0.427 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000330183073 437464521 /nfs/dbraw/zinc/46/45/21/437464521.db2.gz PNJYBGCWRMBSIF-KRWDZBQOSA-N 2 1 337.468 0.979 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000330183073 437464523 /nfs/dbraw/zinc/46/45/23/437464523.db2.gz PNJYBGCWRMBSIF-KRWDZBQOSA-N 2 1 337.468 0.979 20 30 ECEDMP C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000330625597 437571655 /nfs/dbraw/zinc/57/16/55/437571655.db2.gz HSDDCGGHMUCMCO-DLBZAZTESA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000330625597 437571657 /nfs/dbraw/zinc/57/16/57/437571657.db2.gz HSDDCGGHMUCMCO-DLBZAZTESA-N 2 1 335.496 0.706 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000358796866 438302907 /nfs/dbraw/zinc/30/29/07/438302907.db2.gz SXZUMAOYBDQHAG-UHFFFAOYSA-N 2 1 337.468 0.146 20 30 ECEDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773561 439129701 /nfs/dbraw/zinc/12/97/01/439129701.db2.gz DPLNLCSMQQQAHX-ZWKOTPCHSA-N 2 1 347.459 0.980 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000491718885 439434544 /nfs/dbraw/zinc/43/45/44/439434544.db2.gz WXBPIUWFAZUCRH-OAHLLOKOSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000491718885 439434548 /nfs/dbraw/zinc/43/45/48/439434548.db2.gz WXBPIUWFAZUCRH-OAHLLOKOSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000491718885 439434551 /nfs/dbraw/zinc/43/45/51/439434551.db2.gz WXBPIUWFAZUCRH-OAHLLOKOSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000491718885 439434554 /nfs/dbraw/zinc/43/45/54/439434554.db2.gz WXBPIUWFAZUCRH-OAHLLOKOSA-N 2 1 338.452 0.220 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000491786531 439452020 /nfs/dbraw/zinc/45/20/20/439452020.db2.gz PBQGCTIJWWFJQA-KRWDZBQOSA-N 2 1 337.512 0.513 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000491786531 439452023 /nfs/dbraw/zinc/45/20/23/439452023.db2.gz PBQGCTIJWWFJQA-KRWDZBQOSA-N 2 1 337.512 0.513 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000491786531 439452028 /nfs/dbraw/zinc/45/20/28/439452028.db2.gz PBQGCTIJWWFJQA-KRWDZBQOSA-N 2 1 337.512 0.513 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000172339818 320516717 /nfs/dbraw/zinc/51/67/17/320516717.db2.gz YHOLVWVGGGYXMU-UHFFFAOYSA-N 2 1 326.404 0.460 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000855404424 589629005 /nfs/dbraw/zinc/62/90/05/589629005.db2.gz VLQFIIPPXLCFRU-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855404424 589629006 /nfs/dbraw/zinc/62/90/06/589629006.db2.gz VLQFIIPPXLCFRU-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000855404424 589629007 /nfs/dbraw/zinc/62/90/07/589629007.db2.gz VLQFIIPPXLCFRU-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000855404424 589629008 /nfs/dbraw/zinc/62/90/08/589629008.db2.gz VLQFIIPPXLCFRU-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242967 589884037 /nfs/dbraw/zinc/88/40/37/589884037.db2.gz CLMUSYMODYWXGS-JKSUJKDBSA-N 2 1 328.416 0.511 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000884219948 590779178 /nfs/dbraw/zinc/77/91/78/590779178.db2.gz BKLIRPOUXMOYBB-CBYDULDESA-N 2 1 346.475 0.885 20 30 ECEDMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884316344 590803577 /nfs/dbraw/zinc/80/35/77/590803577.db2.gz PSBYSFDSGSKVBV-XYSPPFBYSA-N 2 1 348.447 0.222 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938170061 609481426 /nfs/dbraw/zinc/48/14/26/609481426.db2.gz CIVFNAUPRRVJJH-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938170061 609481427 /nfs/dbraw/zinc/48/14/27/609481427.db2.gz CIVFNAUPRRVJJH-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000938170061 609481429 /nfs/dbraw/zinc/48/14/29/609481429.db2.gz CIVFNAUPRRVJJH-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000938170061 609481431 /nfs/dbraw/zinc/48/14/31/609481431.db2.gz CIVFNAUPRRVJJH-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913518698 609685120 /nfs/dbraw/zinc/68/51/20/609685120.db2.gz XNXOOQPCQOUHQT-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841130 609951232 /nfs/dbraw/zinc/95/12/32/609951232.db2.gz BFIDFCUEVBNXER-IAGOWNOFSA-N 2 1 334.464 0.589 20 30 ECEDMP C#CCN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456522 610318803 /nfs/dbraw/zinc/31/88/03/610318803.db2.gz QUFXYFMBVYMJRS-AEFFLSMTSA-N 2 1 330.476 0.465 20 30 ECEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908797 610428943 /nfs/dbraw/zinc/42/89/43/610428943.db2.gz PTOXZVNKDFTAPF-IOSXPMGOSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908797 610428944 /nfs/dbraw/zinc/42/89/44/610428944.db2.gz PTOXZVNKDFTAPF-IOSXPMGOSA-N 2 1 331.460 0.700 20 30 ECEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370145 611954847 /nfs/dbraw/zinc/95/48/47/611954847.db2.gz LHXSSIARBPWJPK-IAGOWNOFSA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370145 611954849 /nfs/dbraw/zinc/95/48/49/611954849.db2.gz LHXSSIARBPWJPK-IAGOWNOFSA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370145 611954852 /nfs/dbraw/zinc/95/48/52/611954852.db2.gz LHXSSIARBPWJPK-IAGOWNOFSA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370145 611954854 /nfs/dbraw/zinc/95/48/54/611954854.db2.gz LHXSSIARBPWJPK-IAGOWNOFSA-N 2 1 349.475 0.729 20 30 ECEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001208428415 731794897 /nfs/dbraw/zinc/79/48/97/731794897.db2.gz UPAIFJWTJVAEIT-UWWQBHOKSA-N 2 1 344.459 0.840 20 30 ECEDMP COCC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001208428415 731794900 /nfs/dbraw/zinc/79/49/00/731794900.db2.gz UPAIFJWTJVAEIT-UWWQBHOKSA-N 2 1 344.459 0.840 20 30 ECEDMP N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)c1 ZINC000970270666 733285541 /nfs/dbraw/zinc/28/55/41/733285541.db2.gz PIUWKSPBLGMSGO-GOSISDBHSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nccn3CC)C2)CC1 ZINC000970791935 733943231 /nfs/dbraw/zinc/94/32/31/733943231.db2.gz CWJODNQBOIGIHV-QGZVFWFLSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580700 735813052 /nfs/dbraw/zinc/81/30/52/735813052.db2.gz HSGRYICUGUZCSO-OAHLLOKOSA-N 2 1 347.463 0.630 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448617 736227569 /nfs/dbraw/zinc/22/75/69/736227569.db2.gz AZBVOPVUKMQXJX-GOSISDBHSA-N 2 1 331.460 0.941 20 30 ECEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448617 736227571 /nfs/dbraw/zinc/22/75/71/736227571.db2.gz AZBVOPVUKMQXJX-GOSISDBHSA-N 2 1 331.460 0.941 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2O)CC1 ZINC001078227420 782523337 /nfs/dbraw/zinc/52/33/37/782523337.db2.gz YXNVRZONHBKMIG-NANBGGJNSA-N 2 1 333.476 0.539 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2O)CC1 ZINC001078227195 782523584 /nfs/dbraw/zinc/52/35/84/782523584.db2.gz NQHBMKFSCBZUSU-QZTJIDSGSA-N 2 1 335.492 0.929 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001024022219 737627393 /nfs/dbraw/zinc/62/73/93/737627393.db2.gz QOYQKBHARZOPNF-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001024022219 737627395 /nfs/dbraw/zinc/62/73/95/737627395.db2.gz QOYQKBHARZOPNF-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)N(C)C)CC1 ZINC001024811904 738316095 /nfs/dbraw/zinc/31/60/95/738316095.db2.gz FCKPRYNYMFUKMA-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)CC1 ZINC001024811904 738316100 /nfs/dbraw/zinc/31/61/00/738316100.db2.gz FCKPRYNYMFUKMA-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240500 741531470 /nfs/dbraw/zinc/53/14/70/741531470.db2.gz PNTYZNBMTXQUBW-GDBMZVCRSA-N 2 1 344.463 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240500 741531471 /nfs/dbraw/zinc/53/14/71/741531471.db2.gz PNTYZNBMTXQUBW-GDBMZVCRSA-N 2 1 344.463 0.811 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256796 741572465 /nfs/dbraw/zinc/57/24/65/741572465.db2.gz SQRJOHFYKCEPIZ-QGZVFWFLSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328454 741819441 /nfs/dbraw/zinc/81/94/41/741819441.db2.gz FNHVXXBHKDFDGK-UHFFFAOYSA-N 2 1 344.463 0.506 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001029003355 743155219 /nfs/dbraw/zinc/15/52/19/743155219.db2.gz LUBNDVNKBVOMET-GOEBONIOSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001029002730 743156852 /nfs/dbraw/zinc/15/68/52/743156852.db2.gz XTOZTIHQDZDLHQ-MRXNPFEDSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001029004332 743158030 /nfs/dbraw/zinc/15/80/30/743158030.db2.gz VQFYBCXXMCEXRD-JKSUJKDBSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CCN([C@@H](C)C(N)=O)CC1 ZINC000997148363 743288575 /nfs/dbraw/zinc/28/85/75/743288575.db2.gz GOUUWCKXYVDMTJ-YCPHGPKFSA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997148363 743288582 /nfs/dbraw/zinc/28/85/82/743288582.db2.gz GOUUWCKXYVDMTJ-YCPHGPKFSA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997148363 743288587 /nfs/dbraw/zinc/28/85/87/743288587.db2.gz GOUUWCKXYVDMTJ-YCPHGPKFSA-N 2 1 334.464 0.175 20 30 ECEDMP C[NH+]=C(NCCN1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261988890 743301223 /nfs/dbraw/zinc/30/12/23/743301223.db2.gz QVZHXVAJIKCFLR-DZGCQCFKSA-N 2 1 325.526 0.683 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261996408 743338120 /nfs/dbraw/zinc/33/81/20/743338120.db2.gz SNLBUUHTXXQUNQ-USXIJHARSA-N 3 1 334.512 0.024 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261996408 743338130 /nfs/dbraw/zinc/33/81/30/743338130.db2.gz SNLBUUHTXXQUNQ-USXIJHARSA-N 2 1 334.512 0.024 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCc2cn([C@@H]3CC[N@H+](CC)C3)nn2)CC1 ZINC001000046879 745228138 /nfs/dbraw/zinc/22/81/38/745228138.db2.gz WZEUHIIYVRVQTI-QGZVFWFLSA-N 2 1 344.463 0.506 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001001263250 746223145 /nfs/dbraw/zinc/22/31/45/746223145.db2.gz IVWGKJNZCWBSSD-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001001490816 746428537 /nfs/dbraw/zinc/42/85/37/746428537.db2.gz DQQPCAOCAYQGCQ-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001001490816 746428540 /nfs/dbraw/zinc/42/85/40/746428540.db2.gz DQQPCAOCAYQGCQ-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001001491320 746429168 /nfs/dbraw/zinc/42/91/68/746429168.db2.gz HLGAPAGUGCDMFK-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001001491320 746429170 /nfs/dbraw/zinc/42/91/70/746429170.db2.gz HLGAPAGUGCDMFK-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP CN(C)C(=O)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C1CCOCC1 ZINC000262251416 746663527 /nfs/dbraw/zinc/66/35/27/746663527.db2.gz CALQAWDCVQBNBC-AWEZNQCLSA-N 2 1 337.468 0.026 20 30 ECEDMP CN(C)C(=O)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C1CCOCC1 ZINC000262251416 746663529 /nfs/dbraw/zinc/66/35/29/746663529.db2.gz CALQAWDCVQBNBC-AWEZNQCLSA-N 2 1 337.468 0.026 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978852097 746799281 /nfs/dbraw/zinc/79/92/81/746799281.db2.gz RQPBJJJQQDTQCN-OSYLJGHBSA-N 2 1 329.448 0.376 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)[C@@H]2C)CC1 ZINC000987573130 750974624 /nfs/dbraw/zinc/97/46/24/750974624.db2.gz YPOLCXBMTARYDF-BBRMVZONSA-N 2 1 331.420 0.494 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006317137 751238742 /nfs/dbraw/zinc/23/87/42/751238742.db2.gz XMWJDCAKMADQHL-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006317137 751238744 /nfs/dbraw/zinc/23/87/44/751238744.db2.gz XMWJDCAKMADQHL-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCC2)CC1 ZINC001028333068 752401608 /nfs/dbraw/zinc/40/16/08/752401608.db2.gz CDLJXBZNCMYXPZ-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCC2)CC1 ZINC001028333068 752401609 /nfs/dbraw/zinc/40/16/09/752401609.db2.gz CDLJXBZNCMYXPZ-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H]2CCN(C)C2=O)CC1 ZINC001028334037 752412556 /nfs/dbraw/zinc/41/25/56/752412556.db2.gz VCLMCWLYPKNFBQ-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC001007518521 752474140 /nfs/dbraw/zinc/47/41/40/752474140.db2.gz CGKBFLBMFMOBCN-WMZOPIPTSA-N 2 1 343.475 0.641 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001021053464 752484266 /nfs/dbraw/zinc/48/42/66/752484266.db2.gz OPCVUFPFJRYYRB-RBSFLKMASA-N 2 1 331.420 0.215 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098681110 753607320 /nfs/dbraw/zinc/60/73/20/753607320.db2.gz OGZJUDIZOSOAQX-HOTGVXAUSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000990276870 754931458 /nfs/dbraw/zinc/93/14/58/754931458.db2.gz KIALTURXORHZRV-CVEARBPZSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001009627372 755086192 /nfs/dbraw/zinc/08/61/92/755086192.db2.gz LNEXLCBLKPWHQD-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001009627372 755086194 /nfs/dbraw/zinc/08/61/94/755086194.db2.gz LNEXLCBLKPWHQD-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627826 755087533 /nfs/dbraw/zinc/08/75/33/755087533.db2.gz NSUIZFSQPBCNED-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860700 757207739 /nfs/dbraw/zinc/20/77/39/757207739.db2.gz BEWKAMGOSVHWAV-BBWFWOEESA-N 2 1 329.448 0.227 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860700 757207743 /nfs/dbraw/zinc/20/77/43/757207743.db2.gz BEWKAMGOSVHWAV-BBWFWOEESA-N 2 1 329.448 0.227 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccns2)C1 ZINC001051660015 762616629 /nfs/dbraw/zinc/61/66/29/762616629.db2.gz IVHMUMJJSFBNNU-ZBFHGGJFSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccns2)C1 ZINC001051660015 762616631 /nfs/dbraw/zinc/61/66/31/762616631.db2.gz IVHMUMJJSFBNNU-ZBFHGGJFSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncs2)C1 ZINC001051660219 762618043 /nfs/dbraw/zinc/61/80/43/762618043.db2.gz OLEUZLDWMOXXHG-ZBFHGGJFSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cncs2)C1 ZINC001051660219 762618048 /nfs/dbraw/zinc/61/80/48/762618048.db2.gz OLEUZLDWMOXXHG-ZBFHGGJFSA-N 2 1 348.472 0.558 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC001051660582 762619773 /nfs/dbraw/zinc/61/97/73/762619773.db2.gz XRKQXJPUVVEDTD-SJORKVTESA-N 2 1 346.431 0.398 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC001051660582 762619779 /nfs/dbraw/zinc/61/97/79/762619779.db2.gz XRKQXJPUVVEDTD-SJORKVTESA-N 2 1 346.431 0.398 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001022220395 758439863 /nfs/dbraw/zinc/43/98/63/758439863.db2.gz BBVWSYBXTRUBAX-BBWFWOEESA-N 2 1 329.448 0.297 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001022220395 758439869 /nfs/dbraw/zinc/43/98/69/758439869.db2.gz BBVWSYBXTRUBAX-BBWFWOEESA-N 2 1 329.448 0.297 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001022220505 758441909 /nfs/dbraw/zinc/44/19/09/758441909.db2.gz HJGXZVZZOOIHLT-XHSDSOJGSA-N 2 1 344.463 0.441 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001022220505 758441912 /nfs/dbraw/zinc/44/19/12/758441912.db2.gz HJGXZVZZOOIHLT-XHSDSOJGSA-N 2 1 344.463 0.441 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001022221082 758442954 /nfs/dbraw/zinc/44/29/54/758442954.db2.gz WZOMOMCISNNHFC-LZWOXQAQSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001022221082 758442961 /nfs/dbraw/zinc/44/29/61/758442961.db2.gz WZOMOMCISNNHFC-LZWOXQAQSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000996684330 758467047 /nfs/dbraw/zinc/46/70/47/758467047.db2.gz IMINSTQOJKIQHQ-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000996684330 758467049 /nfs/dbraw/zinc/46/70/49/758467049.db2.gz IMINSTQOJKIQHQ-SFHVURJKSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611313 758992396 /nfs/dbraw/zinc/99/23/96/758992396.db2.gz OMSKXWQVTXUGDP-RWBIUQBRSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611313 758992401 /nfs/dbraw/zinc/99/24/01/758992401.db2.gz OMSKXWQVTXUGDP-RWBIUQBRSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611313 758992411 /nfs/dbraw/zinc/99/24/11/758992411.db2.gz OMSKXWQVTXUGDP-RWBIUQBRSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001054244936 767861223 /nfs/dbraw/zinc/86/12/23/767861223.db2.gz LLAMZTSVPDOQIA-IBGZPJMESA-N 2 1 333.476 0.638 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995920288 760778337 /nfs/dbraw/zinc/77/83/37/760778337.db2.gz DZKHIRQSBKXKFV-DLBZAZTESA-N 2 1 343.475 0.807 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995920288 760778341 /nfs/dbraw/zinc/77/83/41/760778341.db2.gz DZKHIRQSBKXKFV-DLBZAZTESA-N 2 1 343.475 0.807 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083669101 760856255 /nfs/dbraw/zinc/85/62/55/760856255.db2.gz UDZKSYGGCWVJCY-MSOLQXFVSA-N 2 1 329.444 0.589 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083669101 760856266 /nfs/dbraw/zinc/85/62/66/760856266.db2.gz UDZKSYGGCWVJCY-MSOLQXFVSA-N 2 1 329.444 0.589 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974131 763150351 /nfs/dbraw/zinc/15/03/51/763150351.db2.gz OVHRNBBJJUGGRY-BZUAXINKSA-N 2 1 325.453 0.204 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974131 763150352 /nfs/dbraw/zinc/15/03/52/763150352.db2.gz OVHRNBBJJUGGRY-BZUAXINKSA-N 2 1 325.453 0.204 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001046849180 763227217 /nfs/dbraw/zinc/22/72/17/763227217.db2.gz CCQMBZQLCWUADR-YJBOKZPZSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001046850574 763232223 /nfs/dbraw/zinc/23/22/23/763232223.db2.gz WRRRQMFJGJVEHC-KDOFPFPSSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001046850574 763232232 /nfs/dbraw/zinc/23/22/32/763232232.db2.gz WRRRQMFJGJVEHC-KDOFPFPSSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127680626 763329585 /nfs/dbraw/zinc/32/95/85/763329585.db2.gz YDHYCFKYFUHIIF-KGLIPLIRSA-N 2 1 335.452 0.793 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001051932862 763377618 /nfs/dbraw/zinc/37/76/18/763377618.db2.gz XATMTGSFQWKYCZ-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCOC)CCC1(F)F ZINC001046947698 763439228 /nfs/dbraw/zinc/43/92/28/763439228.db2.gz WFGPQOVVPXUTSL-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCOC)CCC1(F)F ZINC001046947698 763439231 /nfs/dbraw/zinc/43/92/31/763439231.db2.gz WFGPQOVVPXUTSL-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCOC)CCC1(F)F ZINC001046947698 763439239 /nfs/dbraw/zinc/43/92/39/763439239.db2.gz WFGPQOVVPXUTSL-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCOC)CCC1(F)F ZINC001046947698 763439246 /nfs/dbraw/zinc/43/92/46/763439246.db2.gz WFGPQOVVPXUTSL-GJZGRUSLSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029923 763628344 /nfs/dbraw/zinc/62/83/44/763628344.db2.gz FIZAECYFJGNYFR-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001052040964 763664364 /nfs/dbraw/zinc/66/43/64/763664364.db2.gz NTAUHVVUEQBHLC-SFHVURJKSA-N 2 1 344.503 0.714 20 30 ECEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001047382080 764173366 /nfs/dbraw/zinc/17/33/66/764173366.db2.gz VWFRLCXRANOFHT-NJAFHUGGSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001047382080 764173369 /nfs/dbraw/zinc/17/33/69/764173369.db2.gz VWFRLCXRANOFHT-NJAFHUGGSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001047382080 764173372 /nfs/dbraw/zinc/17/33/72/764173372.db2.gz VWFRLCXRANOFHT-NJAFHUGGSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001047382080 764173379 /nfs/dbraw/zinc/17/33/79/764173379.db2.gz VWFRLCXRANOFHT-NJAFHUGGSA-N 2 1 333.476 0.778 20 30 ECEDMP N#Cc1ccccc1C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416677 764315127 /nfs/dbraw/zinc/31/51/27/764315127.db2.gz BBHLISQSLVIHQV-UHFFFAOYSA-N 2 1 330.432 0.876 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766755 764564174 /nfs/dbraw/zinc/56/41/74/764564174.db2.gz GRBKBTUNSOOIOB-NVXWUHKLSA-N 2 1 344.463 0.506 20 30 ECEDMP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)O2 ZINC001053601013 766409986 /nfs/dbraw/zinc/40/99/86/766409986.db2.gz YBVREWOWUZRGEI-IAGOWNOFSA-N 2 1 331.460 0.701 20 30 ECEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254976 766606412 /nfs/dbraw/zinc/60/64/12/766606412.db2.gz GZQCZRBQHBTJQA-HZPDHXFCSA-N 2 1 349.479 0.329 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026031 766681043 /nfs/dbraw/zinc/68/10/43/766681043.db2.gz BEIZHJIZTRTWTQ-MOPGFXCFSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000994753560 766711032 /nfs/dbraw/zinc/71/10/32/766711032.db2.gz IOPFDGMBGQZXAE-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000994753560 766711035 /nfs/dbraw/zinc/71/10/35/766711035.db2.gz IOPFDGMBGQZXAE-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000994753560 766711039 /nfs/dbraw/zinc/71/10/39/766711039.db2.gz IOPFDGMBGQZXAE-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000994753560 766711043 /nfs/dbraw/zinc/71/10/43/766711043.db2.gz IOPFDGMBGQZXAE-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000994756172 766724423 /nfs/dbraw/zinc/72/44/23/766724423.db2.gz UUWQWCSRFPNXEE-DLBZAZTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000994756172 766724428 /nfs/dbraw/zinc/72/44/28/766724428.db2.gz UUWQWCSRFPNXEE-DLBZAZTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000994756172 766724431 /nfs/dbraw/zinc/72/44/31/766724431.db2.gz UUWQWCSRFPNXEE-DLBZAZTESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000994756172 766724435 /nfs/dbraw/zinc/72/44/35/766724435.db2.gz UUWQWCSRFPNXEE-DLBZAZTESA-N 2 1 346.475 0.284 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069796 766870513 /nfs/dbraw/zinc/87/05/13/766870513.db2.gz JADFLBBQRDIPSR-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046071303 766876883 /nfs/dbraw/zinc/87/68/83/766876883.db2.gz GSOHXBXZEXHYGA-KRWDZBQOSA-N 2 1 336.480 0.113 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC001046071303 766876892 /nfs/dbraw/zinc/87/68/92/766876892.db2.gz GSOHXBXZEXHYGA-KRWDZBQOSA-N 2 1 336.480 0.113 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075919 766900263 /nfs/dbraw/zinc/90/02/63/766900263.db2.gz IHNNSQLLQFUYIZ-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075919 766900271 /nfs/dbraw/zinc/90/02/71/766900271.db2.gz IHNNSQLLQFUYIZ-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075919 766900278 /nfs/dbraw/zinc/90/02/78/766900278.db2.gz IHNNSQLLQFUYIZ-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295238 767179864 /nfs/dbraw/zinc/17/98/64/767179864.db2.gz CJZOQHLJBKWITQ-IAGOWNOFSA-N 2 1 349.479 0.840 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596202 767350072 /nfs/dbraw/zinc/35/00/72/767350072.db2.gz VSEQDXUUSDXBFA-QFBILLFUSA-N 2 1 348.491 0.696 20 30 ECEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC[N@H+]1C ZINC001106151758 767382973 /nfs/dbraw/zinc/38/29/73/767382973.db2.gz YYDLNIVXDCKFHY-LVQVYYBASA-N 2 1 349.479 0.041 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C#CC3CC3)CC2)C1 ZINC001055573895 769156455 /nfs/dbraw/zinc/15/64/55/769156455.db2.gz KMOHONMAJCSMAU-MRXNPFEDSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001055577869 769170045 /nfs/dbraw/zinc/17/00/45/769170045.db2.gz DDKYNZIFOZBLCH-UHFFFAOYSA-N 2 1 347.463 0.855 20 30 ECEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631292 769302273 /nfs/dbraw/zinc/30/22/73/769302273.db2.gz FQVCQUMTEAGNIG-CQSZACIVSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001018985795 770483352 /nfs/dbraw/zinc/48/33/52/770483352.db2.gz GEWHQFXOZZWSHA-XHSDSOJGSA-N 2 1 342.447 0.054 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001018985795 770483358 /nfs/dbraw/zinc/48/33/58/770483358.db2.gz GEWHQFXOZZWSHA-XHSDSOJGSA-N 2 1 342.447 0.054 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nncn3C)C2)CC1 ZINC001019816143 771831487 /nfs/dbraw/zinc/83/14/87/771831487.db2.gz SOEIYOSMRUVCHV-ZBFHGGJFSA-N 2 1 344.463 0.412 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020045670 772106534 /nfs/dbraw/zinc/10/65/34/772106534.db2.gz HQHPPGOFNJAQOK-BRWVUGGUSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020045670 772106536 /nfs/dbraw/zinc/10/65/36/772106536.db2.gz HQHPPGOFNJAQOK-BRWVUGGUSA-N 2 1 328.416 0.626 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001020213968 772295982 /nfs/dbraw/zinc/29/59/82/772295982.db2.gz BYSWQOJGNYEXPN-QAETUUGQSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001020250357 772349886 /nfs/dbraw/zinc/34/98/86/772349886.db2.gz DDARABFGSXHWAZ-ZOBUZTSGSA-N 2 1 329.448 0.297 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001020250357 772349890 /nfs/dbraw/zinc/34/98/90/772349890.db2.gz DDARABFGSXHWAZ-ZOBUZTSGSA-N 2 1 329.448 0.297 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001020397809 772541465 /nfs/dbraw/zinc/54/14/65/772541465.db2.gz BUKWHPLFIOKROE-RBSFLKMASA-N 2 1 331.420 0.215 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nccnc1C ZINC001045073453 774936722 /nfs/dbraw/zinc/93/67/22/774936722.db2.gz GLAIDYMECURIOV-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nccnc1C ZINC001045073453 774936724 /nfs/dbraw/zinc/93/67/24/774936724.db2.gz GLAIDYMECURIOV-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685601 776041305 /nfs/dbraw/zinc/04/13/05/776041305.db2.gz JNUWQUKKKHYQHF-IRXDYDNUSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227430 780897869 /nfs/dbraw/zinc/89/78/69/780897869.db2.gz TUCOSDUSRIZJBE-YESZJQIVSA-N 2 1 331.460 0.653 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212687 783668242 /nfs/dbraw/zinc/66/82/42/783668242.db2.gz MPLWXILYLKJXES-XHSDSOJGSA-N 2 1 330.436 0.127 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412894 784006329 /nfs/dbraw/zinc/00/63/29/784006329.db2.gz NKWFTHGRZPPYHY-IJEWVQPXSA-N 2 1 347.463 0.720 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412894 784006341 /nfs/dbraw/zinc/00/63/41/784006341.db2.gz NKWFTHGRZPPYHY-IJEWVQPXSA-N 2 1 347.463 0.720 20 30 ECEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412894 784006345 /nfs/dbraw/zinc/00/63/45/784006345.db2.gz NKWFTHGRZPPYHY-IJEWVQPXSA-N 2 1 347.463 0.720 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412894 784006352 /nfs/dbraw/zinc/00/63/52/784006352.db2.gz NKWFTHGRZPPYHY-IJEWVQPXSA-N 2 1 347.463 0.720 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001070414279 784013059 /nfs/dbraw/zinc/01/30/59/784013059.db2.gz JBYOTTAUVNWNNG-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001070414279 784013067 /nfs/dbraw/zinc/01/30/67/784013067.db2.gz JBYOTTAUVNWNNG-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001070414279 784013072 /nfs/dbraw/zinc/01/30/72/784013072.db2.gz JBYOTTAUVNWNNG-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070505865 784202744 /nfs/dbraw/zinc/20/27/44/784202744.db2.gz MGRYLLZJNBYNRK-USXIJHARSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001070966832 784255795 /nfs/dbraw/zinc/25/57/95/784255795.db2.gz PYEPIBJCQLBBTA-DLBZAZTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070966832 784255797 /nfs/dbraw/zinc/25/57/97/784255797.db2.gz PYEPIBJCQLBBTA-DLBZAZTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070966832 784255798 /nfs/dbraw/zinc/25/57/98/784255798.db2.gz PYEPIBJCQLBBTA-DLBZAZTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070966832 784255804 /nfs/dbraw/zinc/25/58/04/784255804.db2.gz PYEPIBJCQLBBTA-DLBZAZTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071015816 784424144 /nfs/dbraw/zinc/42/41/44/784424144.db2.gz VFKOFAWCVLGCRR-INIZCTEOSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071015816 784424149 /nfs/dbraw/zinc/42/41/49/784424149.db2.gz VFKOFAWCVLGCRR-INIZCTEOSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001071015816 784424157 /nfs/dbraw/zinc/42/41/57/784424157.db2.gz VFKOFAWCVLGCRR-INIZCTEOSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001071015816 784424166 /nfs/dbraw/zinc/42/41/66/784424166.db2.gz VFKOFAWCVLGCRR-INIZCTEOSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070682195 784545367 /nfs/dbraw/zinc/54/53/67/784545367.db2.gz OZORBDXVSWSCQW-MWDXBVQZSA-N 2 1 343.475 0.668 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001073563738 786617106 /nfs/dbraw/zinc/61/71/06/786617106.db2.gz IISJAESNRFKFAX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073563738 786617114 /nfs/dbraw/zinc/61/71/14/786617114.db2.gz IISJAESNRFKFAX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073563738 786617121 /nfs/dbraw/zinc/61/71/21/786617121.db2.gz IISJAESNRFKFAX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563738 786617127 /nfs/dbraw/zinc/61/71/27/786617127.db2.gz IISJAESNRFKFAX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563738 786617133 /nfs/dbraw/zinc/61/71/33/786617133.db2.gz IISJAESNRFKFAX-HOTGVXAUSA-N 2 1 325.453 0.490 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073634203 786829037 /nfs/dbraw/zinc/82/90/37/786829037.db2.gz OIGZUTZCPUSEHO-CVEARBPZSA-N 2 1 330.432 0.991 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073634203 786829048 /nfs/dbraw/zinc/82/90/48/786829048.db2.gz OIGZUTZCPUSEHO-CVEARBPZSA-N 2 1 330.432 0.991 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCF)CCCO2)CC1 ZINC001073899061 787474470 /nfs/dbraw/zinc/47/44/70/787474470.db2.gz KCEOXRZNMWZIDK-QGZVFWFLSA-N 2 1 339.455 0.898 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C)C1=O ZINC001074813836 788372583 /nfs/dbraw/zinc/37/25/83/788372583.db2.gz RNBBLMNRNMMSIX-QAETUUGQSA-N 2 1 348.491 0.837 20 30 ECEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)C1 ZINC001069840737 790075253 /nfs/dbraw/zinc/07/52/53/790075253.db2.gz MQUIIRASPHIXEW-RDJZCZTQSA-N 2 1 341.459 0.451 20 30 ECEDMP C=CCNC(=O)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267455410 837440370 /nfs/dbraw/zinc/44/03/70/837440370.db2.gz ZGGKWCXXXFAKQO-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267488114 837552966 /nfs/dbraw/zinc/55/29/66/837552966.db2.gz YNQRSPDNXAXRQU-OAHLLOKOSA-N 2 1 348.491 0.437 20 30 ECEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001098547567 836101572 /nfs/dbraw/zinc/10/15/72/836101572.db2.gz ASACJXJNLUQQHE-IBGZPJMESA-N 2 1 333.476 0.781 20 30 ECEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001098547567 836101579 /nfs/dbraw/zinc/10/15/79/836101579.db2.gz ASACJXJNLUQQHE-IBGZPJMESA-N 2 1 333.476 0.781 20 30 ECEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001098547567 836101583 /nfs/dbraw/zinc/10/15/83/836101583.db2.gz ASACJXJNLUQQHE-IBGZPJMESA-N 2 1 333.476 0.781 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001266728820 836207308 /nfs/dbraw/zinc/20/73/08/836207308.db2.gz MMKTWUOGSBMZTB-HOTGVXAUSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001266728820 836207315 /nfs/dbraw/zinc/20/73/15/836207315.db2.gz MMKTWUOGSBMZTB-HOTGVXAUSA-N 2 1 334.464 0.141 20 30 ECEDMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266977613 836548652 /nfs/dbraw/zinc/54/86/52/836548652.db2.gz AVCMRZGABVVMLC-MRXNPFEDSA-N 2 1 347.434 0.994 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267046903 836674585 /nfs/dbraw/zinc/67/45/85/836674585.db2.gz FTSKFQDGJUFOBG-IRXDYDNUSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267222747 837017412 /nfs/dbraw/zinc/01/74/12/837017412.db2.gz QZYMZKOLUODHTA-CQSZACIVSA-N 2 1 347.463 0.710 20 30 ECEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267582961 837849404 /nfs/dbraw/zinc/84/94/04/837849404.db2.gz MOSGEXZVYGXOHM-MRXNPFEDSA-N 2 1 331.464 0.862 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267589605 837877329 /nfs/dbraw/zinc/87/73/29/837877329.db2.gz OVGBLMKBUNFBJI-OAHLLOKOSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(CC)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001267790973 838570359 /nfs/dbraw/zinc/57/03/59/838570359.db2.gz UDAHUVXEKKYWIO-SJORKVTESA-N 2 1 348.491 0.792 20 30 ECEDMP C[N@@H+](CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1)C1CCC1 ZINC001267838337 838633329 /nfs/dbraw/zinc/63/33/29/838633329.db2.gz DLUONXBNIZQSHN-UHFFFAOYSA-N 2 1 335.452 0.129 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267962319 838876528 /nfs/dbraw/zinc/87/65/28/838876528.db2.gz CDOMUAZJODVLEB-VVLHAWIVSA-N 2 1 348.491 0.435 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)C1=O ZINC001268033286 839080872 /nfs/dbraw/zinc/08/08/72/839080872.db2.gz LDDZNENXQYMKLW-CVEARBPZSA-N 2 1 348.491 0.886 20 30 ECEDMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420035181 209284391 /nfs/dbraw/zinc/28/43/91/209284391.db2.gz YKGYIZDYCYUFPM-AWEZNQCLSA-N 2 1 343.431 0.056 20 30 ECEDMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420035181 209284394 /nfs/dbraw/zinc/28/43/94/209284394.db2.gz YKGYIZDYCYUFPM-AWEZNQCLSA-N 2 1 343.431 0.056 20 30 ECEDMP CN1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486355 207023348 /nfs/dbraw/zinc/02/33/48/207023348.db2.gz NWZAYVWVZLKWTM-SFHVURJKSA-N 2 1 342.443 0.923 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)CCc1ccccc1 ZINC000273385470 254537547 /nfs/dbraw/zinc/53/75/47/254537547.db2.gz YWBDIFXHTZVPDL-QGZVFWFLSA-N 2 1 334.464 0.607 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000080645719 436324754 /nfs/dbraw/zinc/32/47/54/436324754.db2.gz AYWDNEHNEKIYCW-UHFFFAOYSA-N 2 1 340.468 0.821 20 30 ECEDMP C[C@](C#N)(NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000051957963 436500089 /nfs/dbraw/zinc/50/00/89/436500089.db2.gz NKOBZLYYBPQZDE-GOSISDBHSA-N 2 1 334.464 0.839 20 30 ECEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000113999641 436639177 /nfs/dbraw/zinc/63/91/77/436639177.db2.gz ZLMNUWWHJDWRPM-CQSZACIVSA-N 2 1 333.436 0.707 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245422650 436762851 /nfs/dbraw/zinc/76/28/51/436762851.db2.gz JAIYWDQPPRVMPA-DLBZAZTESA-N 2 1 335.496 0.849 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245422650 436762854 /nfs/dbraw/zinc/76/28/54/436762854.db2.gz JAIYWDQPPRVMPA-DLBZAZTESA-N 2 1 335.496 0.849 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245422653 436763081 /nfs/dbraw/zinc/76/30/81/436763081.db2.gz JAIYWDQPPRVMPA-IAGOWNOFSA-N 2 1 335.496 0.849 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245422653 436763087 /nfs/dbraw/zinc/76/30/87/436763087.db2.gz JAIYWDQPPRVMPA-IAGOWNOFSA-N 2 1 335.496 0.849 20 30 ECEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000170906951 436960096 /nfs/dbraw/zinc/96/00/96/436960096.db2.gz DNPJPEQMCKZPDK-HNNXBMFYSA-N 2 1 333.480 0.983 20 30 ECEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000267452617 437326564 /nfs/dbraw/zinc/32/65/64/437326564.db2.gz RVNHJJGWLJGSNT-HNNXBMFYSA-N 2 1 349.479 0.396 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185734615 437448575 /nfs/dbraw/zinc/44/85/75/437448575.db2.gz LTPZBWWXYWPEOP-MRXNPFEDSA-N 2 1 337.512 0.962 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290618610 437506242 /nfs/dbraw/zinc/50/62/42/437506242.db2.gz KGLBJKVSHBWIIK-HKUYNNGSSA-N 2 1 346.475 0.779 20 30 ECEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000451598703 438700376 /nfs/dbraw/zinc/70/03/76/438700376.db2.gz LZFPWHZHJIDDOR-OAGGEKHMSA-N 2 1 325.453 0.393 20 30 ECEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000566171549 439017846 /nfs/dbraw/zinc/01/78/46/439017846.db2.gz SDVHFYSPQNOPPW-OAHLLOKOSA-N 2 1 345.451 0.126 20 30 ECEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000598601268 439285514 /nfs/dbraw/zinc/28/55/14/439285514.db2.gz RZSXGZXXSUCOMS-HNNXBMFYSA-N 2 1 325.453 0.446 20 30 ECEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000584599198 439603242 /nfs/dbraw/zinc/60/32/42/439603242.db2.gz SCOOENVTLQXQAW-IAGOWNOFSA-N 2 1 333.432 0.539 20 30 ECEDMP C=CCNC(=O)CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260665 440996423 /nfs/dbraw/zinc/99/64/23/440996423.db2.gz OQQJQHYDTJQPDM-UHFFFAOYSA-N 2 1 328.460 0.752 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668836247 547762812 /nfs/dbraw/zinc/76/28/12/547762812.db2.gz UOLXOYLAAYUSPB-HNNXBMFYSA-N 2 1 336.480 0.742 20 30 ECEDMP CC[N@@H+]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000741458372 579774680 /nfs/dbraw/zinc/77/46/80/579774680.db2.gz ZMESJXNVSQGUJO-AWEZNQCLSA-N 2 1 341.525 0.891 20 30 ECEDMP CC[N@H+]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000741458372 579774682 /nfs/dbraw/zinc/77/46/82/579774682.db2.gz ZMESJXNVSQGUJO-AWEZNQCLSA-N 2 1 341.525 0.891 20 30 ECEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900797555 586664436 /nfs/dbraw/zinc/66/44/36/586664436.db2.gz HEFBYINLNZUWPU-INIZCTEOSA-N 2 1 349.475 0.865 20 30 ECEDMP C#CCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900797555 586664437 /nfs/dbraw/zinc/66/44/37/586664437.db2.gz HEFBYINLNZUWPU-INIZCTEOSA-N 2 1 349.475 0.865 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000900967717 586679944 /nfs/dbraw/zinc/67/99/44/586679944.db2.gz OHXPRCSWKUTISH-CQSZACIVSA-N 2 1 331.482 0.072 20 30 ECEDMP COc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C#N ZINC000872255349 590108612 /nfs/dbraw/zinc/10/86/12/590108612.db2.gz CKFAEPGESLZTCS-INMHGKMJSA-N 2 1 342.399 0.934 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc(N3CC[NH2+]CC3)ccn1)C2 ZINC000884462725 590833879 /nfs/dbraw/zinc/83/38/79/590833879.db2.gz MWEYBCWDBJUSGP-TXKKKEFDSA-N 2 1 340.431 0.569 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623954 611370739 /nfs/dbraw/zinc/37/07/39/611370739.db2.gz WCGHWCPVEFUFPD-KSZLIROESA-N 2 1 343.475 0.617 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623954 611370741 /nfs/dbraw/zinc/37/07/41/611370741.db2.gz WCGHWCPVEFUFPD-KSZLIROESA-N 2 1 343.475 0.617 20 30 ECEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000929955342 611371392 /nfs/dbraw/zinc/37/13/92/611371392.db2.gz OCYCLLYBTIJFNQ-KRWDZBQOSA-N 2 1 348.491 0.533 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000930007253 611379644 /nfs/dbraw/zinc/37/96/44/611379644.db2.gz MYKHMBJOVUTESC-UHFFFAOYSA-N 2 1 345.447 0.685 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC000930007432 611379705 /nfs/dbraw/zinc/37/97/05/611379705.db2.gz QNJBRJSXSOMFEZ-KDOFPFPSSA-N 2 1 334.464 0.163 20 30 ECEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NCCOC)cc2)CC1 ZINC000161512578 608860348 /nfs/dbraw/zinc/86/03/48/608860348.db2.gz FFSZEPIOZIHLRD-UHFFFAOYSA-N 2 1 333.480 0.875 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157389217 609723909 /nfs/dbraw/zinc/72/39/09/609723909.db2.gz VWSLFTWSDGFSPX-QGZVFWFLSA-N 2 1 339.528 0.852 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000939731558 610110877 /nfs/dbraw/zinc/11/08/77/610110877.db2.gz MDHKPHQGPZQXCF-IKGGRYGDSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000939731558 610110878 /nfs/dbraw/zinc/11/08/78/610110878.db2.gz MDHKPHQGPZQXCF-IKGGRYGDSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456803 610319168 /nfs/dbraw/zinc/31/91/68/610319168.db2.gz TZNIMLYLQYXSMY-IEBWSBKVSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456803 610319169 /nfs/dbraw/zinc/31/91/69/610319169.db2.gz TZNIMLYLQYXSMY-IEBWSBKVSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000941512471 610352200 /nfs/dbraw/zinc/35/22/00/610352200.db2.gz JEWWDJPGXZUNQU-UHFFFAOYSA-N 2 1 332.492 0.713 20 30 ECEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566324 610386514 /nfs/dbraw/zinc/38/65/14/610386514.db2.gz BNMBYFIYHUQHNJ-WMZOPIPTSA-N 2 1 334.508 0.979 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908798 610428969 /nfs/dbraw/zinc/42/89/69/610428969.db2.gz PTOXZVNKDFTAPF-YJTLQXIOSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908798 610428970 /nfs/dbraw/zinc/42/89/70/610428970.db2.gz PTOXZVNKDFTAPF-YJTLQXIOSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000941246036 610617219 /nfs/dbraw/zinc/61/72/19/610617219.db2.gz ZTKLFWGPCLGATR-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000941246036 610617220 /nfs/dbraw/zinc/61/72/20/610617220.db2.gz ZTKLFWGPCLGATR-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000941246036 610617223 /nfs/dbraw/zinc/61/72/23/610617223.db2.gz ZTKLFWGPCLGATR-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000941246036 610617226 /nfs/dbraw/zinc/61/72/26/610617226.db2.gz ZTKLFWGPCLGATR-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058434 610636318 /nfs/dbraw/zinc/63/63/18/610636318.db2.gz XTYCLRRAZGGNIJ-JKSUJKDBSA-N 2 1 331.464 0.908 20 30 ECEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185524597 611050684 /nfs/dbraw/zinc/05/06/84/611050684.db2.gz QOGROMQQZBXYRP-OAHLLOKOSA-N 2 1 339.484 0.083 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCOC)C3)C2)CC1 ZINC001041845366 782325811 /nfs/dbraw/zinc/32/58/11/782325811.db2.gz XHKUHYWTNWRGLM-IBGZPJMESA-N 2 1 333.476 0.902 20 30 ECEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970761997 733922374 /nfs/dbraw/zinc/92/23/74/733922374.db2.gz HYSRMPSYTYWTQR-OLZOCXBDSA-N 2 1 346.269 0.806 20 30 ECEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970761997 733922377 /nfs/dbraw/zinc/92/23/77/733922377.db2.gz HYSRMPSYTYWTQR-OLZOCXBDSA-N 2 1 346.269 0.806 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001023130953 736526629 /nfs/dbraw/zinc/52/66/29/736526629.db2.gz OUWTVPQQWXAPBD-YVSFHVDLSA-N 2 1 348.491 0.885 20 30 ECEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500655 736926504 /nfs/dbraw/zinc/92/65/04/736926504.db2.gz XIYVEMXCOYAKAG-FXQQTDPRSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500655 736926507 /nfs/dbraw/zinc/92/65/07/736926507.db2.gz XIYVEMXCOYAKAG-FXQQTDPRSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500655 736926510 /nfs/dbraw/zinc/92/65/10/736926510.db2.gz XIYVEMXCOYAKAG-FXQQTDPRSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578551 737075493 /nfs/dbraw/zinc/07/54/93/737075493.db2.gz XGASZCDRFYVUPY-SJORKVTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578551 737075497 /nfs/dbraw/zinc/07/54/97/737075497.db2.gz XGASZCDRFYVUPY-SJORKVTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)CC1 ZINC000972686694 737378224 /nfs/dbraw/zinc/37/82/24/737378224.db2.gz BQQYLKVCLSMTDN-APWZRJJASA-N 2 1 349.475 0.016 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001024021857 737626668 /nfs/dbraw/zinc/62/66/68/737626668.db2.gz LBJLLZFLMJOAAK-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cn(C)nn2)C1 ZINC001024021857 737626670 /nfs/dbraw/zinc/62/66/70/737626670.db2.gz LBJLLZFLMJOAAK-WBVHZDCISA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001024022312 737627383 /nfs/dbraw/zinc/62/73/83/737627383.db2.gz UAVBYRVXMQZEGN-IRXDYDNUSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001024022312 737627384 /nfs/dbraw/zinc/62/73/84/737627384.db2.gz UAVBYRVXMQZEGN-IRXDYDNUSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000973410802 739224389 /nfs/dbraw/zinc/22/43/89/739224389.db2.gz QGIBPQSFWSYQRD-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000973410802 739224394 /nfs/dbraw/zinc/22/43/94/739224394.db2.gz QGIBPQSFWSYQRD-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000973410802 739224397 /nfs/dbraw/zinc/22/43/97/739224397.db2.gz QGIBPQSFWSYQRD-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000973410802 739224405 /nfs/dbraw/zinc/22/44/05/739224405.db2.gz QGIBPQSFWSYQRD-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679174 739462151 /nfs/dbraw/zinc/46/21/51/739462151.db2.gz HDMOGJLVLWVTOP-BRWVUGGUSA-N 2 1 348.491 0.152 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001026508688 741495491 /nfs/dbraw/zinc/49/54/91/741495491.db2.gz FQPFCPBIYQBPJQ-GPANFISMSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2ncnn2C)CC1 ZINC001026508688 741495493 /nfs/dbraw/zinc/49/54/93/741495493.db2.gz FQPFCPBIYQBPJQ-GPANFISMSA-N 2 1 344.463 0.430 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242604 741539551 /nfs/dbraw/zinc/53/95/51/741539551.db2.gz BLYLLMDYJSSIRB-MRXNPFEDSA-N 2 1 330.436 0.279 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256702 741571664 /nfs/dbraw/zinc/57/16/64/741571664.db2.gz NWLXSAUJDBKYKR-KRWDZBQOSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)nn1 ZINC001105268509 741610789 /nfs/dbraw/zinc/61/07/89/741610789.db2.gz QHURMIWIBDPUCR-RDJZCZTQSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268509 741610791 /nfs/dbraw/zinc/61/07/91/741610791.db2.gz QHURMIWIBDPUCR-RDJZCZTQSA-N 2 1 344.463 0.954 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749632 741759879 /nfs/dbraw/zinc/75/98/79/741759879.db2.gz MNWVTMLRCFSVIR-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749632 741759882 /nfs/dbraw/zinc/75/98/82/741759882.db2.gz MNWVTMLRCFSVIR-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC000997150220 743289128 /nfs/dbraw/zinc/28/91/28/743289128.db2.gz XGBRRJANFNLZGI-INMHGKMJSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC000997150220 743289133 /nfs/dbraw/zinc/28/91/33/743289133.db2.gz XGBRRJANFNLZGI-INMHGKMJSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000997831821 743841985 /nfs/dbraw/zinc/84/19/85/743841985.db2.gz MURLLWRDZWJPRQ-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000997831821 743841989 /nfs/dbraw/zinc/84/19/89/743841989.db2.gz MURLLWRDZWJPRQ-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813684 744357109 /nfs/dbraw/zinc/35/71/09/744357109.db2.gz XKSXJVLGDFTGRO-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813684 744357113 /nfs/dbraw/zinc/35/71/13/744357113.db2.gz XKSXJVLGDFTGRO-ROUUACIJSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996942 745156480 /nfs/dbraw/zinc/15/64/80/745156480.db2.gz KKDJGQJWFZANMX-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996942 745156484 /nfs/dbraw/zinc/15/64/84/745156484.db2.gz KKDJGQJWFZANMX-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996942 745156488 /nfs/dbraw/zinc/15/64/88/745156488.db2.gz KKDJGQJWFZANMX-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC000984047154 745733651 /nfs/dbraw/zinc/73/36/51/745733651.db2.gz HNOMGZNYDPQPPA-VQHPVUNQSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnoc3C)C[C@H]21 ZINC000978280658 746143041 /nfs/dbraw/zinc/14/30/41/746143041.db2.gz JSYVZGWGNVMGOP-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnoc3C)C[C@H]21 ZINC000978280658 746143047 /nfs/dbraw/zinc/14/30/47/746143047.db2.gz JSYVZGWGNVMGOP-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cnoc3C)C[C@H]21 ZINC000978280658 746143050 /nfs/dbraw/zinc/14/30/50/746143050.db2.gz JSYVZGWGNVMGOP-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cnoc3C)C[C@H]21 ZINC000978280658 746143055 /nfs/dbraw/zinc/14/30/55/746143055.db2.gz JSYVZGWGNVMGOP-FJIDUMEYSA-N 2 1 342.443 0.875 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@]2(C)C1 ZINC000982384224 752082443 /nfs/dbraw/zinc/08/24/43/752082443.db2.gz CSIOLMCETOEGPF-URVUZCHPSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@]2(C)C1 ZINC000982384224 752082446 /nfs/dbraw/zinc/08/24/46/752082446.db2.gz CSIOLMCETOEGPF-URVUZCHPSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@]2(C)C1 ZINC000982384224 752082453 /nfs/dbraw/zinc/08/24/53/752082453.db2.gz CSIOLMCETOEGPF-URVUZCHPSA-N 2 1 343.471 0.653 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001001454543 746393164 /nfs/dbraw/zinc/39/31/64/746393164.db2.gz XTWPMCSGXCQMFX-IAGOWNOFSA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454543 746393170 /nfs/dbraw/zinc/39/31/70/746393170.db2.gz XTWPMCSGXCQMFX-IAGOWNOFSA-N 2 1 346.475 0.473 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC001001454543 746393177 /nfs/dbraw/zinc/39/31/77/746393177.db2.gz XTWPMCSGXCQMFX-IAGOWNOFSA-N 2 1 346.475 0.473 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000978952034 746944325 /nfs/dbraw/zinc/94/43/25/746944325.db2.gz FSGJXBCHKFGLJX-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978952034 746944333 /nfs/dbraw/zinc/94/43/33/746944333.db2.gz FSGJXBCHKFGLJX-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000978952034 746944337 /nfs/dbraw/zinc/94/43/37/746944337.db2.gz FSGJXBCHKFGLJX-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000978952034 746944340 /nfs/dbraw/zinc/94/43/40/746944340.db2.gz FSGJXBCHKFGLJX-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350312 748871720 /nfs/dbraw/zinc/87/17/20/748871720.db2.gz UJJFGNNXEDUVGL-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccnn1C ZINC001027943915 749675973 /nfs/dbraw/zinc/67/59/73/749675973.db2.gz PDEYIVAOHQGHCU-MSOLQXFVSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)[C@H]2C)CC1 ZINC000987578925 750980855 /nfs/dbraw/zinc/98/08/55/750980855.db2.gz YXESDFKRFSYTSS-ZBFHGGJFSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cncn2C)CC1 ZINC001028333544 752400058 /nfs/dbraw/zinc/40/00/58/752400058.db2.gz NSQXWBZYQAKWNW-QGZVFWFLSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cncn2C)CC1 ZINC001028333544 752400064 /nfs/dbraw/zinc/40/00/64/752400064.db2.gz NSQXWBZYQAKWNW-QGZVFWFLSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001030019217 752630761 /nfs/dbraw/zinc/63/07/61/752630761.db2.gz UUFALNJZJHMXBU-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001030019217 752630767 /nfs/dbraw/zinc/63/07/67/752630767.db2.gz UUFALNJZJHMXBU-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465799 752755994 /nfs/dbraw/zinc/75/59/94/752755994.db2.gz MZLKGNAUMGSNTA-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465799 752755997 /nfs/dbraw/zinc/75/59/97/752755997.db2.gz MZLKGNAUMGSNTA-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465799 752756003 /nfs/dbraw/zinc/75/60/03/752756003.db2.gz MZLKGNAUMGSNTA-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465799 752756007 /nfs/dbraw/zinc/75/60/07/752756007.db2.gz MZLKGNAUMGSNTA-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462737 753369653 /nfs/dbraw/zinc/36/96/53/753369653.db2.gz XQNNLNXDMACHRJ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462737 753369656 /nfs/dbraw/zinc/36/96/56/753369656.db2.gz XQNNLNXDMACHRJ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462737 753369659 /nfs/dbraw/zinc/36/96/59/753369659.db2.gz XQNNLNXDMACHRJ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462737 753369661 /nfs/dbraw/zinc/36/96/61/753369661.db2.gz XQNNLNXDMACHRJ-JQHSSLGASA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001028600571 753874628 /nfs/dbraw/zinc/87/46/28/753874628.db2.gz AMQVEPZGUFLSFN-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001028600571 753874638 /nfs/dbraw/zinc/87/46/38/753874638.db2.gz AMQVEPZGUFLSFN-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001028600571 753874644 /nfs/dbraw/zinc/87/46/44/753874644.db2.gz AMQVEPZGUFLSFN-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001028600571 753874645 /nfs/dbraw/zinc/87/46/45/753874645.db2.gz AMQVEPZGUFLSFN-AEFFLSMTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001028601639 753882292 /nfs/dbraw/zinc/88/22/92/753882292.db2.gz RURAMFOEJLVUTP-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001028601639 753882297 /nfs/dbraw/zinc/88/22/97/753882297.db2.gz RURAMFOEJLVUTP-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001028601639 753882303 /nfs/dbraw/zinc/88/23/03/753882303.db2.gz RURAMFOEJLVUTP-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001028601639 753882309 /nfs/dbraw/zinc/88/23/09/753882309.db2.gz RURAMFOEJLVUTP-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@H](CC)C(N)=O)CC2)CC1 ZINC000989734950 754367025 /nfs/dbraw/zinc/36/70/25/754367025.db2.gz LOHSCZDGOMVKGZ-MRXNPFEDSA-N 2 1 334.464 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H](CC)C(N)=O)CC2)CC1 ZINC000989734950 754367033 /nfs/dbraw/zinc/36/70/33/754367033.db2.gz LOHSCZDGOMVKGZ-MRXNPFEDSA-N 2 1 334.464 0.130 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376983 754449923 /nfs/dbraw/zinc/44/99/23/754449923.db2.gz NWGBHMKSWFJCKQ-GASCZTMLSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nncn3C)C[C@H]2C)CC1 ZINC000989829223 754498665 /nfs/dbraw/zinc/49/86/65/754498665.db2.gz PJRWYPADXQFGHY-GDBMZVCRSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667105 755600673 /nfs/dbraw/zinc/60/06/73/755600673.db2.gz OBLQBNXBQFAYAN-PSBWJHGTSA-N 2 1 335.492 0.928 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436674 756135135 /nfs/dbraw/zinc/13/51/35/756135135.db2.gz RFJYUWKHCHEHIZ-SJORKVTESA-N 2 1 328.416 0.579 20 30 ECEDMP CN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436674 756135138 /nfs/dbraw/zinc/13/51/38/756135138.db2.gz RFJYUWKHCHEHIZ-SJORKVTESA-N 2 1 328.416 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](CC)CC ZINC001076629682 756751565 /nfs/dbraw/zinc/75/15/65/756751565.db2.gz RZGCROJMUMNKOU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](CC)CC ZINC001076629682 756751570 /nfs/dbraw/zinc/75/15/70/756751570.db2.gz RZGCROJMUMNKOU-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001021926967 758071922 /nfs/dbraw/zinc/07/19/22/758071922.db2.gz YKPHYVGWGZGIKK-UXLLHSPISA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001021926967 758071937 /nfs/dbraw/zinc/07/19/37/758071937.db2.gz YKPHYVGWGZGIKK-UXLLHSPISA-N 2 1 346.406 0.765 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001077123767 758248980 /nfs/dbraw/zinc/24/89/80/758248980.db2.gz CASGHRCQNAHMMN-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001077123767 758248989 /nfs/dbraw/zinc/24/89/89/758248989.db2.gz CASGHRCQNAHMMN-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001077123767 758248999 /nfs/dbraw/zinc/24/89/99/758248999.db2.gz CASGHRCQNAHMMN-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001077123767 758249009 /nfs/dbraw/zinc/24/90/09/758249009.db2.gz CASGHRCQNAHMMN-XHSDSOJGSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077125244 758290409 /nfs/dbraw/zinc/29/04/09/758290409.db2.gz PYDHGPQNRGTRKS-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077125244 758290421 /nfs/dbraw/zinc/29/04/21/758290421.db2.gz PYDHGPQNRGTRKS-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001077125258 758291460 /nfs/dbraw/zinc/29/14/60/758291460.db2.gz QGQQYBPIIGUUSO-XIRDDKMYSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001077125258 758291463 /nfs/dbraw/zinc/29/14/63/758291463.db2.gz QGQQYBPIIGUUSO-XIRDDKMYSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCn3cncn3)C2)CC1 ZINC001046850398 763230206 /nfs/dbraw/zinc/23/02/06/763230206.db2.gz VGYJFTYPGUDHCR-GOSISDBHSA-N 2 1 344.463 0.204 20 30 ECEDMP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027972 763622519 /nfs/dbraw/zinc/62/25/19/763622519.db2.gz LREHVAYJQCSLJP-QZTJIDSGSA-N 2 1 332.492 0.733 20 30 ECEDMP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027972 763622524 /nfs/dbraw/zinc/62/25/24/763622524.db2.gz LREHVAYJQCSLJP-QZTJIDSGSA-N 2 1 332.492 0.733 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CCC=C)CC2)C1 ZINC001052037284 763653936 /nfs/dbraw/zinc/65/39/36/763653936.db2.gz JUPWYAHIAVKJNH-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CCC=C)CC2)C1 ZINC001052037284 763653942 /nfs/dbraw/zinc/65/39/42/763653942.db2.gz JUPWYAHIAVKJNH-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081356 763797707 /nfs/dbraw/zinc/79/77/07/763797707.db2.gz AETWYRYKTIYURO-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001047501154 764525508 /nfs/dbraw/zinc/52/55/08/764525508.db2.gz NHCCFSAOBUGACX-SQNIBIBYSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001052959011 765415092 /nfs/dbraw/zinc/41/50/92/765415092.db2.gz QFTVURMYHCCAJE-IAGOWNOFSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338155 766146460 /nfs/dbraw/zinc/14/64/60/766146460.db2.gz XHMUMDSGUYXHDC-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001077518882 766481873 /nfs/dbraw/zinc/48/18/73/766481873.db2.gz TVJDFAKUWBADKE-JYJNAYRXSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001077518882 766481876 /nfs/dbraw/zinc/48/18/76/766481876.db2.gz TVJDFAKUWBADKE-JYJNAYRXSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC001046028613 766691041 /nfs/dbraw/zinc/69/10/41/766691041.db2.gz CYHFWBFMCVIWCV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028613 766691045 /nfs/dbraw/zinc/69/10/45/766691045.db2.gz CYHFWBFMCVIWCV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC2)C1 ZINC001046028613 766691049 /nfs/dbraw/zinc/69/10/49/766691049.db2.gz CYHFWBFMCVIWCV-ROUUACIJSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016740840 766826793 /nfs/dbraw/zinc/82/67/93/766826793.db2.gz PKBQQTXOVWFOBB-RXCRORICSA-N 2 1 343.471 0.844 20 30 ECEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741503 766829059 /nfs/dbraw/zinc/82/90/59/766829059.db2.gz YEPURBYMIDPPOF-RXCRORICSA-N 2 1 343.471 0.844 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075938 766899953 /nfs/dbraw/zinc/89/99/53/766899953.db2.gz IPWDFNWIIGGAGU-KRWDZBQOSA-N 2 1 330.476 0.324 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084160 766924436 /nfs/dbraw/zinc/92/44/36/766924436.db2.gz KYFBAVWAGIUGCD-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046084160 766924439 /nfs/dbraw/zinc/92/44/39/766924439.db2.gz KYFBAVWAGIUGCD-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](CC#C)CC3)CC2)C1 ZINC001046086257 766928193 /nfs/dbraw/zinc/92/81/93/766928193.db2.gz NREPJTXSJYNOCC-LJQANCHMSA-N 2 1 342.487 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CCC)C3)CC2)CC1 ZINC001046086496 766928578 /nfs/dbraw/zinc/92/85/78/766928578.db2.gz OTUTXNPNLLTYKY-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055573807 769155622 /nfs/dbraw/zinc/15/56/22/769155622.db2.gz IWBLOYKEVSGKPJ-KRWDZBQOSA-N 2 1 346.475 0.191 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168579 770981002 /nfs/dbraw/zinc/98/10/02/770981002.db2.gz KRNGCEMIOBJCCJ-IOSBVQAASA-N 2 1 325.840 0.793 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001031435085 771069500 /nfs/dbraw/zinc/06/95/00/771069500.db2.gz PJZPBKHWWZNSKY-HNNXBMFYSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)CC(C)(C)C2)CC1 ZINC001089560843 771491445 /nfs/dbraw/zinc/49/14/45/771491445.db2.gz IKKUXUALZCCNJO-KRWDZBQOSA-N 2 1 335.492 0.931 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001019800394 771813300 /nfs/dbraw/zinc/81/33/00/771813300.db2.gz IPGKLVZXGUORBQ-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001019800394 771813305 /nfs/dbraw/zinc/81/33/05/771813305.db2.gz IPGKLVZXGUORBQ-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001020250561 772351071 /nfs/dbraw/zinc/35/10/71/772351071.db2.gz IMIILYCSQZXIBK-MPGHIAIKSA-N 2 1 341.459 0.664 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001020250940 772351381 /nfs/dbraw/zinc/35/13/81/772351381.db2.gz XLAHNVMRQPQLPF-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001020250940 772351389 /nfs/dbraw/zinc/35/13/89/772351389.db2.gz XLAHNVMRQPQLPF-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1 ZINC001020250850 772351679 /nfs/dbraw/zinc/35/16/79/772351679.db2.gz UQMFSQJPBYRPED-VQHPVUNQSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1 ZINC001020250850 772351683 /nfs/dbraw/zinc/35/16/83/772351683.db2.gz UQMFSQJPBYRPED-VQHPVUNQSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC001042268217 783010945 /nfs/dbraw/zinc/01/09/45/783010945.db2.gz ZQUQXGBURFFVRY-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001020302796 772418132 /nfs/dbraw/zinc/41/81/32/772418132.db2.gz SRCOCCSXCJVHSH-FPCVCCKLSA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)C1=O ZINC001045070305 774930744 /nfs/dbraw/zinc/93/07/44/774930744.db2.gz BXXBQEUQGQBFQQ-IRXDYDNUSA-N 2 1 348.491 0.838 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015218 790329363 /nfs/dbraw/zinc/32/93/63/790329363.db2.gz LBUNYRYNLWMJIZ-SJORKVTESA-N 2 1 346.479 0.928 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664741 775994872 /nfs/dbraw/zinc/99/48/72/775994872.db2.gz OFZHLBKTFLNMQF-IAGOWNOFSA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664741 775994880 /nfs/dbraw/zinc/99/48/80/775994880.db2.gz OFZHLBKTFLNMQF-IAGOWNOFSA-N 2 1 349.475 0.328 20 30 ECEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489216 781619117 /nfs/dbraw/zinc/61/91/17/781619117.db2.gz QKULWBRFVYRMSE-BDFRZKONSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489216 781619124 /nfs/dbraw/zinc/61/91/24/781619124.db2.gz QKULWBRFVYRMSE-BDFRZKONSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489216 781619130 /nfs/dbraw/zinc/61/91/30/781619130.db2.gz QKULWBRFVYRMSE-BDFRZKONSA-N 2 1 331.460 0.960 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001070198248 783641429 /nfs/dbraw/zinc/64/14/29/783641429.db2.gz WHGFOKJOTMYFFI-HZMVEIRTSA-N 2 1 346.479 0.926 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258289 783756219 /nfs/dbraw/zinc/75/62/19/783756219.db2.gz NVQKYXBJMWFRBW-BBWFWOEESA-N 2 1 344.463 0.375 20 30 ECEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070367529 783902681 /nfs/dbraw/zinc/90/26/81/783902681.db2.gz ZJUDQHNLBMWJEX-NUJGCVRESA-N 2 1 348.491 0.742 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403390 783979717 /nfs/dbraw/zinc/97/97/17/783979717.db2.gz RJXLAHFLVIQSMH-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403390 783979723 /nfs/dbraw/zinc/97/97/23/783979723.db2.gz RJXLAHFLVIQSMH-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403390 783979729 /nfs/dbraw/zinc/97/97/29/783979729.db2.gz RJXLAHFLVIQSMH-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403390 783979739 /nfs/dbraw/zinc/97/97/39/783979739.db2.gz RJXLAHFLVIQSMH-ZBFHGGJFSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403387 783979921 /nfs/dbraw/zinc/97/99/21/783979921.db2.gz RJXLAHFLVIQSMH-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403387 783979930 /nfs/dbraw/zinc/97/99/30/783979930.db2.gz RJXLAHFLVIQSMH-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403387 783979939 /nfs/dbraw/zinc/97/99/39/783979939.db2.gz RJXLAHFLVIQSMH-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403387 783979945 /nfs/dbraw/zinc/97/99/45/783979945.db2.gz RJXLAHFLVIQSMH-GDBMZVCRSA-N 2 1 347.463 0.722 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C)C1 ZINC001070502272 784198448 /nfs/dbraw/zinc/19/84/48/784198448.db2.gz GRBGRRQUNSRORQ-JQHSSLGASA-N 2 1 341.459 0.588 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C)C1 ZINC001070502272 784198456 /nfs/dbraw/zinc/19/84/56/784198456.db2.gz GRBGRRQUNSRORQ-JQHSSLGASA-N 2 1 341.459 0.588 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC)C1 ZINC001070657839 784510273 /nfs/dbraw/zinc/51/02/73/784510273.db2.gz OABJTNKTRDOHMS-ZACQAIPSSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC)C1 ZINC001070657839 784510281 /nfs/dbraw/zinc/51/02/81/784510281.db2.gz OABJTNKTRDOHMS-ZACQAIPSSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CCCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277370 784923951 /nfs/dbraw/zinc/92/39/51/784923951.db2.gz SDZLAIJBTXMHES-IAGOWNOFSA-N 2 1 346.475 0.097 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815935 787250812 /nfs/dbraw/zinc/25/08/12/787250812.db2.gz PNWZICLSCQGLRM-KRWDZBQOSA-N 2 1 349.479 0.842 20 30 ECEDMP C=CCNC(=O)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267455407 837440604 /nfs/dbraw/zinc/44/06/04/837440604.db2.gz ZGGKWCXXXFAKQO-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266513598 835923754 /nfs/dbraw/zinc/92/37/54/835923754.db2.gz CZFPEPQKFWNMTF-MRXNPFEDSA-N 2 1 347.463 0.146 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266620390 836058111 /nfs/dbraw/zinc/05/81/11/836058111.db2.gz VOQCBJJSMMFNBM-KKUMJFAQSA-N 2 1 338.496 0.892 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266871126 836416583 /nfs/dbraw/zinc/41/65/83/836416583.db2.gz SZFCHXDGASSTOE-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#Cc1cccc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001266992913 836575392 /nfs/dbraw/zinc/57/53/92/836575392.db2.gz FRUYDYSFRZOQTJ-HOCLYGCPSA-N 2 1 342.443 0.652 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267302702 837167233 /nfs/dbraw/zinc/16/72/33/837167233.db2.gz GYCDQUXHYITZPU-DLBZAZTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302702 837167242 /nfs/dbraw/zinc/16/72/42/837167242.db2.gz GYCDQUXHYITZPU-DLBZAZTESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267302702 837167250 /nfs/dbraw/zinc/16/72/50/837167250.db2.gz GYCDQUXHYITZPU-DLBZAZTESA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001268041763 839185377 /nfs/dbraw/zinc/18/53/77/839185377.db2.gz DFUHUMDHJCPRMQ-CABCVRRESA-N 2 1 336.480 0.647 20 30 ECEDMP C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000331299938 289386052 /nfs/dbraw/zinc/38/60/52/289386052.db2.gz OYODYGUBZZBQDA-CABCVRRESA-N 2 1 325.501 0.999 20 30 ECEDMP CN(CCC#N)C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000092796440 436475920 /nfs/dbraw/zinc/47/59/20/436475920.db2.gz WPRPVUIKVBHYID-KRWDZBQOSA-N 2 1 335.496 0.850 20 30 ECEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303905404 437157882 /nfs/dbraw/zinc/15/78/82/437157882.db2.gz VNYIBXWWSVVZSW-ZDUSSCGKSA-N 2 1 325.457 0.806 20 30 ECEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329808716 437416715 /nfs/dbraw/zinc/41/67/15/437416715.db2.gz PMTRMBMBAJLFOY-HIFRSBDPSA-N 2 1 337.468 0.137 20 30 ECEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329808716 437416718 /nfs/dbraw/zinc/41/67/18/437416718.db2.gz PMTRMBMBAJLFOY-HIFRSBDPSA-N 2 1 337.468 0.137 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000343735968 437641300 /nfs/dbraw/zinc/64/13/00/437641300.db2.gz HCWIKBMVURWCAW-HNNXBMFYSA-N 2 1 336.480 0.601 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000343933391 437700323 /nfs/dbraw/zinc/70/03/23/437700323.db2.gz ZPUNPLCIAQBNRB-MRXNPFEDSA-N 2 1 336.480 0.744 20 30 ECEDMP CN1C[C@H]([NH+](C)CC#CC[N@H+](C)[C@@H]2CCC(=O)N(C)C2)CCC1=O ZINC000580212899 439073327 /nfs/dbraw/zinc/07/33/27/439073327.db2.gz ADVQZRHXIXAUJA-HZPDHXFCSA-N 2 1 334.464 0.095 20 30 ECEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878499 439149682 /nfs/dbraw/zinc/14/96/82/439149682.db2.gz XNDYARHIQMSSQZ-RDJZCZTQSA-N 2 1 325.453 0.446 20 30 ECEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878499 439149686 /nfs/dbraw/zinc/14/96/86/439149686.db2.gz XNDYARHIQMSSQZ-RDJZCZTQSA-N 2 1 325.453 0.446 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000490672287 439285422 /nfs/dbraw/zinc/28/54/22/439285422.db2.gz YKGHGYAXFYSNEB-UHFFFAOYSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000490672287 439285427 /nfs/dbraw/zinc/28/54/27/439285427.db2.gz YKGHGYAXFYSNEB-UHFFFAOYSA-N 2 1 334.508 0.816 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310007 548305234 /nfs/dbraw/zinc/30/52/34/548305234.db2.gz CHBKPNVVRPYKIT-QGZVFWFLSA-N 2 1 348.491 0.744 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000861503048 589856668 /nfs/dbraw/zinc/85/66/68/589856668.db2.gz QYLOHGXEPVEBPN-UHFFFAOYSA-N 2 1 344.415 0.178 20 30 ECEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000876744435 590408015 /nfs/dbraw/zinc/40/80/15/590408015.db2.gz SPNZCNSGINFKRX-RYRKJORJSA-N 2 1 340.427 0.724 20 30 ECEDMP C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000919875117 609664857 /nfs/dbraw/zinc/66/48/57/609664857.db2.gz OUWHODDWZRTHHS-CVEARBPZSA-N 2 1 325.478 0.489 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000928659836 611708738 /nfs/dbraw/zinc/70/87/38/611708738.db2.gz DEZZLQHAXRJABF-OAHLLOKOSA-N 2 1 335.448 0.475 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000928659836 611708740 /nfs/dbraw/zinc/70/87/40/611708740.db2.gz DEZZLQHAXRJABF-OAHLLOKOSA-N 2 1 335.448 0.475 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000938549573 609863995 /nfs/dbraw/zinc/86/39/95/609863995.db2.gz TXNNEFUABFGUTR-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000938549573 609863996 /nfs/dbraw/zinc/86/39/96/609863996.db2.gz TXNNEFUABFGUTR-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058431 610636588 /nfs/dbraw/zinc/63/65/88/610636588.db2.gz XTYCLRRAZGGNIJ-CVEARBPZSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408509 610722438 /nfs/dbraw/zinc/72/24/38/610722438.db2.gz JJDAIXPFVIIIFG-IAGOWNOFSA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408509 610722440 /nfs/dbraw/zinc/72/24/40/610722440.db2.gz JJDAIXPFVIIIFG-IAGOWNOFSA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408509 610722442 /nfs/dbraw/zinc/72/24/42/610722442.db2.gz JJDAIXPFVIIIFG-IAGOWNOFSA-N 2 1 332.492 0.875 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516604 610881680 /nfs/dbraw/zinc/88/16/80/610881680.db2.gz MHNZQCITPYVKQS-RDJZCZTQSA-N 2 1 331.464 0.908 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922341833 611347251 /nfs/dbraw/zinc/34/72/51/611347251.db2.gz UXWDULYRNVSJCW-KRWDZBQOSA-N 2 1 338.496 0.407 20 30 ECEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC000949061402 611835137 /nfs/dbraw/zinc/83/51/37/611835137.db2.gz YXMWMHPZPBHVLF-INIZCTEOSA-N 2 1 337.464 0.587 20 30 ECEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949061402 611835138 /nfs/dbraw/zinc/83/51/38/611835138.db2.gz YXMWMHPZPBHVLF-INIZCTEOSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950825617 611927275 /nfs/dbraw/zinc/92/72/75/611927275.db2.gz SWPXVMWLTOVQND-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950825617 611927277 /nfs/dbraw/zinc/92/72/77/611927277.db2.gz SWPXVMWLTOVQND-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000954630862 612468620 /nfs/dbraw/zinc/46/86/20/612468620.db2.gz MVRSSQJXXRQTAX-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000954630862 612468624 /nfs/dbraw/zinc/46/86/24/612468624.db2.gz MVRSSQJXXRQTAX-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000954630862 612468625 /nfs/dbraw/zinc/46/86/25/612468625.db2.gz MVRSSQJXXRQTAX-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000954630862 612468627 /nfs/dbraw/zinc/46/86/27/612468627.db2.gz MVRSSQJXXRQTAX-WBVHZDCISA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000954631334 612470615 /nfs/dbraw/zinc/47/06/15/612470615.db2.gz WXQQCMOOFUOGFV-KRWDZBQOSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000954631334 612470618 /nfs/dbraw/zinc/47/06/18/612470618.db2.gz WXQQCMOOFUOGFV-KRWDZBQOSA-N 2 1 346.475 0.095 20 30 ECEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561432 735505464 /nfs/dbraw/zinc/50/54/64/735505464.db2.gz CIBSWOOKCUOGSN-UHFFFAOYSA-N 2 1 337.464 0.017 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001024987567 738462017 /nfs/dbraw/zinc/46/20/17/738462017.db2.gz MPICTHFMEUBBQX-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001024987567 738462018 /nfs/dbraw/zinc/46/20/18/738462018.db2.gz MPICTHFMEUBBQX-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@@H](C)O)C3)C2)CC1 ZINC001041845001 782325849 /nfs/dbraw/zinc/32/58/49/782325849.db2.gz RHFVXACGFSJNQM-VQIMIIECSA-N 2 1 333.476 0.637 20 30 ECEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104291313 734004032 /nfs/dbraw/zinc/00/40/32/734004032.db2.gz LQWSEOYNHISDFV-KZNAEPCWSA-N 2 1 345.491 0.911 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059847281 751380799 /nfs/dbraw/zinc/38/07/99/751380799.db2.gz ONWVAAXXGUDTIL-SJORKVTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059847281 751380805 /nfs/dbraw/zinc/38/08/05/751380805.db2.gz ONWVAAXXGUDTIL-SJORKVTESA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](CCOC)CCO3)CC1 ZINC000972689465 737387214 /nfs/dbraw/zinc/38/72/14/737387214.db2.gz YMYCTCSYKGJABZ-LJQANCHMSA-N 2 1 349.475 0.281 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](CCOC)CCO3)CC1 ZINC000972689465 737387215 /nfs/dbraw/zinc/38/72/15/737387215.db2.gz YMYCTCSYKGJABZ-LJQANCHMSA-N 2 1 349.475 0.281 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318029 738289398 /nfs/dbraw/zinc/28/93/98/738289398.db2.gz PYAYNFGOYHFUJC-RCCFBDPRSA-N 2 1 347.503 0.929 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)CC1 ZINC001087413238 741926296 /nfs/dbraw/zinc/92/62/96/741926296.db2.gz AEYSFBXFNCEFQW-VJANTYMQSA-N 2 1 345.487 0.493 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC001026894245 742040501 /nfs/dbraw/zinc/04/05/01/742040501.db2.gz YNDVNTNYSQWJQP-IRXDYDNUSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC001026894245 742040503 /nfs/dbraw/zinc/04/05/03/742040503.db2.gz YNDVNTNYSQWJQP-IRXDYDNUSA-N 2 1 341.459 0.821 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001020512329 751736220 /nfs/dbraw/zinc/73/62/20/751736220.db2.gz WRMZRULLPJZFIZ-WOYTXXSLSA-N 2 1 348.491 0.740 20 30 ECEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261939980 742864524 /nfs/dbraw/zinc/86/45/24/742864524.db2.gz DHROCPKCHZVQOS-XNRPHZJLSA-N 2 1 326.510 0.892 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000997006388 743119614 /nfs/dbraw/zinc/11/96/14/743119614.db2.gz LXCOBIXSGDXQGI-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001029003218 743156909 /nfs/dbraw/zinc/15/69/09/743156909.db2.gz ITAJHTQKLFRUNS-OAHLLOKOSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001029003218 743156913 /nfs/dbraw/zinc/15/69/13/743156913.db2.gz ITAJHTQKLFRUNS-OAHLLOKOSA-N 2 1 344.463 0.098 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001029004329 743157907 /nfs/dbraw/zinc/15/79/07/743157907.db2.gz VQFYBCXXMCEXRD-CVEARBPZSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nc(C)no3)CC2)CC1 ZINC000997363486 743535319 /nfs/dbraw/zinc/53/53/19/743535319.db2.gz HFMSLBPCABJFOW-UHFFFAOYSA-N 2 1 345.447 0.804 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC001020586181 751845649 /nfs/dbraw/zinc/84/56/49/751845649.db2.gz HQOUPNMUUNEUDR-FPCVCCKLSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC000999391319 744671401 /nfs/dbraw/zinc/67/14/01/744671401.db2.gz KKRMZGRVUQDRTD-AEFFLSMTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC000999391319 744671404 /nfs/dbraw/zinc/67/14/04/744671404.db2.gz KKRMZGRVUQDRTD-AEFFLSMTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC000999846724 744939214 /nfs/dbraw/zinc/93/92/14/744939214.db2.gz FWIBNLPEIWSSOZ-HNNXBMFYSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988344 745144154 /nfs/dbraw/zinc/14/41/54/745144154.db2.gz UDEZLMLNQGAVHT-DJIMGWMZSA-N 2 1 344.463 0.505 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999988344 745144158 /nfs/dbraw/zinc/14/41/58/745144158.db2.gz UDEZLMLNQGAVHT-DJIMGWMZSA-N 2 1 344.463 0.505 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999988344 745144162 /nfs/dbraw/zinc/14/41/62/745144162.db2.gz UDEZLMLNQGAVHT-DJIMGWMZSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995253 745154546 /nfs/dbraw/zinc/15/45/46/745154546.db2.gz FUGBOXWKRQLYGX-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995253 745154547 /nfs/dbraw/zinc/15/45/47/745154547.db2.gz FUGBOXWKRQLYGX-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995253 745154548 /nfs/dbraw/zinc/15/45/48/745154548.db2.gz FUGBOXWKRQLYGX-HZPDHXFCSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000977921575 745650364 /nfs/dbraw/zinc/65/03/64/745650364.db2.gz TUKSFFYNGQGMFI-BBWFWOEESA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000977921575 745650369 /nfs/dbraw/zinc/65/03/69/745650369.db2.gz TUKSFFYNGQGMFI-BBWFWOEESA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21 ZINC000978277125 746138592 /nfs/dbraw/zinc/13/85/92/746138592.db2.gz AMFULEQMAJLJBU-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC000978277125 746138595 /nfs/dbraw/zinc/13/85/95/746138595.db2.gz AMFULEQMAJLJBU-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCOC3CCC3)C[C@H]21 ZINC000978277125 746138599 /nfs/dbraw/zinc/13/85/99/746138599.db2.gz AMFULEQMAJLJBU-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCOC3CCC3)C[C@H]21 ZINC000978277125 746138602 /nfs/dbraw/zinc/13/86/02/746138602.db2.gz AMFULEQMAJLJBU-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001001491292 746429337 /nfs/dbraw/zinc/42/93/37/746429337.db2.gz HBLAZZSURIJPKI-INIZCTEOSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001001491292 746429340 /nfs/dbraw/zinc/42/93/40/746429340.db2.gz HBLAZZSURIJPKI-INIZCTEOSA-N 2 1 334.464 0.000 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203442330 746430304 /nfs/dbraw/zinc/43/03/04/746430304.db2.gz JCGQZNFBMMXNRP-HNNXBMFYSA-N 2 1 338.496 0.990 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001001493422 746431242 /nfs/dbraw/zinc/43/12/42/746431242.db2.gz LZYVTHOBSNTCPZ-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001001493422 746431247 /nfs/dbraw/zinc/43/12/47/746431247.db2.gz LZYVTHOBSNTCPZ-KRWDZBQOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C2)CC1 ZINC001027694426 746862952 /nfs/dbraw/zinc/86/29/52/746862952.db2.gz YEIRXVCXDYUVKN-GDBMZVCRSA-N 2 1 334.464 0.128 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(C)no3)C2)CC1 ZINC000985149733 747469365 /nfs/dbraw/zinc/46/93/65/747469365.db2.gz PIPJCUKACIQYMB-KOMQPUFPSA-N 2 1 345.447 0.708 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC000985476300 748218623 /nfs/dbraw/zinc/21/86/23/748218623.db2.gz QLSNRTWBTBFVHH-HOTGVXAUSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC000985476300 748218629 /nfs/dbraw/zinc/21/86/29/748218629.db2.gz QLSNRTWBTBFVHH-HOTGVXAUSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H](CC)C(N)=O)CC1 ZINC000985476300 748218634 /nfs/dbraw/zinc/21/86/34/748218634.db2.gz QLSNRTWBTBFVHH-HOTGVXAUSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H](CC)C(N)=O)CC1 ZINC000985476300 748218643 /nfs/dbraw/zinc/21/86/43/748218643.db2.gz QLSNRTWBTBFVHH-HOTGVXAUSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475447 752281685 /nfs/dbraw/zinc/28/16/85/752281685.db2.gz MWPSZHAIFCUPMV-YTQUADARSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475447 752281695 /nfs/dbraw/zinc/28/16/95/752281695.db2.gz MWPSZHAIFCUPMV-YTQUADARSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475447 752281699 /nfs/dbraw/zinc/28/16/99/752281699.db2.gz MWPSZHAIFCUPMV-YTQUADARSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475447 752281705 /nfs/dbraw/zinc/28/17/05/752281705.db2.gz MWPSZHAIFCUPMV-YTQUADARSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004460440 749528113 /nfs/dbraw/zinc/52/81/13/749528113.db2.gz ZHKNEHRDIWLJOH-IRXDYDNUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004460440 749528116 /nfs/dbraw/zinc/52/81/16/749528116.db2.gz ZHKNEHRDIWLJOH-IRXDYDNUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC(N)=O)CC1 ZINC001004460440 749528119 /nfs/dbraw/zinc/52/81/19/749528119.db2.gz ZHKNEHRDIWLJOH-IRXDYDNUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC(N)=O)CC1 ZINC001004460440 749528123 /nfs/dbraw/zinc/52/81/23/749528123.db2.gz ZHKNEHRDIWLJOH-IRXDYDNUSA-N 2 1 346.475 0.272 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccnn3C)C2)CC1 ZINC000980478741 749631843 /nfs/dbraw/zinc/63/18/43/749631843.db2.gz PCYIDLXYCHOXAL-QGZVFWFLSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccnn3C)C2)CC1 ZINC000980478741 749631848 /nfs/dbraw/zinc/63/18/48/749631848.db2.gz PCYIDLXYCHOXAL-QGZVFWFLSA-N 2 1 343.475 0.798 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001105347399 750310415 /nfs/dbraw/zinc/31/04/15/750310415.db2.gz COBJWEKTJGAUMT-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000988813174 752914276 /nfs/dbraw/zinc/91/42/76/752914276.db2.gz QXRGMDFWBNXUOD-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000988813174 752914283 /nfs/dbraw/zinc/91/42/83/752914283.db2.gz QXRGMDFWBNXUOD-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000988813174 752914288 /nfs/dbraw/zinc/91/42/88/752914288.db2.gz QXRGMDFWBNXUOD-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000988813174 752914289 /nfs/dbraw/zinc/91/42/89/752914289.db2.gz QXRGMDFWBNXUOD-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168344921 754760480 /nfs/dbraw/zinc/76/04/80/754760480.db2.gz FKPVMLMYPIFPNK-HNNXBMFYSA-N 2 1 349.479 0.377 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCn3cncn3)C2)CC1 ZINC001009631407 755094139 /nfs/dbraw/zinc/09/41/39/755094139.db2.gz YBWTWAFZPCGNBZ-QGZVFWFLSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105669296 755671120 /nfs/dbraw/zinc/67/11/20/755671120.db2.gz QQBQZIMJFKEZLT-RWQQGDIJSA-N 2 1 335.492 0.928 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001076589859 756697053 /nfs/dbraw/zinc/69/70/53/756697053.db2.gz QIULSEJCZVDSKS-RDJZCZTQSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088835610 756956428 /nfs/dbraw/zinc/95/64/28/756956428.db2.gz FHQXTWFWTCIEEJ-PVAVHDDUSA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088835610 756956432 /nfs/dbraw/zinc/95/64/32/756956432.db2.gz FHQXTWFWTCIEEJ-PVAVHDDUSA-N 2 1 348.491 0.694 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]2C1 ZINC001048868801 757234280 /nfs/dbraw/zinc/23/42/80/757234280.db2.gz OBHILGAQRMFWET-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2C1 ZINC001048868801 757234286 /nfs/dbraw/zinc/23/42/86/757234286.db2.gz OBHILGAQRMFWET-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2C1 ZINC001048868801 757234290 /nfs/dbraw/zinc/23/42/90/757234290.db2.gz OBHILGAQRMFWET-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3conc3C)C[C@@H]2C1 ZINC001048868801 757234297 /nfs/dbraw/zinc/23/42/97/757234297.db2.gz OBHILGAQRMFWET-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]3C2)C1=O ZINC001049065474 757856598 /nfs/dbraw/zinc/85/65/98/757856598.db2.gz TWDJYTDELDCNOM-VVLHAWIVSA-N 2 1 348.491 0.504 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051660305 762619064 /nfs/dbraw/zinc/61/90/64/762619064.db2.gz QPSNERYTPJIMIJ-MSOLQXFVSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051660305 762619066 /nfs/dbraw/zinc/61/90/66/762619066.db2.gz QPSNERYTPJIMIJ-MSOLQXFVSA-N 2 1 349.475 0.328 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001047633924 759358395 /nfs/dbraw/zinc/35/83/95/759358395.db2.gz RVZLFDBJHHBOJM-HRCADAONSA-N 2 1 325.453 0.177 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001047633924 759358405 /nfs/dbraw/zinc/35/84/05/759358405.db2.gz RVZLFDBJHHBOJM-HRCADAONSA-N 2 1 325.453 0.177 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047633924 759358417 /nfs/dbraw/zinc/35/84/17/759358417.db2.gz RVZLFDBJHHBOJM-HRCADAONSA-N 2 1 325.453 0.177 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047633924 759358429 /nfs/dbraw/zinc/35/84/29/759358429.db2.gz RVZLFDBJHHBOJM-HRCADAONSA-N 2 1 325.453 0.177 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2O)CC1 ZINC001047638118 759372431 /nfs/dbraw/zinc/37/24/31/759372431.db2.gz CETSPCMZYNRBGD-SZMVWBNQSA-N 2 1 335.492 0.881 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001054297516 767906943 /nfs/dbraw/zinc/90/69/43/767906943.db2.gz UILPGVQUBCBARQ-ZACQAIPSSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995924613 760786244 /nfs/dbraw/zinc/78/62/44/760786244.db2.gz QHXRVJBXKYWSEY-IRXDYDNUSA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995924613 760786252 /nfs/dbraw/zinc/78/62/52/760786252.db2.gz QHXRVJBXKYWSEY-IRXDYDNUSA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995925290 760787935 /nfs/dbraw/zinc/78/79/35/760787935.db2.gz REIMPKBSAVXHCA-IRXDYDNUSA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995925290 760787943 /nfs/dbraw/zinc/78/79/43/760787943.db2.gz REIMPKBSAVXHCA-IRXDYDNUSA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106266420 768035355 /nfs/dbraw/zinc/03/53/55/768035355.db2.gz IVYJGODHSABVRA-ZACQAIPSSA-N 2 1 344.463 0.060 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106266420 768035358 /nfs/dbraw/zinc/03/53/58/768035358.db2.gz IVYJGODHSABVRA-ZACQAIPSSA-N 2 1 344.463 0.060 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127680270 763328574 /nfs/dbraw/zinc/32/85/74/763328574.db2.gz UWWGPPRHRRTBSL-KGLIPLIRSA-N 2 1 333.436 0.240 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052093038 763834629 /nfs/dbraw/zinc/83/46/29/763834629.db2.gz IZWVPZMOSVYODA-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001168416678 764315536 /nfs/dbraw/zinc/31/55/36/764315536.db2.gz BDGIUMOVPHNFFD-UHFFFAOYSA-N 2 1 347.434 0.995 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)CC2)CC1 ZINC001052957487 765412721 /nfs/dbraw/zinc/41/27/21/765412721.db2.gz FRSXXYGYNJRIEV-KRWDZBQOSA-N 2 1 348.491 0.391 20 30 ECEDMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1)[NH+](C)C ZINC001052989822 765467965 /nfs/dbraw/zinc/46/79/65/765467965.db2.gz YWHNWJJTQBXPKH-FGTMMUONSA-N 2 1 347.507 0.990 20 30 ECEDMP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1)[NH+](C)C ZINC001052993108 765471857 /nfs/dbraw/zinc/47/18/57/765471857.db2.gz YWHNWJJTQBXPKH-KSZLIROESA-N 2 1 347.507 0.990 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112212 765929598 /nfs/dbraw/zinc/92/95/98/765929598.db2.gz YKNYIDSHFRDKGO-BRWVUGGUSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001016335242 766138880 /nfs/dbraw/zinc/13/88/80/766138880.db2.gz CGLAQMXJAKLRFB-QGZVFWFLSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001016335242 766138884 /nfs/dbraw/zinc/13/88/84/766138884.db2.gz CGLAQMXJAKLRFB-QGZVFWFLSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338029 766145766 /nfs/dbraw/zinc/14/57/66/766145766.db2.gz VEBRWLIAVSTWIO-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(CC)C3=O)C2)CC1 ZINC001016338029 766145770 /nfs/dbraw/zinc/14/57/70/766145770.db2.gz VEBRWLIAVSTWIO-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046012680 766640070 /nfs/dbraw/zinc/64/00/70/766640070.db2.gz BECWBSALECUSAY-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046012680 766640074 /nfs/dbraw/zinc/64/00/74/766640074.db2.gz BECWBSALECUSAY-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012680 766640078 /nfs/dbraw/zinc/64/00/78/766640078.db2.gz BECWBSALECUSAY-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012680 766640083 /nfs/dbraw/zinc/64/00/83/766640083.db2.gz BECWBSALECUSAY-IAGOWNOFSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035077 766717401 /nfs/dbraw/zinc/71/74/01/766717401.db2.gz CWJAJTWDFCURQB-ZWKOTPCHSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001046036115 766723582 /nfs/dbraw/zinc/72/35/82/766723582.db2.gz AOSDBSFPKKXXNG-ROUUACIJSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001046036115 766723588 /nfs/dbraw/zinc/72/35/88/766723588.db2.gz AOSDBSFPKKXXNG-ROUUACIJSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC=C)C2)CC1 ZINC001046036115 766723595 /nfs/dbraw/zinc/72/35/95/766723595.db2.gz AOSDBSFPKKXXNG-ROUUACIJSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC=C)C2)CC1 ZINC001046036115 766723599 /nfs/dbraw/zinc/72/35/99/766723599.db2.gz AOSDBSFPKKXXNG-ROUUACIJSA-N 2 1 330.476 0.489 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512441 766750260 /nfs/dbraw/zinc/75/02/60/766750260.db2.gz SIKXRKHKQRCRAD-HKUYNNGSSA-N 2 1 333.476 0.827 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(=O)NC)CC3)CC1 ZINC000992513488 766752578 /nfs/dbraw/zinc/75/25/78/766752578.db2.gz VVMRNEDXQGXNIY-LPHOPBHVSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001046044459 766767874 /nfs/dbraw/zinc/76/78/74/766767874.db2.gz XLYPEPKWTTZPOT-GOSISDBHSA-N 2 1 337.427 0.800 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046059460 766823085 /nfs/dbraw/zinc/82/30/85/766823085.db2.gz HTIAWWJGQCIXEF-QZTJIDSGSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC001046074827 766890779 /nfs/dbraw/zinc/89/07/79/766890779.db2.gz HYZFSQOPDLKIEC-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106907946 767104973 /nfs/dbraw/zinc/10/49/73/767104973.db2.gz JRIRWNJZRQZJAS-OWCLPIDISA-N 2 1 336.480 0.150 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667866 768583274 /nfs/dbraw/zinc/58/32/74/768583274.db2.gz AGTWQKVNUPLXFV-HZPDHXFCSA-N 2 1 348.491 0.152 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055589215 769193094 /nfs/dbraw/zinc/19/30/94/769193094.db2.gz CKFLHMLFJQUUNL-AWEZNQCLSA-N 2 1 337.468 0.183 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001055590134 769195975 /nfs/dbraw/zinc/19/59/75/769195975.db2.gz DQOPZXRMYIMADJ-CJNGLKHVSA-N 2 1 349.479 0.183 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001055632213 769307605 /nfs/dbraw/zinc/30/76/05/769307605.db2.gz QTNBPYUOUUGPTH-CQSZACIVSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055645221 769335356 /nfs/dbraw/zinc/33/53/56/769335356.db2.gz ONLIZEBJDUCDJS-GJZGRUSLSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001018985849 770484299 /nfs/dbraw/zinc/48/42/99/770484299.db2.gz IODXRJWNJPPXGX-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001018985849 770484301 /nfs/dbraw/zinc/48/43/01/770484301.db2.gz IODXRJWNJPPXGX-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001018985977 770484532 /nfs/dbraw/zinc/48/45/32/770484532.db2.gz OYXZVRVFBCKCBG-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001018985977 770484534 /nfs/dbraw/zinc/48/45/34/770484534.db2.gz OYXZVRVFBCKCBG-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001020213967 772295734 /nfs/dbraw/zinc/29/57/34/772295734.db2.gz BYSWQOJGNYEXPN-LUKYLMHMSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664366 775993598 /nfs/dbraw/zinc/99/35/98/775993598.db2.gz FXWMTPHXLQOPMT-SJORKVTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664366 775993605 /nfs/dbraw/zinc/99/36/05/775993605.db2.gz FXWMTPHXLQOPMT-SJORKVTESA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685274 776040252 /nfs/dbraw/zinc/04/02/52/776040252.db2.gz GNKPTPOCBAEZAF-SJORKVTESA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685598 776041277 /nfs/dbraw/zinc/04/12/77/776041277.db2.gz JNUWQUKKKHYQHF-IAGOWNOFSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080009088 777221378 /nfs/dbraw/zinc/22/13/78/777221378.db2.gz PVTRQLBDWIPRID-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080009088 777221384 /nfs/dbraw/zinc/22/13/84/777221384.db2.gz PVTRQLBDWIPRID-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[NH+](C)CC)C1 ZINC001080009088 777221391 /nfs/dbraw/zinc/22/13/91/777221391.db2.gz PVTRQLBDWIPRID-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[NH+](C)CC)C1 ZINC001080009088 777221400 /nfs/dbraw/zinc/22/14/00/777221400.db2.gz PVTRQLBDWIPRID-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1 ZINC001080445690 777870024 /nfs/dbraw/zinc/87/00/24/777870024.db2.gz KBUTZCFTJRYUTA-INIZCTEOSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1 ZINC001080445690 777870031 /nfs/dbraw/zinc/87/00/31/777870031.db2.gz KBUTZCFTJRYUTA-INIZCTEOSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001080533425 777973571 /nfs/dbraw/zinc/97/35/71/777973571.db2.gz DVHAISFVUKQLAQ-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001080533425 777973580 /nfs/dbraw/zinc/97/35/80/777973580.db2.gz DVHAISFVUKQLAQ-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001080533425 777973588 /nfs/dbraw/zinc/97/35/88/777973588.db2.gz DVHAISFVUKQLAQ-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001080533425 777973596 /nfs/dbraw/zinc/97/35/96/777973596.db2.gz DVHAISFVUKQLAQ-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270205 780946217 /nfs/dbraw/zinc/94/62/17/780946217.db2.gz GVRDIFZNQODYKH-FGTMMUONSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489278 781618611 /nfs/dbraw/zinc/61/86/11/781618611.db2.gz SHEXQPYETFQGPN-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489278 781618617 /nfs/dbraw/zinc/61/86/17/781618617.db2.gz SHEXQPYETFQGPN-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489278 781618629 /nfs/dbraw/zinc/61/86/29/781618629.db2.gz SHEXQPYETFQGPN-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070273926 783778030 /nfs/dbraw/zinc/77/80/30/783778030.db2.gz KWFJCLMDEWUYBX-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001070411037 783999853 /nfs/dbraw/zinc/99/98/53/783999853.db2.gz AXTCAHHACCEOEW-IIAWOOMASA-N 2 1 329.448 0.789 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001070411037 783999857 /nfs/dbraw/zinc/99/98/57/783999857.db2.gz AXTCAHHACCEOEW-IIAWOOMASA-N 2 1 329.448 0.789 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001070411037 783999864 /nfs/dbraw/zinc/99/98/64/783999864.db2.gz AXTCAHHACCEOEW-IIAWOOMASA-N 2 1 329.448 0.789 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001070971576 784274225 /nfs/dbraw/zinc/27/42/25/784274225.db2.gz GXTGVVKRTDQGHL-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070971576 784274226 /nfs/dbraw/zinc/27/42/26/784274226.db2.gz GXTGVVKRTDQGHL-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001070971576 784274235 /nfs/dbraw/zinc/27/42/35/784274235.db2.gz GXTGVVKRTDQGHL-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001070971576 784274240 /nfs/dbraw/zinc/27/42/40/784274240.db2.gz GXTGVVKRTDQGHL-KRWDZBQOSA-N 2 1 348.491 0.535 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001070999870 784367762 /nfs/dbraw/zinc/36/77/62/784367762.db2.gz DENOAMCGMUWZGB-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001070999870 784367772 /nfs/dbraw/zinc/36/77/72/784367772.db2.gz DENOAMCGMUWZGB-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001070999870 784367781 /nfs/dbraw/zinc/36/77/81/784367781.db2.gz DENOAMCGMUWZGB-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001070999870 784367790 /nfs/dbraw/zinc/36/77/90/784367790.db2.gz DENOAMCGMUWZGB-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070599317 784413756 /nfs/dbraw/zinc/41/37/56/784413756.db2.gz TZVIEGTZFGZIBL-JYJNAYRXSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[NH+](C)C2)n1 ZINC001070599317 784413762 /nfs/dbraw/zinc/41/37/62/784413762.db2.gz TZVIEGTZFGZIBL-JYJNAYRXSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[NH+](C)C2)n1 ZINC001070599317 784413773 /nfs/dbraw/zinc/41/37/73/784413773.db2.gz TZVIEGTZFGZIBL-JYJNAYRXSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001070606236 784428200 /nfs/dbraw/zinc/42/82/00/784428200.db2.gz TZVIEGTZFGZIBL-HRCADAONSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[NH+](C)C2)n1 ZINC001070606236 784428207 /nfs/dbraw/zinc/42/82/07/784428207.db2.gz TZVIEGTZFGZIBL-HRCADAONSA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CC[NH+](C)C2)n1 ZINC001070606236 784428218 /nfs/dbraw/zinc/42/82/18/784428218.db2.gz TZVIEGTZFGZIBL-HRCADAONSA-N 2 1 345.447 0.496 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070629335 784460319 /nfs/dbraw/zinc/46/03/19/784460319.db2.gz GCJVNIJWOACMBL-OAGGEKHMSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C(C)C)C1 ZINC001070658034 784510801 /nfs/dbraw/zinc/51/08/01/784510801.db2.gz ZIIFRLNBRTZZKB-ZACQAIPSSA-N 2 1 343.475 0.810 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]C(C)C)C1 ZINC001070658034 784510809 /nfs/dbraw/zinc/51/08/09/784510809.db2.gz ZIIFRLNBRTZZKB-ZACQAIPSSA-N 2 1 343.475 0.810 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001070718815 784592687 /nfs/dbraw/zinc/59/26/87/784592687.db2.gz JZLCEMNZXUAVAQ-HUUCEWRRSA-N 2 1 328.420 0.695 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191631 784702000 /nfs/dbraw/zinc/70/20/00/784702000.db2.gz HSQVKWVXDAIPGH-SJLPKXTDSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191631 784702003 /nfs/dbraw/zinc/70/20/03/784702003.db2.gz HSQVKWVXDAIPGH-SJLPKXTDSA-N 2 1 330.432 0.907 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700668 786999962 /nfs/dbraw/zinc/99/99/62/786999962.db2.gz SXJXGIPYAXECHK-DHADLLTHSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700668 786999964 /nfs/dbraw/zinc/99/99/64/786999964.db2.gz SXJXGIPYAXECHK-DHADLLTHSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700668 786999969 /nfs/dbraw/zinc/99/99/69/786999969.db2.gz SXJXGIPYAXECHK-DHADLLTHSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740017 787091422 /nfs/dbraw/zinc/09/14/22/787091422.db2.gz AVSMTYGWBZITPJ-HZPDHXFCSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740017 787091428 /nfs/dbraw/zinc/09/14/28/787091428.db2.gz AVSMTYGWBZITPJ-HZPDHXFCSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740017 787091440 /nfs/dbraw/zinc/09/14/40/787091440.db2.gz AVSMTYGWBZITPJ-HZPDHXFCSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C)C1=O ZINC001074687839 787599240 /nfs/dbraw/zinc/59/92/40/787599240.db2.gz WZTFOVZEXQLYKD-XIRDDKMYSA-N 2 1 348.491 0.837 20 30 ECEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813495 788867942 /nfs/dbraw/zinc/86/79/42/788867942.db2.gz UGEZNXZEMCVROY-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813495 788867955 /nfs/dbraw/zinc/86/79/55/788867955.db2.gz UGEZNXZEMCVROY-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072851460 788962483 /nfs/dbraw/zinc/96/24/83/788962483.db2.gz WFZXRXOBAKOVTN-HZPDHXFCSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945062 790223004 /nfs/dbraw/zinc/22/30/04/790223004.db2.gz DENFMAVNRJMLJH-BBWFWOEESA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945062 790223007 /nfs/dbraw/zinc/22/30/07/790223007.db2.gz DENFMAVNRJMLJH-BBWFWOEESA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945062 790223010 /nfs/dbraw/zinc/22/30/10/790223010.db2.gz DENFMAVNRJMLJH-BBWFWOEESA-N 2 1 346.479 0.784 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945062 790223014 /nfs/dbraw/zinc/22/30/14/790223014.db2.gz DENFMAVNRJMLJH-BBWFWOEESA-N 2 1 346.479 0.784 20 30 ECEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001266285947 835621668 /nfs/dbraw/zinc/62/16/68/835621668.db2.gz SSIWMUQWSXWGTM-GOSISDBHSA-N 2 1 332.492 0.760 20 30 ECEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001266285947 835621671 /nfs/dbraw/zinc/62/16/71/835621671.db2.gz SSIWMUQWSXWGTM-GOSISDBHSA-N 2 1 332.492 0.760 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362411 835773065 /nfs/dbraw/zinc/77/30/65/835773065.db2.gz HJBCABDECDAFIW-OAHLLOKOSA-N 2 1 344.459 0.548 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362411 835773076 /nfs/dbraw/zinc/77/30/76/835773076.db2.gz HJBCABDECDAFIW-OAHLLOKOSA-N 2 1 344.459 0.548 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]Cc2ncnn2C)C2CC2)CC1 ZINC001266445785 835850261 /nfs/dbraw/zinc/85/02/61/835850261.db2.gz YQUVOAGZGJQJFQ-MRXNPFEDSA-N 2 1 344.463 0.145 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473147 835876098 /nfs/dbraw/zinc/87/60/98/835876098.db2.gz WTLAKZDFCLLPOU-MRXNPFEDSA-N 2 1 347.463 0.664 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473147 835876101 /nfs/dbraw/zinc/87/61/01/835876101.db2.gz WTLAKZDFCLLPOU-MRXNPFEDSA-N 2 1 347.463 0.664 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266551095 835975743 /nfs/dbraw/zinc/97/57/43/835975743.db2.gz LEUJMNJISKNRDW-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001266551095 835975753 /nfs/dbraw/zinc/97/57/53/835975753.db2.gz LEUJMNJISKNRDW-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001266551095 835975759 /nfs/dbraw/zinc/97/57/59/835975759.db2.gz LEUJMNJISKNRDW-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266685354 836139634 /nfs/dbraw/zinc/13/96/34/836139634.db2.gz DNBLVPVWRDMSTK-ARKGTOAJSA-N 2 1 336.480 0.644 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001266731095 836210911 /nfs/dbraw/zinc/21/09/11/836210911.db2.gz QXFSGNSRXHTIKW-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC001266870107 836414769 /nfs/dbraw/zinc/41/47/69/836414769.db2.gz GGDWBCPAOQQAQI-ZACQAIPSSA-N 2 1 337.464 0.062 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC001266870107 836414771 /nfs/dbraw/zinc/41/47/71/836414771.db2.gz GGDWBCPAOQQAQI-ZACQAIPSSA-N 2 1 337.464 0.062 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001266885630 836434117 /nfs/dbraw/zinc/43/41/17/836434117.db2.gz ZKZFBBUTOPEADZ-HNNXBMFYSA-N 2 1 333.436 0.464 20 30 ECEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267002557 836596952 /nfs/dbraw/zinc/59/69/52/836596952.db2.gz OKDXWSJRGRZOAE-INIZCTEOSA-N 2 1 338.496 0.847 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001267106292 836786927 /nfs/dbraw/zinc/78/69/27/836786927.db2.gz ULJAOGWHTILWEL-SFHVURJKSA-N 2 1 347.434 0.946 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001267106292 836786932 /nfs/dbraw/zinc/78/69/32/836786932.db2.gz ULJAOGWHTILWEL-SFHVURJKSA-N 2 1 347.434 0.946 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001267383191 837311158 /nfs/dbraw/zinc/31/11/58/837311158.db2.gz YJTGDFJSRVOTDX-KRWDZBQOSA-N 2 1 342.443 0.279 20 30 ECEDMP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767678 838505440 /nfs/dbraw/zinc/50/54/40/838505440.db2.gz QDLIWUSIGUUATI-GJZGRUSLSA-N 2 1 335.452 0.033 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267794638 838573938 /nfs/dbraw/zinc/57/39/38/838573938.db2.gz QFUNFLUOXFCLIE-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267794638 838573944 /nfs/dbraw/zinc/57/39/44/838573944.db2.gz QFUNFLUOXFCLIE-QGZVFWFLSA-N 2 1 348.491 0.535 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001267837250 838631102 /nfs/dbraw/zinc/63/11/02/838631102.db2.gz JROGVZUBGMRTEV-HUUCEWRRSA-N 2 1 336.480 0.647 20 30 ECEDMP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025765 839024887 /nfs/dbraw/zinc/02/48/87/839024887.db2.gz KOOATGZVPHRPHJ-IRXDYDNUSA-N 2 1 339.480 0.880 20 30 ECEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001268025765 839024900 /nfs/dbraw/zinc/02/49/00/839024900.db2.gz KOOATGZVPHRPHJ-IRXDYDNUSA-N 2 1 339.480 0.880 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1F ZINC000264082272 437015614 /nfs/dbraw/zinc/01/56/14/437015614.db2.gz HSMVTIKKVRUVSU-ZDUSSCGKSA-N 2 1 335.427 0.944 20 30 ECEDMP COCCNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264125697 437016525 /nfs/dbraw/zinc/01/65/25/437016525.db2.gz SFXMZGLJQQBZST-UHFFFAOYSA-N 2 1 333.436 0.125 20 30 ECEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264086180 437016736 /nfs/dbraw/zinc/01/67/36/437016736.db2.gz JHNJKYNYKCVARQ-HNNXBMFYSA-N 2 1 331.468 0.645 20 30 ECEDMP COC[C@@H](C)NC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264096023 437017698 /nfs/dbraw/zinc/01/76/98/437017698.db2.gz MSPDRXWLOBJUJG-OAHLLOKOSA-N 2 1 334.468 0.533 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1 ZINC000264074086 437014928 /nfs/dbraw/zinc/01/49/28/437014928.db2.gz GWPRLKNMHBMLEW-INIZCTEOSA-N 2 1 346.479 0.807 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000343762959 437649863 /nfs/dbraw/zinc/64/98/63/437649863.db2.gz JDTUXFSLIHWJFU-HOCLYGCPSA-N 2 1 336.480 0.694 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000343914350 437696113 /nfs/dbraw/zinc/69/61/13/437696113.db2.gz OUAJEFFSLLYLGD-UHFFFAOYSA-N 2 1 348.491 0.697 20 30 ECEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903131 438265834 /nfs/dbraw/zinc/26/58/34/438265834.db2.gz GYQZYPIGQPOKSY-QGZVFWFLSA-N 2 1 335.496 0.849 20 30 ECEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903131 438265838 /nfs/dbraw/zinc/26/58/38/438265838.db2.gz GYQZYPIGQPOKSY-QGZVFWFLSA-N 2 1 335.496 0.849 20 30 ECEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352766529 438471612 /nfs/dbraw/zinc/47/16/12/438471612.db2.gz CUVQXXSGXBNOSS-WMZOPIPTSA-N 2 1 337.512 0.999 20 30 ECEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352766527 438472642 /nfs/dbraw/zinc/47/26/42/438472642.db2.gz CUVQXXSGXBNOSS-FUHWJXTLSA-N 2 1 337.512 0.999 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1(C)C ZINC000567887441 439191310 /nfs/dbraw/zinc/19/13/10/439191310.db2.gz KRUWWAMEJKJPFO-UHFFFAOYSA-N 2 1 327.436 0.717 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000491677265 439425628 /nfs/dbraw/zinc/42/56/28/439425628.db2.gz XYGABNZTZPQNKG-UHFFFAOYSA-N 2 1 349.523 0.799 20 30 ECEDMP C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000644935779 440717850 /nfs/dbraw/zinc/71/78/50/440717850.db2.gz BZZRPGNESZGVQD-AWEZNQCLSA-N 2 1 347.467 0.432 20 30 ECEDMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)n1cnc(C#N)n1 ZINC000545273230 322108091 /nfs/dbraw/zinc/10/80/91/322108091.db2.gz RSFYLSNKLHDBNM-ZDUSSCGKSA-N 2 1 333.440 0.195 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000762740666 579547428 /nfs/dbraw/zinc/54/74/28/579547428.db2.gz GZRNSHUJPDFMIX-INIZCTEOSA-N 2 1 330.432 0.736 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000762740666 579547429 /nfs/dbraw/zinc/54/74/29/579547429.db2.gz GZRNSHUJPDFMIX-INIZCTEOSA-N 2 1 330.432 0.736 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669116 586963641 /nfs/dbraw/zinc/96/36/41/586963641.db2.gz QGQDMNSWDXBBFZ-UHFFFAOYSA-N 2 1 330.432 0.890 20 30 ECEDMP C#CCN1CCN(C(=O)CN2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000852695746 589506317 /nfs/dbraw/zinc/50/63/17/589506317.db2.gz NWLXZGMEBVXFCA-MRXNPFEDSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)CC1 ZINC000860188314 589751822 /nfs/dbraw/zinc/75/18/22/589751822.db2.gz LPLIQTXMRSBYBA-MUJYYYPQSA-N 2 1 335.448 0.426 20 30 ECEDMP C#CCN1CCN(C(=O)CN2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)CC1 ZINC000860188314 589751825 /nfs/dbraw/zinc/75/18/25/589751825.db2.gz LPLIQTXMRSBYBA-MUJYYYPQSA-N 2 1 335.448 0.426 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880500032 590398053 /nfs/dbraw/zinc/39/80/53/590398053.db2.gz SPMYVJLJEHQLJO-SJORKVTESA-N 2 1 333.476 0.947 20 30 ECEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000876744433 590407996 /nfs/dbraw/zinc/40/79/96/590407996.db2.gz SPNZCNSGINFKRX-JZXOWHBKSA-N 2 1 340.427 0.724 20 30 ECEDMP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756529 590409654 /nfs/dbraw/zinc/40/96/54/590409654.db2.gz UGNDLONUKOLOAJ-DOTOQJQBSA-N 2 1 328.416 0.582 20 30 ECEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756529 590409656 /nfs/dbraw/zinc/40/96/56/590409656.db2.gz UGNDLONUKOLOAJ-DOTOQJQBSA-N 2 1 328.416 0.582 20 30 ECEDMP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756531 590409798 /nfs/dbraw/zinc/40/97/98/590409798.db2.gz UGNDLONUKOLOAJ-RDJZCZTQSA-N 2 1 328.416 0.582 20 30 ECEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756531 590409800 /nfs/dbraw/zinc/40/98/00/590409800.db2.gz UGNDLONUKOLOAJ-RDJZCZTQSA-N 2 1 328.416 0.582 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccn(-c2ccccc2)n1 ZINC000104175884 591052942 /nfs/dbraw/zinc/05/29/42/591052942.db2.gz YBBMJGZEBOMQAM-UHFFFAOYSA-N 2 1 342.447 0.999 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000890370807 591153558 /nfs/dbraw/zinc/15/35/58/591153558.db2.gz GKKLLZWXYYAGBV-ZWKOTPCHSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370807 591153561 /nfs/dbraw/zinc/15/35/61/591153561.db2.gz GKKLLZWXYYAGBV-ZWKOTPCHSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370807 591153565 /nfs/dbraw/zinc/15/35/65/591153565.db2.gz GKKLLZWXYYAGBV-ZWKOTPCHSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370807 591153567 /nfs/dbraw/zinc/15/35/67/591153567.db2.gz GKKLLZWXYYAGBV-ZWKOTPCHSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000938173914 609486428 /nfs/dbraw/zinc/48/64/28/609486428.db2.gz ZTKLFWGPCLGATR-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000938173914 609486429 /nfs/dbraw/zinc/48/64/29/609486429.db2.gz ZTKLFWGPCLGATR-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000938173914 609486430 /nfs/dbraw/zinc/48/64/30/609486430.db2.gz ZTKLFWGPCLGATR-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000938173914 609486431 /nfs/dbraw/zinc/48/64/31/609486431.db2.gz ZTKLFWGPCLGATR-YESZJQIVSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCN(C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000920461740 609683315 /nfs/dbraw/zinc/68/33/15/609683315.db2.gz PEAFUFMHTRDJQO-KRWDZBQOSA-N 2 1 349.523 0.609 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[NH+](C(C)C)CC1)C1CC[NH+](C)CC1 ZINC000910887097 609773712 /nfs/dbraw/zinc/77/37/12/609773712.db2.gz ZFQAFTQLWOHCIB-UHFFFAOYSA-N 2 1 334.464 0.095 20 30 ECEDMP C[C@@H](CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912505687 609962674 /nfs/dbraw/zinc/96/26/74/609962674.db2.gz DMFPOZNALCSXFA-HNNXBMFYSA-N 2 1 327.517 0.993 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC000939809754 610136376 /nfs/dbraw/zinc/13/63/76/610136376.db2.gz JFFLNWTUYLXKSH-WMLDXEAASA-N 2 1 344.463 0.097 20 30 ECEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566321 610386116 /nfs/dbraw/zinc/38/61/16/610386116.db2.gz BNMBYFIYHUQHNJ-AEFFLSMTSA-N 2 1 334.508 0.979 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000950755043 611890747 /nfs/dbraw/zinc/89/07/47/611890747.db2.gz CAUBUMQVIKWJHL-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000950755043 611890750 /nfs/dbraw/zinc/89/07/50/611890750.db2.gz CAUBUMQVIKWJHL-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000950755043 611890752 /nfs/dbraw/zinc/89/07/52/611890752.db2.gz CAUBUMQVIKWJHL-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000950755043 611890755 /nfs/dbraw/zinc/89/07/55/611890755.db2.gz CAUBUMQVIKWJHL-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949512290 612016076 /nfs/dbraw/zinc/01/60/76/612016076.db2.gz VOWQAORFPZOBFV-UHFFFAOYSA-N 2 1 331.460 0.799 20 30 ECEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988299 734724295 /nfs/dbraw/zinc/72/42/95/734724295.db2.gz CGKUONFLQWJIIA-IDCNUPLLSA-N 2 1 348.491 0.149 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988299 734724297 /nfs/dbraw/zinc/72/42/97/734724297.db2.gz CGKUONFLQWJIIA-IDCNUPLLSA-N 2 1 348.491 0.149 20 30 ECEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566543 735835942 /nfs/dbraw/zinc/83/59/42/735835942.db2.gz BCISUUPTGXTYCQ-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566543 735835948 /nfs/dbraw/zinc/83/59/48/735835948.db2.gz BCISUUPTGXTYCQ-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566543 735835951 /nfs/dbraw/zinc/83/59/51/735835951.db2.gz BCISUUPTGXTYCQ-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566543 735835953 /nfs/dbraw/zinc/83/59/53/735835953.db2.gz BCISUUPTGXTYCQ-QGZVFWFLSA-N 2 1 339.480 0.569 20 30 ECEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972431886 736181815 /nfs/dbraw/zinc/18/18/15/736181815.db2.gz WKHWZFHQHBDUNA-NUJGCVRESA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431886 736181820 /nfs/dbraw/zinc/18/18/20/736181820.db2.gz WKHWZFHQHBDUNA-NUJGCVRESA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431886 736181823 /nfs/dbraw/zinc/18/18/23/736181823.db2.gz WKHWZFHQHBDUNA-NUJGCVRESA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431886 736181825 /nfs/dbraw/zinc/18/18/25/736181825.db2.gz WKHWZFHQHBDUNA-NUJGCVRESA-N 2 1 337.464 0.585 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csnn3)C2)CC1 ZINC001023128465 736523733 /nfs/dbraw/zinc/52/37/33/736523733.db2.gz GDSCMYODXVZDJW-OKILXGFUSA-N 2 1 333.461 0.620 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167733017 740551661 /nfs/dbraw/zinc/55/16/61/740551661.db2.gz RVPOVCZTMPOCAQ-CVEARBPZSA-N 2 1 348.491 0.342 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268519 741611438 /nfs/dbraw/zinc/61/14/38/741611438.db2.gz QTZIXFSMAZPBMM-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268519 741611440 /nfs/dbraw/zinc/61/14/40/741611440.db2.gz QTZIXFSMAZPBMM-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2CC)C1 ZINC001026893559 742038875 /nfs/dbraw/zinc/03/88/75/742038875.db2.gz KGLRSORWLXHXMR-WBVHZDCISA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2CC)C1 ZINC001026893559 742038881 /nfs/dbraw/zinc/03/88/81/742038881.db2.gz KGLRSORWLXHXMR-WBVHZDCISA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC001026894196 742040653 /nfs/dbraw/zinc/04/06/53/742040653.db2.gz XHNDXXBYAWHBEC-SJORKVTESA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC001026894196 742040658 /nfs/dbraw/zinc/04/06/58/742040658.db2.gz XHNDXXBYAWHBEC-SJORKVTESA-N 2 1 341.459 0.821 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934274 742902977 /nfs/dbraw/zinc/90/29/77/742902977.db2.gz XWJACZHJLFSPAT-CVEARBPZSA-N 2 1 346.475 0.307 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000997000376 743111940 /nfs/dbraw/zinc/11/19/40/743111940.db2.gz PSWHXWAYJRLASM-DOTOQJQBSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nonc3C)C2)CC1 ZINC001029002774 743158205 /nfs/dbraw/zinc/15/82/05/743158205.db2.gz YPFJFSZWRSJDLR-OAHLLOKOSA-N 2 1 345.447 0.661 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nonc3C)C2)CC1 ZINC001029002774 743158208 /nfs/dbraw/zinc/15/82/08/743158208.db2.gz YPFJFSZWRSJDLR-OAHLLOKOSA-N 2 1 345.447 0.661 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003507 743159235 /nfs/dbraw/zinc/15/92/35/743159235.db2.gz MUBPNDXHMWGMFN-IAGOWNOFSA-N 2 1 333.476 0.806 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000997148710 743288462 /nfs/dbraw/zinc/28/84/62/743288462.db2.gz IQLBLKNNLNDBRT-PVAVHDDUSA-N 2 1 346.475 0.189 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261621711 751833822 /nfs/dbraw/zinc/83/38/22/751833822.db2.gz BZFXSVVVDLKLMJ-ZWKOTPCHSA-N 2 1 348.539 0.512 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261651237 751924103 /nfs/dbraw/zinc/92/41/03/751924103.db2.gz FCEJRNCTYXSZLX-DLBZAZTESA-N 2 1 337.512 0.558 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261651237 751924104 /nfs/dbraw/zinc/92/41/04/751924104.db2.gz FCEJRNCTYXSZLX-DLBZAZTESA-N 3 1 337.512 0.558 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261651237 751924107 /nfs/dbraw/zinc/92/41/07/751924107.db2.gz FCEJRNCTYXSZLX-DLBZAZTESA-N 3 1 337.512 0.558 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999896299 745029956 /nfs/dbraw/zinc/02/99/56/745029956.db2.gz QMURBCXIPVJELQ-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999896299 745029967 /nfs/dbraw/zinc/02/99/67/745029967.db2.gz QMURBCXIPVJELQ-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000999896299 745029978 /nfs/dbraw/zinc/02/99/78/745029978.db2.gz QMURBCXIPVJELQ-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000999896299 745029983 /nfs/dbraw/zinc/02/99/83/745029983.db2.gz QMURBCXIPVJELQ-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999975916 745124723 /nfs/dbraw/zinc/12/47/23/745124723.db2.gz SFDXKVYICVFGPP-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999975916 745124727 /nfs/dbraw/zinc/12/47/27/745124727.db2.gz SFDXKVYICVFGPP-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975916 745124731 /nfs/dbraw/zinc/12/47/31/745124731.db2.gz SFDXKVYICVFGPP-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975916 745124734 /nfs/dbraw/zinc/12/47/34/745124734.db2.gz SFDXKVYICVFGPP-HOTGVXAUSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650285 745338426 /nfs/dbraw/zinc/33/84/26/745338426.db2.gz CHKQHIOXBGYUMF-GDBMZVCRSA-N 2 1 348.491 0.293 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)CC2(C)C)CC1 ZINC000977650285 745338428 /nfs/dbraw/zinc/33/84/28/745338428.db2.gz CHKQHIOXBGYUMF-GDBMZVCRSA-N 2 1 348.491 0.293 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969950 746762998 /nfs/dbraw/zinc/76/29/98/746762998.db2.gz WSRDRSJSNLVKND-SJORKVTESA-N 2 1 343.475 0.862 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC000979085035 747150832 /nfs/dbraw/zinc/15/08/32/747150832.db2.gz DXGQOAFYYGRIRH-LEUOFYLZSA-N 2 1 333.476 0.661 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000985332625 747723566 /nfs/dbraw/zinc/72/35/66/747723566.db2.gz RAEKDKARQZNEDN-IAGOWNOFSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000985332625 747723568 /nfs/dbraw/zinc/72/35/68/747723568.db2.gz RAEKDKARQZNEDN-IAGOWNOFSA-N 2 1 348.491 0.790 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC000985332625 747723574 /nfs/dbraw/zinc/72/35/74/747723574.db2.gz RAEKDKARQZNEDN-IAGOWNOFSA-N 2 1 348.491 0.790 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001003046751 748113759 /nfs/dbraw/zinc/11/37/59/748113759.db2.gz FFLSFJWXSXOPDW-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001003046751 748113764 /nfs/dbraw/zinc/11/37/64/748113764.db2.gz FFLSFJWXSXOPDW-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001003046751 748113771 /nfs/dbraw/zinc/11/37/71/748113771.db2.gz FFLSFJWXSXOPDW-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001003046751 748113775 /nfs/dbraw/zinc/11/37/75/748113775.db2.gz FFLSFJWXSXOPDW-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nonc2C)C1 ZINC001029757974 748269664 /nfs/dbraw/zinc/26/96/64/748269664.db2.gz NBBYNAHFNHQWBO-RDJZCZTQSA-N 2 1 345.447 0.756 20 30 ECEDMP CC#CCNCc1cn([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098734536 749159036 /nfs/dbraw/zinc/15/90/36/749159036.db2.gz VIQHXVVECLYMJQ-WBVHZDCISA-N 2 1 344.463 0.506 20 30 ECEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262803527 749829251 /nfs/dbraw/zinc/82/92/51/749829251.db2.gz RJKYFRSJIIGIHZ-CZUORRHYSA-N 2 1 341.525 0.600 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100900310 750024935 /nfs/dbraw/zinc/02/49/35/750024935.db2.gz ZZGNIVAOSVLEGD-FHERZECASA-N 2 1 336.480 0.341 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000981775249 751085335 /nfs/dbraw/zinc/08/53/35/751085335.db2.gz YVSPARJAMKZPDA-UHFFFAOYSA-N 2 1 329.448 0.616 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001020928781 752350134 /nfs/dbraw/zinc/35/01/34/752350134.db2.gz LXXPOQYDXBPKGS-KLHDSHLOSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC001021092111 752532875 /nfs/dbraw/zinc/53/28/75/752532875.db2.gz FZFKXILNVYNJEB-SHTZXODSSA-N 2 1 331.420 0.460 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nccc(C)n3)C2)CC1 ZINC001021093087 752533767 /nfs/dbraw/zinc/53/37/67/752533767.db2.gz YTPLWOMULJPSQF-QAQDUYKDSA-N 2 1 341.459 0.867 20 30 ECEDMP CC[NH+]=C(NCc1cnn(C)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261711048 752695392 /nfs/dbraw/zinc/69/53/92/752695392.db2.gz KBAXKXGWUGOAFD-OAHLLOKOSA-N 2 1 334.468 0.540 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCn3cncn3)CC2)CC1 ZINC000989734717 754365923 /nfs/dbraw/zinc/36/59/23/754365923.db2.gz ACUYVCBPVDMIJG-UHFFFAOYSA-N 2 1 344.463 0.158 20 30 ECEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000990569516 755420664 /nfs/dbraw/zinc/42/06/64/755420664.db2.gz GFTQXDUZYLAGCY-CYBMUJFWSA-N 2 1 346.269 0.806 20 30 ECEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000990569516 755420668 /nfs/dbraw/zinc/42/06/68/755420668.db2.gz GFTQXDUZYLAGCY-CYBMUJFWSA-N 2 1 346.269 0.806 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783181 758038815 /nfs/dbraw/zinc/03/88/15/758038815.db2.gz DMEYVBCZISGDAC-MSOLQXFVSA-N 2 1 329.444 0.589 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001021927990 758075158 /nfs/dbraw/zinc/07/51/58/758075158.db2.gz KTVKHBJOXHMUHF-ZOWXZIJZSA-N 2 1 334.445 0.687 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001021927990 758075169 /nfs/dbraw/zinc/07/51/69/758075169.db2.gz KTVKHBJOXHMUHF-ZOWXZIJZSA-N 2 1 334.445 0.687 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001022221283 758443173 /nfs/dbraw/zinc/44/31/73/758443173.db2.gz BVCXSDAYTJFGMG-YVSFHVDLSA-N 2 1 346.475 0.330 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001022221283 758443177 /nfs/dbraw/zinc/44/31/77/758443177.db2.gz BVCXSDAYTJFGMG-YVSFHVDLSA-N 2 1 346.475 0.330 20 30 ECEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779959 758630686 /nfs/dbraw/zinc/63/06/86/758630686.db2.gz UNLHECWMPXMEDL-NEPJUHHUSA-N 2 1 332.242 0.464 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779976 758630910 /nfs/dbraw/zinc/63/09/10/758630910.db2.gz UPZLRAQSEJYZGH-QZTJIDSGSA-N 2 1 345.418 0.746 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100336 759702294 /nfs/dbraw/zinc/70/22/94/759702294.db2.gz ZOTDXIIWZGLMQC-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100336 759702301 /nfs/dbraw/zinc/70/23/01/759702301.db2.gz ZOTDXIIWZGLMQC-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100336 759702309 /nfs/dbraw/zinc/70/23/09/759702309.db2.gz ZOTDXIIWZGLMQC-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)CC1 ZINC001050332635 760139519 /nfs/dbraw/zinc/13/95/19/760139519.db2.gz GMFUWIYDDJVWSP-ZOBUZTSGSA-N 2 1 345.447 0.932 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)CC1 ZINC001050332635 760139521 /nfs/dbraw/zinc/13/95/21/760139521.db2.gz GMFUWIYDDJVWSP-ZOBUZTSGSA-N 2 1 345.447 0.932 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203617 768022793 /nfs/dbraw/zinc/02/27/93/768022793.db2.gz PCTSZRZOFPHNDK-OAHLLOKOSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203617 768022797 /nfs/dbraw/zinc/02/27/97/768022797.db2.gz PCTSZRZOFPHNDK-OAHLLOKOSA-N 2 1 338.496 0.847 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777381 763109009 /nfs/dbraw/zinc/10/90/09/763109009.db2.gz URFXLCUIDNYZDM-YJBOKZPZSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777381 763109014 /nfs/dbraw/zinc/10/90/14/763109014.db2.gz URFXLCUIDNYZDM-YJBOKZPZSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777374 763109414 /nfs/dbraw/zinc/10/94/14/763109414.db2.gz URFXLCUIDNYZDM-MAUKXSAKSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001046777374 763109419 /nfs/dbraw/zinc/10/94/19/763109419.db2.gz URFXLCUIDNYZDM-MAUKXSAKSA-N 2 1 346.475 0.450 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027990 763624044 /nfs/dbraw/zinc/62/40/44/763624044.db2.gz MFVUCICPJRZXAG-RTBURBONSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001052040480 763662790 /nfs/dbraw/zinc/66/27/90/763662790.db2.gz AWOAQPIYOPNUAV-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001052040480 763662794 /nfs/dbraw/zinc/66/27/94/763662794.db2.gz AWOAQPIYOPNUAV-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052083928 763807036 /nfs/dbraw/zinc/80/70/36/763807036.db2.gz QZMRWNTYJZAPCL-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986877 764255611 /nfs/dbraw/zinc/25/56/11/764255611.db2.gz JOBYCTCWEZBIAJ-IIAWOOMASA-N 2 1 347.463 0.566 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766764 764564606 /nfs/dbraw/zinc/56/46/06/764564606.db2.gz GRBKBTUNSOOIOB-WBVHZDCISA-N 2 1 344.463 0.506 20 30 ECEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345236 768352641 /nfs/dbraw/zinc/35/26/41/768352641.db2.gz ZPSGPVGRFNIVEE-HNNXBMFYSA-N 2 1 334.464 0.096 20 30 ECEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555475 766402134 /nfs/dbraw/zinc/40/21/34/766402134.db2.gz QDFVUOAVLPPCOP-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001016531987 766450550 /nfs/dbraw/zinc/45/05/50/766450550.db2.gz ZLDYOACDQDVMQC-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1=O ZINC001031715709 766726870 /nfs/dbraw/zinc/72/68/70/766726870.db2.gz YNQXZBMMJHCSQY-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001031715709 766726877 /nfs/dbraw/zinc/72/68/77/766726877.db2.gz YNQXZBMMJHCSQY-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054639 766802601 /nfs/dbraw/zinc/80/26/01/766802601.db2.gz BAIKWWCUIREPRK-RTBURBONSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054639 766802604 /nfs/dbraw/zinc/80/26/04/766802604.db2.gz BAIKWWCUIREPRK-RTBURBONSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054639 766802613 /nfs/dbraw/zinc/80/26/13/766802613.db2.gz BAIKWWCUIREPRK-RTBURBONSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077257 766905897 /nfs/dbraw/zinc/90/58/97/766905897.db2.gz UEBHFVYJLVNQEH-KRWDZBQOSA-N 2 1 330.476 0.324 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001031742496 766998499 /nfs/dbraw/zinc/99/84/99/766998499.db2.gz HNAGMZTZBIDIRG-ROUUACIJSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001031742496 766998505 /nfs/dbraw/zinc/99/85/05/766998505.db2.gz HNAGMZTZBIDIRG-ROUUACIJSA-N 2 1 333.476 0.947 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596173 767350270 /nfs/dbraw/zinc/35/02/70/767350270.db2.gz VSEQDXUUSDXBFA-LPHOPBHVSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596203 767350414 /nfs/dbraw/zinc/35/04/14/767350414.db2.gz VSEQDXUUSDXBFA-VQIMIIECSA-N 2 1 348.491 0.696 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001018663713 769734255 /nfs/dbraw/zinc/73/42/55/769734255.db2.gz NGGXXQYRTXREGP-DOTOQJQBSA-N 2 1 346.406 0.718 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001018663713 769734265 /nfs/dbraw/zinc/73/42/65/769734265.db2.gz NGGXXQYRTXREGP-DOTOQJQBSA-N 2 1 346.406 0.718 20 30 ECEDMP N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)cc1 ZINC001019518433 771400119 /nfs/dbraw/zinc/40/01/19/771400119.db2.gz NXHQQKBGLRIVPA-SFHVURJKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cn(CC)nn3)C2)CC1 ZINC001019815952 771831687 /nfs/dbraw/zinc/83/16/87/771831687.db2.gz ORTVVEHZPGOHML-INIZCTEOSA-N 2 1 344.463 0.334 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001020174941 772243201 /nfs/dbraw/zinc/24/32/01/772243201.db2.gz ZUGUVGICROVSIO-QUSNUVHPSA-N 2 1 348.491 0.740 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC#C)CC2 ZINC001045672590 776012849 /nfs/dbraw/zinc/01/28/49/776012849.db2.gz GVOOALTXQFTRRR-ROUUACIJSA-N 2 1 343.471 0.705 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC#C)CC2 ZINC001045672590 776012857 /nfs/dbraw/zinc/01/28/57/776012857.db2.gz GVOOALTXQFTRRR-ROUUACIJSA-N 2 1 343.471 0.705 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192771 783626357 /nfs/dbraw/zinc/62/63/57/783626357.db2.gz OHJFISXUCNDBEV-PMPSAXMXSA-N 2 1 330.436 0.126 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070211630 783664967 /nfs/dbraw/zinc/66/49/67/783664967.db2.gz RYJCRNUGQDSIFA-PMPSAXMXSA-N 2 1 330.436 0.126 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001070211630 783664972 /nfs/dbraw/zinc/66/49/72/783664972.db2.gz RYJCRNUGQDSIFA-PMPSAXMXSA-N 2 1 330.436 0.126 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070402942 783975323 /nfs/dbraw/zinc/97/53/23/783975323.db2.gz IEJYKJVKEXXFQU-ZFWWWQNUSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070402942 783975331 /nfs/dbraw/zinc/97/53/31/783975331.db2.gz IEJYKJVKEXXFQU-ZFWWWQNUSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070402942 783975337 /nfs/dbraw/zinc/97/53/37/783975337.db2.gz IEJYKJVKEXXFQU-ZFWWWQNUSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070402942 783975348 /nfs/dbraw/zinc/97/53/48/783975348.db2.gz IEJYKJVKEXXFQU-ZFWWWQNUSA-N 2 1 333.436 0.332 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502287 784197904 /nfs/dbraw/zinc/19/79/04/784197904.db2.gz HTXBTLFCCXGBGU-XYJFISCASA-N 2 1 343.475 0.812 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070994993 784353055 /nfs/dbraw/zinc/35/30/55/784353055.db2.gz MEIAMZQXUYTTFW-UHFFFAOYSA-N 2 1 336.480 0.555 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001070648941 784495448 /nfs/dbraw/zinc/49/54/48/784495448.db2.gz FPYQDMBJEWVOKE-YLFCFFPRSA-N 2 1 343.475 0.668 20 30 ECEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001073851156 787361316 /nfs/dbraw/zinc/36/13/16/787361316.db2.gz WCCMNXAFPRMISW-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001073851156 787361325 /nfs/dbraw/zinc/36/13/25/787361325.db2.gz WCCMNXAFPRMISW-SFHVURJKSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924828 790195540 /nfs/dbraw/zinc/19/55/40/790195540.db2.gz HPQADUOAUZHHJS-ZACQAIPSSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924828 790195542 /nfs/dbraw/zinc/19/55/42/790195542.db2.gz HPQADUOAUZHHJS-ZACQAIPSSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924828 790195544 /nfs/dbraw/zinc/19/55/44/790195544.db2.gz HPQADUOAUZHHJS-ZACQAIPSSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924828 790195547 /nfs/dbraw/zinc/19/55/47/790195547.db2.gz HPQADUOAUZHHJS-ZACQAIPSSA-N 2 1 344.463 0.516 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267548371 837744725 /nfs/dbraw/zinc/74/47/25/837744725.db2.gz DPJQGDPZBCCVDV-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267548371 837744735 /nfs/dbraw/zinc/74/47/35/837744735.db2.gz DPJQGDPZBCCVDV-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267548371 837744741 /nfs/dbraw/zinc/74/47/41/837744741.db2.gz DPJQGDPZBCCVDV-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267548371 837744750 /nfs/dbraw/zinc/74/47/50/837744750.db2.gz DPJQGDPZBCCVDV-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266531148 835947472 /nfs/dbraw/zinc/94/74/72/835947472.db2.gz UOFFPTDLJFFAOH-HOCLYGCPSA-N 2 1 347.463 0.224 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611513 836045826 /nfs/dbraw/zinc/04/58/26/836045826.db2.gz MIRADBNYHRBBCP-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611513 836045839 /nfs/dbraw/zinc/04/58/39/836045839.db2.gz MIRADBNYHRBBCP-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611513 836045853 /nfs/dbraw/zinc/04/58/53/836045853.db2.gz MIRADBNYHRBBCP-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C2CC2)C1=O ZINC001266611513 836045864 /nfs/dbraw/zinc/04/58/64/836045864.db2.gz MIRADBNYHRBBCP-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)CC1 ZINC001266615208 836049853 /nfs/dbraw/zinc/04/98/53/836049853.db2.gz CKYPCLHHMKQKRK-UHFFFAOYSA-N 2 1 349.479 0.327 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)CC1 ZINC001266615208 836049865 /nfs/dbraw/zinc/04/98/65/836049865.db2.gz CKYPCLHHMKQKRK-UHFFFAOYSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cnc(C)cn1 ZINC001266728832 836207155 /nfs/dbraw/zinc/20/71/55/836207155.db2.gz NEPMWRQGKKDTNZ-WBVHZDCISA-N 2 1 329.448 0.992 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cnc(C)cn1 ZINC001266728832 836207163 /nfs/dbraw/zinc/20/71/63/836207163.db2.gz NEPMWRQGKKDTNZ-WBVHZDCISA-N 2 1 329.448 0.992 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC001266870104 836414791 /nfs/dbraw/zinc/41/47/91/836414791.db2.gz GGDWBCPAOQQAQI-BBWFWOEESA-N 2 1 337.464 0.062 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC001266870104 836414792 /nfs/dbraw/zinc/41/47/92/836414792.db2.gz GGDWBCPAOQQAQI-BBWFWOEESA-N 2 1 337.464 0.062 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897898 836448934 /nfs/dbraw/zinc/44/89/34/836448934.db2.gz QCPOAUGKCMBAPB-JKSUJKDBSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCc1ccnn1C)C1CC1 ZINC001267327410 837208031 /nfs/dbraw/zinc/20/80/31/837208031.db2.gz MQDVYBDEJZIHRT-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCc1ccnn1C)C1CC1 ZINC001267327410 837208044 /nfs/dbraw/zinc/20/80/44/837208044.db2.gz MQDVYBDEJZIHRT-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCc1ccnn1C)C1CC1 ZINC001267327410 837208049 /nfs/dbraw/zinc/20/80/49/837208049.db2.gz MQDVYBDEJZIHRT-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCc1ccnn1C)C1CC1 ZINC001267327410 837208064 /nfs/dbraw/zinc/20/80/64/837208064.db2.gz MQDVYBDEJZIHRT-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001267333116 837215434 /nfs/dbraw/zinc/21/54/34/837215434.db2.gz WPWJJOOLMNCGKP-QGZVFWFLSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CCNC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001267333116 837215440 /nfs/dbraw/zinc/21/54/40/837215440.db2.gz WPWJJOOLMNCGKP-QGZVFWFLSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267617703 838041586 /nfs/dbraw/zinc/04/15/86/838041586.db2.gz GIVJHYFLJYCBSZ-ROUUACIJSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267617703 838041594 /nfs/dbraw/zinc/04/15/94/838041594.db2.gz GIVJHYFLJYCBSZ-ROUUACIJSA-N 2 1 334.508 0.816 20 30 ECEDMP C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267638784 838115229 /nfs/dbraw/zinc/11/52/29/838115229.db2.gz RULVTZUPPWHHHU-JKSUJKDBSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267638784 838115235 /nfs/dbraw/zinc/11/52/35/838115235.db2.gz RULVTZUPPWHHHU-JKSUJKDBSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267638784 838115244 /nfs/dbraw/zinc/11/52/44/838115244.db2.gz RULVTZUPPWHHHU-JKSUJKDBSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267638784 838115253 /nfs/dbraw/zinc/11/52/53/838115253.db2.gz RULVTZUPPWHHHU-JKSUJKDBSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267638782 838115325 /nfs/dbraw/zinc/11/53/25/838115325.db2.gz RULVTZUPPWHHHU-HOTGVXAUSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267638782 838115332 /nfs/dbraw/zinc/11/53/32/838115332.db2.gz RULVTZUPPWHHHU-HOTGVXAUSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267638782 838115334 /nfs/dbraw/zinc/11/53/34/838115334.db2.gz RULVTZUPPWHHHU-HOTGVXAUSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267638782 838115342 /nfs/dbraw/zinc/11/53/42/838115342.db2.gz RULVTZUPPWHHHU-HOTGVXAUSA-N 2 1 325.453 0.300 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC)C2)CC1 ZINC001267707841 838311418 /nfs/dbraw/zinc/31/14/18/838311418.db2.gz IATNTZYZQKVSRK-MRXNPFEDSA-N 2 1 348.491 0.248 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267734862 838428633 /nfs/dbraw/zinc/42/86/33/838428633.db2.gz CFQCYAWJRGCCRR-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267734862 838428642 /nfs/dbraw/zinc/42/86/42/838428642.db2.gz CFQCYAWJRGCCRR-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP CC[N@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120653 436405990 /nfs/dbraw/zinc/40/59/90/436405990.db2.gz JZOANCYWCKWDAM-ZDUSSCGKSA-N 2 1 325.457 0.819 20 30 ECEDMP CC[N@@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120653 436405991 /nfs/dbraw/zinc/40/59/91/436405991.db2.gz JZOANCYWCKWDAM-ZDUSSCGKSA-N 2 1 325.457 0.819 20 30 ECEDMP C[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120488 436406390 /nfs/dbraw/zinc/40/63/90/436406390.db2.gz DPJJEZWPHPPVLD-ZIAGYGMSSA-N 2 1 337.468 0.819 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCOCC2)O1 ZINC000262129916 436909190 /nfs/dbraw/zinc/90/91/90/436909190.db2.gz KPCKSLHWNXCCJY-UONOGXRCSA-N 2 1 326.441 0.297 20 30 ECEDMP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000329228119 437336443 /nfs/dbraw/zinc/33/64/43/437336443.db2.gz AHWLFPHHXGRUBN-CVEARBPZSA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306199 437918206 /nfs/dbraw/zinc/91/82/06/437918206.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 2 1 335.496 0.847 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000359261595 438396842 /nfs/dbraw/zinc/39/68/42/438396842.db2.gz FSCPKIFSDSCWAE-HNNXBMFYSA-N 2 1 338.496 0.990 20 30 ECEDMP N#Cc1sccc1N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000595903866 438881152 /nfs/dbraw/zinc/88/11/52/438881152.db2.gz STEKZFRXKNDNLI-UHFFFAOYSA-N 2 1 333.461 0.564 20 30 ECEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000568871407 439284339 /nfs/dbraw/zinc/28/43/39/439284339.db2.gz PKIADLXBSVOFLR-KRWDZBQOSA-N 2 1 333.432 0.998 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)CC1 ZINC000569589313 439347172 /nfs/dbraw/zinc/34/71/72/439347172.db2.gz HHALDINDVJSZGX-UHFFFAOYSA-N 2 1 334.464 0.670 20 30 ECEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000491717459 439435843 /nfs/dbraw/zinc/43/58/43/439435843.db2.gz QSTUWQSIXUXEHJ-CQSZACIVSA-N 2 1 329.400 0.188 20 30 ECEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000491717459 439435846 /nfs/dbraw/zinc/43/58/46/439435846.db2.gz QSTUWQSIXUXEHJ-CQSZACIVSA-N 2 1 329.400 0.188 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1C#N ZINC000599337674 439439727 /nfs/dbraw/zinc/43/97/27/439439727.db2.gz DQEQXTADBMYERK-SFHVURJKSA-N 2 1 346.475 0.867 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000491815756 439457593 /nfs/dbraw/zinc/45/75/93/439457593.db2.gz LOAYYWSSVHUDEH-IRXDYDNUSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000491815756 439457598 /nfs/dbraw/zinc/45/75/98/439457598.db2.gz LOAYYWSSVHUDEH-IRXDYDNUSA-N 2 1 336.480 0.884 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)CC1 ZINC000584419594 439588924 /nfs/dbraw/zinc/58/89/24/439588924.db2.gz KNPFTNIEIWMQPO-QGZVFWFLSA-N 2 1 334.464 0.934 20 30 ECEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250353 439604958 /nfs/dbraw/zinc/60/49/58/439604958.db2.gz VZAZWVSGZUARIS-DLBZAZTESA-N 2 1 335.496 0.847 20 30 ECEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250353 439604962 /nfs/dbraw/zinc/60/49/62/439604962.db2.gz VZAZWVSGZUARIS-DLBZAZTESA-N 2 1 335.496 0.847 20 30 ECEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCOCC1 ZINC000600740622 439697495 /nfs/dbraw/zinc/69/74/95/439697495.db2.gz ZNRLDFPQEUZTCS-HZPDHXFCSA-N 2 1 325.453 0.494 20 30 ECEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000853798158 589559140 /nfs/dbraw/zinc/55/91/40/589559140.db2.gz CRQZFYBZNPHZOX-UHFFFAOYSA-N 2 1 339.465 0.501 20 30 ECEDMP C#CCN1CCN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000871786348 590087315 /nfs/dbraw/zinc/08/73/15/590087315.db2.gz YYUWWCCWLFMMBU-MQVJKMGUSA-N 2 1 347.463 0.135 20 30 ECEDMP C#CCN1CCN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000871786348 590087318 /nfs/dbraw/zinc/08/73/18/590087318.db2.gz YYUWWCCWLFMMBU-MQVJKMGUSA-N 2 1 347.463 0.135 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182718 590279170 /nfs/dbraw/zinc/27/91/70/590279170.db2.gz WNLMRPXTEXNBNG-ZBFHGGJFSA-N 2 1 334.464 0.306 20 30 ECEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000876725287 590403867 /nfs/dbraw/zinc/40/38/67/590403867.db2.gz ICJHHGQNHLWRNM-ZDUSSCGKSA-N 2 1 330.860 0.563 20 30 ECEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000884179341 590764263 /nfs/dbraw/zinc/76/42/63/590764263.db2.gz MAANPJHEBZLKME-BNQMIIOLSA-N 2 1 332.448 0.449 20 30 ECEDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884235025 590784430 /nfs/dbraw/zinc/78/44/30/590784430.db2.gz KYERADFXRZUJGS-FXQQTDPRSA-N 2 1 347.507 0.516 20 30 ECEDMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)C1 ZINC000884236273 590785712 /nfs/dbraw/zinc/78/57/12/590785712.db2.gz QEPWTCJUSIORGR-DHADLLTHSA-N 2 1 345.491 0.364 20 30 ECEDMP C#CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000929959336 611372549 /nfs/dbraw/zinc/37/25/49/611372549.db2.gz MFRKZWYAUAIUSL-CQSZACIVSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180945 611523900 /nfs/dbraw/zinc/52/39/00/611523900.db2.gz SONUGVFVSXWKNV-MLYOOKFZSA-N 2 1 347.503 0.928 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000948448941 611601153 /nfs/dbraw/zinc/60/11/53/611601153.db2.gz LQJJAYFXNLNKTO-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000948448941 611601154 /nfs/dbraw/zinc/60/11/54/611601154.db2.gz LQJJAYFXNLNKTO-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000948448941 611601156 /nfs/dbraw/zinc/60/11/56/611601156.db2.gz LQJJAYFXNLNKTO-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000948448941 611601157 /nfs/dbraw/zinc/60/11/57/611601157.db2.gz LQJJAYFXNLNKTO-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000924038238 608611963 /nfs/dbraw/zinc/61/19/63/608611963.db2.gz YXPLXSNXVNFTAT-DOTOQJQBSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038238 608611964 /nfs/dbraw/zinc/61/19/64/608611964.db2.gz YXPLXSNXVNFTAT-DOTOQJQBSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038238 608611965 /nfs/dbraw/zinc/61/19/65/608611965.db2.gz YXPLXSNXVNFTAT-DOTOQJQBSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038238 608611966 /nfs/dbraw/zinc/61/19/66/608611966.db2.gz YXPLXSNXVNFTAT-DOTOQJQBSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000937977448 609430084 /nfs/dbraw/zinc/43/00/84/609430084.db2.gz BCAQMIRMIZFXDW-SJORKVTESA-N 2 1 346.475 0.000 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000912998332 610029063 /nfs/dbraw/zinc/02/90/63/610029063.db2.gz FZZHQYYAJRXIFO-WCVJEAGWSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nncs3)C2)CC1 ZINC000939807724 610135832 /nfs/dbraw/zinc/13/58/32/610135832.db2.gz AAJNSWIBIPFSJJ-UKRRQHHQSA-N 2 1 347.488 0.820 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC(=C)C)C2)CC1 ZINC000941440550 610316649 /nfs/dbraw/zinc/31/66/49/610316649.db2.gz NBHXANYBNMRLGC-IBGZPJMESA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC(=C)C)C2)CC1 ZINC000941440550 610316651 /nfs/dbraw/zinc/31/66/51/610316651.db2.gz NBHXANYBNMRLGC-IBGZPJMESA-N 2 1 344.503 0.879 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636506 610422467 /nfs/dbraw/zinc/42/24/67/610422467.db2.gz OBFBCKYADUCGQS-MSOLQXFVSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908796 610428618 /nfs/dbraw/zinc/42/86/18/610428618.db2.gz PTOXZVNKDFTAPF-BWRBCVJASA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908796 610428620 /nfs/dbraw/zinc/42/86/20/610428620.db2.gz PTOXZVNKDFTAPF-BWRBCVJASA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000942433368 610458345 /nfs/dbraw/zinc/45/83/45/610458345.db2.gz AWHCZWHBNLFQJI-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000942433368 610458348 /nfs/dbraw/zinc/45/83/48/610458348.db2.gz AWHCZWHBNLFQJI-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000942433368 610458351 /nfs/dbraw/zinc/45/83/51/610458351.db2.gz AWHCZWHBNLFQJI-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000942433368 610458353 /nfs/dbraw/zinc/45/83/53/610458353.db2.gz AWHCZWHBNLFQJI-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950076441 611858600 /nfs/dbraw/zinc/85/86/00/611858600.db2.gz DNQSLCNIHYNLHM-IAGOWNOFSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000954630783 612468535 /nfs/dbraw/zinc/46/85/35/612468535.db2.gz JKYHKQGLDRXKTC-DLBZAZTESA-N 2 1 346.475 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000954630783 612468536 /nfs/dbraw/zinc/46/85/36/612468536.db2.gz JKYHKQGLDRXKTC-DLBZAZTESA-N 2 1 346.475 0.093 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000970762043 733922497 /nfs/dbraw/zinc/92/24/97/733922497.db2.gz IPGKLVZXGUORBQ-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000970762043 733922499 /nfs/dbraw/zinc/92/24/99/733922499.db2.gz IPGKLVZXGUORBQ-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2O)CC1 ZINC001078227215 782523297 /nfs/dbraw/zinc/52/32/97/782523297.db2.gz OJWVJPALQSEJJU-QZTJIDSGSA-N 2 1 333.476 0.683 20 30 ECEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520760 736550081 /nfs/dbraw/zinc/55/00/81/736550081.db2.gz SXAQLSJPSPKEHV-HKUYNNGSSA-N 2 1 349.475 0.422 20 30 ECEDMP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520760 736550083 /nfs/dbraw/zinc/55/00/83/736550083.db2.gz SXAQLSJPSPKEHV-HKUYNNGSSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001023759294 737319795 /nfs/dbraw/zinc/31/97/95/737319795.db2.gz FCNVHDLJCFPDGY-JKSUJKDBSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001023759497 737319962 /nfs/dbraw/zinc/31/99/62/737319962.db2.gz GLHQUTLZMBXWGQ-NVXWUHKLSA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001006443532 751390054 /nfs/dbraw/zinc/39/00/54/751390054.db2.gz GCBZNSMWNMJFCT-AWEZNQCLSA-N 2 1 334.464 0.128 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001025814020 739996395 /nfs/dbraw/zinc/99/63/95/739996395.db2.gz BSKSDPQVCHIBLI-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001025814020 739996397 /nfs/dbraw/zinc/99/63/97/739996397.db2.gz BSKSDPQVCHIBLI-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001025814020 739996399 /nfs/dbraw/zinc/99/63/99/739996399.db2.gz BSKSDPQVCHIBLI-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]21 ZINC001025814020 739996401 /nfs/dbraw/zinc/99/64/01/739996401.db2.gz BSKSDPQVCHIBLI-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]21 ZINC001025814020 739996402 /nfs/dbraw/zinc/99/64/02/739996402.db2.gz BSKSDPQVCHIBLI-ZBRFXRBCSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000973967963 740690627 /nfs/dbraw/zinc/69/06/27/740690627.db2.gz WXDYMKDJVGJNSJ-BBWFWOEESA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104938606 740980574 /nfs/dbraw/zinc/98/05/74/740980574.db2.gz XKNZBEGZTGHRAT-HZPDHXFCSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCC=C)nn2)C1 ZINC001105262103 741588196 /nfs/dbraw/zinc/58/81/96/741588196.db2.gz HKNQVHXDRBQDGY-KRWDZBQOSA-N 2 1 342.447 0.425 20 30 ECEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951074 743089735 /nfs/dbraw/zinc/08/97/35/743089735.db2.gz HKDWVQDRFSQMQZ-CQSZACIVSA-N 2 1 344.525 0.803 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nonc3C)C2)CC1 ZINC001029002773 743158298 /nfs/dbraw/zinc/15/82/98/743158298.db2.gz YPFJFSZWRSJDLR-HNNXBMFYSA-N 2 1 345.447 0.661 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nonc3C)C2)CC1 ZINC001029002773 743158302 /nfs/dbraw/zinc/15/83/02/743158302.db2.gz YPFJFSZWRSJDLR-HNNXBMFYSA-N 2 1 345.447 0.661 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000997150053 743289544 /nfs/dbraw/zinc/28/95/44/743289544.db2.gz UCTVPRQTRFMJMH-PVAVHDDUSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000997150053 743289551 /nfs/dbraw/zinc/28/95/51/743289551.db2.gz UCTVPRQTRFMJMH-PVAVHDDUSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000997624559 743716899 /nfs/dbraw/zinc/71/68/99/743716899.db2.gz UCTVPRQTRFMJMH-UAGQMJEPSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000997624559 743716903 /nfs/dbraw/zinc/71/69/03/743716903.db2.gz UCTVPRQTRFMJMH-UAGQMJEPSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC000997624686 743717457 /nfs/dbraw/zinc/71/74/57/743717457.db2.gz XGBRRJANFNLZGI-UXLLHSPISA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC000997624686 743717461 /nfs/dbraw/zinc/71/74/61/743717461.db2.gz XGBRRJANFNLZGI-UXLLHSPISA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999390665 744670802 /nfs/dbraw/zinc/67/08/02/744670802.db2.gz GQXDMSZKOQTTHT-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999390665 744670804 /nfs/dbraw/zinc/67/08/04/744670804.db2.gz GQXDMSZKOQTTHT-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999391559 744671631 /nfs/dbraw/zinc/67/16/31/744671631.db2.gz LWZRWQLAZJIMBC-ROUUACIJSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999391559 744671633 /nfs/dbraw/zinc/67/16/33/744671633.db2.gz LWZRWQLAZJIMBC-ROUUACIJSA-N 2 1 343.475 0.907 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985617 745138340 /nfs/dbraw/zinc/13/83/40/745138340.db2.gz CGKOAYPAMXZNHK-IAGOWNOFSA-N 2 1 344.463 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)CC1 ZINC000977635927 745297532 /nfs/dbraw/zinc/29/75/32/745297532.db2.gz BHGANXFFAQVPJV-INIZCTEOSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)CC1 ZINC000977635927 745297534 /nfs/dbraw/zinc/29/75/34/745297534.db2.gz BHGANXFFAQVPJV-INIZCTEOSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000983906320 745487897 /nfs/dbraw/zinc/48/78/97/745487897.db2.gz SEPGJSPLWLQZSX-XIRDDKMYSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000977921586 745650477 /nfs/dbraw/zinc/65/04/77/745650477.db2.gz TUKSFFYNGQGMFI-ULQDDVLXSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000977921586 745650481 /nfs/dbraw/zinc/65/04/81/745650481.db2.gz TUKSFFYNGQGMFI-ULQDDVLXSA-N 2 1 348.491 0.484 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561682 746443351 /nfs/dbraw/zinc/44/33/51/746443351.db2.gz SPMOGNCXEFAZOQ-HSPZGVKFSA-N 2 1 331.460 0.720 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561682 746443355 /nfs/dbraw/zinc/44/33/55/746443355.db2.gz SPMOGNCXEFAZOQ-HSPZGVKFSA-N 2 1 331.460 0.720 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978561682 746443360 /nfs/dbraw/zinc/44/33/60/746443360.db2.gz SPMOGNCXEFAZOQ-HSPZGVKFSA-N 2 1 331.460 0.720 20 30 ECEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994257 746958050 /nfs/dbraw/zinc/95/80/50/746958050.db2.gz ZBJSKKYZSVKBJC-IXDOHACOSA-N 2 1 331.464 0.780 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994257 746958053 /nfs/dbraw/zinc/95/80/53/746958053.db2.gz ZBJSKKYZSVKBJC-IXDOHACOSA-N 2 1 331.464 0.780 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136081 747469398 /nfs/dbraw/zinc/46/93/98/747469398.db2.gz UMKZFLCZTQZKOR-AEFFLSMTSA-N 2 1 343.475 0.862 20 30 ECEDMP C#CCNCc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342381 747568248 /nfs/dbraw/zinc/56/82/48/747568248.db2.gz AGJSTCNXDSYEGH-NVXWUHKLSA-N 2 1 342.447 0.401 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCC(OCC2CC2)CC1 ZINC000261690367 752229816 /nfs/dbraw/zinc/22/98/16/752229816.db2.gz FBYRGFOAFLFWLK-INIZCTEOSA-N 2 1 337.512 0.699 20 30 ECEDMP CN(C)C(=O)CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000303462822 748074750 /nfs/dbraw/zinc/07/47/50/748074750.db2.gz BKSIQEGXSXKBEG-UHFFFAOYSA-N 2 1 327.473 0.131 20 30 ECEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000305049191 748291541 /nfs/dbraw/zinc/29/15/41/748291541.db2.gz ZPVWACWUUNAEHJ-MRXNPFEDSA-N 2 1 325.501 0.591 20 30 ECEDMP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000305049191 748291542 /nfs/dbraw/zinc/29/15/42/748291542.db2.gz ZPVWACWUUNAEHJ-MRXNPFEDSA-N 3 1 325.501 0.591 20 30 ECEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000305049191 748291543 /nfs/dbraw/zinc/29/15/43/748291543.db2.gz ZPVWACWUUNAEHJ-MRXNPFEDSA-N 3 1 325.501 0.591 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC001003628976 748742149 /nfs/dbraw/zinc/74/21/49/748742149.db2.gz VRXBOWIDRICGGN-WBVHZDCISA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350309 748871513 /nfs/dbraw/zinc/87/15/13/748871513.db2.gz UJJFGNNXEDUVGL-DHADLLTHSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)CC1 ZINC000980477210 749628738 /nfs/dbraw/zinc/62/87/38/749628738.db2.gz CYRYDXIZJWNFAL-GOSISDBHSA-N 2 1 343.475 0.761 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168145919 749700668 /nfs/dbraw/zinc/70/06/68/749700668.db2.gz BCYSGLCQAIRYKH-CABCVRRESA-N 2 1 336.480 0.505 20 30 ECEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742882 750581782 /nfs/dbraw/zinc/58/17/82/750581782.db2.gz WXXYORZBIOPUSY-RMXPPQQLSA-N 2 1 331.460 0.796 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nncn3C)[C@H]2C)CC1 ZINC000987578918 750980874 /nfs/dbraw/zinc/98/08/74/750980874.db2.gz YXESDFKRFSYTSS-GDBMZVCRSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)[C@H]2C)CC1 ZINC000987578949 750980958 /nfs/dbraw/zinc/98/09/58/750980958.db2.gz ZBGAHADGGSCFHK-NVXWUHKLSA-N 2 1 341.459 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCn2cccn2)CC1 ZINC001028333445 752402096 /nfs/dbraw/zinc/40/20/96/752402096.db2.gz LGITVQCMDMPLOK-GOSISDBHSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](CC)C(N)=O)CC1 ZINC001028334054 752413829 /nfs/dbraw/zinc/41/38/29/752413829.db2.gz VLDWYHGZRGAYMF-HZPDHXFCSA-N 2 1 334.464 0.176 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465779 752756615 /nfs/dbraw/zinc/75/66/15/752756615.db2.gz MZLKGNAUMGSNTA-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465779 752756621 /nfs/dbraw/zinc/75/66/21/752756621.db2.gz MZLKGNAUMGSNTA-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465779 752756625 /nfs/dbraw/zinc/75/66/25/752756625.db2.gz MZLKGNAUMGSNTA-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465779 752756630 /nfs/dbraw/zinc/75/66/30/752756630.db2.gz MZLKGNAUMGSNTA-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406498 753709844 /nfs/dbraw/zinc/70/98/44/753709844.db2.gz ORFIHEWPQSIZSW-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406498 753709847 /nfs/dbraw/zinc/70/98/47/753709847.db2.gz ORFIHEWPQSIZSW-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC000989828691 754497543 /nfs/dbraw/zinc/49/75/43/754497543.db2.gz HSHQOEAHNXZWQZ-GDBMZVCRSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)n3)C[C@@H]2C)CC1 ZINC000989828692 754497609 /nfs/dbraw/zinc/49/76/09/754497609.db2.gz HSHQOEAHNXZWQZ-GOEBONIOSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088835609 756956825 /nfs/dbraw/zinc/95/68/25/756956825.db2.gz FHQXTWFWTCIEEJ-HYVNUMGLSA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088835609 756956830 /nfs/dbraw/zinc/95/68/30/756956830.db2.gz FHQXTWFWTCIEEJ-HYVNUMGLSA-N 2 1 348.491 0.694 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048824643 757115451 /nfs/dbraw/zinc/11/54/51/757115451.db2.gz HYOJGGVICKFCOI-IYBDPMFKSA-N 2 1 329.448 0.472 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833673 757139151 /nfs/dbraw/zinc/13/91/51/757139151.db2.gz RRQTZZHAGOAPNQ-FZKCQIBNSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833673 757139155 /nfs/dbraw/zinc/13/91/55/757139155.db2.gz RRQTZZHAGOAPNQ-FZKCQIBNSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833673 757139158 /nfs/dbraw/zinc/13/91/58/757139158.db2.gz RRQTZZHAGOAPNQ-FZKCQIBNSA-N 2 1 339.867 0.992 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000996608848 758215660 /nfs/dbraw/zinc/21/56/60/758215660.db2.gz TXLAITGHNWDHGD-OIISXLGYSA-N 2 1 348.491 0.694 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001022220818 758441828 /nfs/dbraw/zinc/44/18/28/758441828.db2.gz RJIPAOOVAVMNBZ-BBWFWOEESA-N 2 1 344.463 0.229 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001022220818 758441832 /nfs/dbraw/zinc/44/18/32/758441832.db2.gz RJIPAOOVAVMNBZ-BBWFWOEESA-N 2 1 344.463 0.229 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001050048364 759614709 /nfs/dbraw/zinc/61/47/09/759614709.db2.gz UELPLGVVWQKUFT-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001050208203 759942383 /nfs/dbraw/zinc/94/23/83/759942383.db2.gz GQCJKXSVDLDIDV-RYQLBKOJSA-N 2 1 333.476 0.635 20 30 ECEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245976 768010556 /nfs/dbraw/zinc/01/05/56/768010556.db2.gz IBLSYEFASOZTCS-BRWVUGGUSA-N 2 1 331.464 0.521 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106266379 768035377 /nfs/dbraw/zinc/03/53/77/768035377.db2.gz HEGXCNKHJZYDSZ-INMHGKMJSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106266379 768035381 /nfs/dbraw/zinc/03/53/81/768035381.db2.gz HEGXCNKHJZYDSZ-INMHGKMJSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271327 768041433 /nfs/dbraw/zinc/04/14/33/768041433.db2.gz BEQZNPQOOZHPQY-BRWVUGGUSA-N 2 1 348.491 0.294 20 30 ECEDMP CC#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001098784147 768108142 /nfs/dbraw/zinc/10/81/42/768108142.db2.gz AGGBBIUTVPDVSW-INIZCTEOSA-N 2 1 332.452 0.505 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052031458 763632359 /nfs/dbraw/zinc/63/23/59/763632359.db2.gz OMLHMAOECAQLEM-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031458 763632366 /nfs/dbraw/zinc/63/23/66/763632366.db2.gz OMLHMAOECAQLEM-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044738 763680289 /nfs/dbraw/zinc/68/02/89/763680289.db2.gz LDGARJQHGXWWQH-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068657 763763549 /nfs/dbraw/zinc/76/35/49/763763549.db2.gz MBAUWIQWTDMABE-MOPGFXCFSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068657 763763553 /nfs/dbraw/zinc/76/35/53/763763553.db2.gz MBAUWIQWTDMABE-MOPGFXCFSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107557 763886886 /nfs/dbraw/zinc/88/68/86/763886886.db2.gz FOICJRYJJQCSOU-QGZVFWFLSA-N 2 1 330.476 0.324 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001052122675 763947668 /nfs/dbraw/zinc/94/76/68/763947668.db2.gz YCQGGLVSQBQMHF-SFHVURJKSA-N 2 1 332.492 0.714 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777838 764106654 /nfs/dbraw/zinc/10/66/54/764106654.db2.gz OVLQLFNVZXZAQH-JKIFEVAISA-N 2 1 327.444 0.936 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001052456976 764539855 /nfs/dbraw/zinc/53/98/55/764539855.db2.gz MNRQWHBBZWBPGK-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001052456976 764539863 /nfs/dbraw/zinc/53/98/63/764539863.db2.gz MNRQWHBBZWBPGK-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC001052456976 764539871 /nfs/dbraw/zinc/53/98/71/764539871.db2.gz MNRQWHBBZWBPGK-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC001052456976 764539880 /nfs/dbraw/zinc/53/98/80/764539880.db2.gz MNRQWHBBZWBPGK-AEFFLSMTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC001052959489 765416209 /nfs/dbraw/zinc/41/62/09/765416209.db2.gz VSDUOPZEQUCUAV-INIZCTEOSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCc3ccnn3C)C2)CC1 ZINC001016338057 766146009 /nfs/dbraw/zinc/14/60/09/766146009.db2.gz VWWSWBPFVBMHLF-QGZVFWFLSA-N 2 1 343.475 0.498 20 30 ECEDMP C=C(C)CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)O2 ZINC001053585745 766376394 /nfs/dbraw/zinc/37/63/94/766376394.db2.gz KIFWPNCZFBBITM-HZPDHXFCSA-N 2 1 337.464 0.633 20 30 ECEDMP C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001031682147 766450244 /nfs/dbraw/zinc/45/02/44/766450244.db2.gz WDKNVBJKRLXMMK-BMFZPTHFSA-N 2 1 334.464 0.162 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001031682147 766450248 /nfs/dbraw/zinc/45/02/48/766450248.db2.gz WDKNVBJKRLXMMK-BMFZPTHFSA-N 2 1 334.464 0.162 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001031682147 766450254 /nfs/dbraw/zinc/45/02/54/766450254.db2.gz WDKNVBJKRLXMMK-BMFZPTHFSA-N 2 1 334.464 0.162 20 30 ECEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254968 766606523 /nfs/dbraw/zinc/60/65/23/766606523.db2.gz GZQCZRBQHBTJQA-CVEARBPZSA-N 2 1 349.479 0.329 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031892 766702592 /nfs/dbraw/zinc/70/25/92/766702592.db2.gz BKXBNPIKODZYBN-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031892 766702600 /nfs/dbraw/zinc/70/26/00/766702600.db2.gz BKXBNPIKODZYBN-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031892 766702608 /nfs/dbraw/zinc/70/26/08/766702608.db2.gz BKXBNPIKODZYBN-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000994754644 766708690 /nfs/dbraw/zinc/70/86/90/766708690.db2.gz OEIZFCBYSYQHCY-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000994754644 766708695 /nfs/dbraw/zinc/70/86/95/766708695.db2.gz OEIZFCBYSYQHCY-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000994754644 766708700 /nfs/dbraw/zinc/70/87/00/766708700.db2.gz OEIZFCBYSYQHCY-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000994754644 766708705 /nfs/dbraw/zinc/70/87/05/766708705.db2.gz OEIZFCBYSYQHCY-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC001046035789 766722150 /nfs/dbraw/zinc/72/21/50/766722150.db2.gz SRMPLMDWDNITSY-RBUKOAKNSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035789 766722155 /nfs/dbraw/zinc/72/21/55/766722155.db2.gz SRMPLMDWDNITSY-RBUKOAKNSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC2)C1 ZINC001046035789 766722157 /nfs/dbraw/zinc/72/21/57/766722157.db2.gz SRMPLMDWDNITSY-RBUKOAKNSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001046036378 766727190 /nfs/dbraw/zinc/72/71/90/766727190.db2.gz INBKKCVGWIOUIV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001046036378 766727193 /nfs/dbraw/zinc/72/71/93/766727193.db2.gz INBKKCVGWIOUIV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001046036378 766727197 /nfs/dbraw/zinc/72/71/97/766727197.db2.gz INBKKCVGWIOUIV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC001046036378 766727200 /nfs/dbraw/zinc/72/72/00/766727200.db2.gz INBKKCVGWIOUIV-MSOLQXFVSA-N 2 1 332.492 0.711 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044581 766767425 /nfs/dbraw/zinc/76/74/25/766767425.db2.gz ZIGOFLCLTVOFPG-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046044581 766767435 /nfs/dbraw/zinc/76/74/35/766767435.db2.gz ZIGOFLCLTVOFPG-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293523 767173888 /nfs/dbraw/zinc/17/38/88/767173888.db2.gz VOTCHLLTVZLQSA-BRWVUGGUSA-N 2 1 337.464 0.346 20 30 ECEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578614 769174658 /nfs/dbraw/zinc/17/46/58/769174658.db2.gz QVNSPNJQMSGRHI-MRXNPFEDSA-N 2 1 348.491 0.438 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055632328 769306650 /nfs/dbraw/zinc/30/66/50/769306650.db2.gz SAJNCSQCCAEBBO-GJZGRUSLSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC000993855329 769763163 /nfs/dbraw/zinc/76/31/63/769763163.db2.gz OFYIJSOSPBUUQA-HNNXBMFYSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001019386418 771236844 /nfs/dbraw/zinc/23/68/44/771236844.db2.gz NSEPRXYEVFVATD-HOTGVXAUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001020250821 772351288 /nfs/dbraw/zinc/35/12/88/772351288.db2.gz SIRQOWGSZXKCCO-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001020250821 772351295 /nfs/dbraw/zinc/35/12/95/772351295.db2.gz SIRQOWGSZXKCCO-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001078472602 783017730 /nfs/dbraw/zinc/01/77/30/783017730.db2.gz BPQHTXKJMMYTJZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001078472602 783017732 /nfs/dbraw/zinc/01/77/32/783017732.db2.gz BPQHTXKJMMYTJZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001078472602 783017735 /nfs/dbraw/zinc/01/77/35/783017735.db2.gz BPQHTXKJMMYTJZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001078472602 783017737 /nfs/dbraw/zinc/01/77/37/783017737.db2.gz BPQHTXKJMMYTJZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCCO)[C@H]3C2)CC1 ZINC001042369288 780158284 /nfs/dbraw/zinc/15/82/84/780158284.db2.gz WBIBNMFTVRGMGQ-AEFFLSMTSA-N 2 1 333.476 0.637 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685711 781512478 /nfs/dbraw/zinc/51/24/78/781512478.db2.gz ZZYWBKSEYHQXCJ-HZPDHXFCSA-N 2 1 334.420 0.621 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685711 781512482 /nfs/dbraw/zinc/51/24/82/781512482.db2.gz ZZYWBKSEYHQXCJ-HZPDHXFCSA-N 2 1 334.420 0.621 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070505805 784203050 /nfs/dbraw/zinc/20/30/50/784203050.db2.gz JKEFCVYWLMITBP-YALNPMBYSA-N 2 1 347.463 0.209 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070505805 784203057 /nfs/dbraw/zinc/20/30/57/784203057.db2.gz JKEFCVYWLMITBP-YALNPMBYSA-N 2 1 347.463 0.209 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534730 784239752 /nfs/dbraw/zinc/23/97/52/784239752.db2.gz LELCVFMHXRJZJT-YQQAZPJKSA-N 2 1 329.448 0.279 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963533 784244999 /nfs/dbraw/zinc/24/49/99/784244999.db2.gz VOBARBURHQHHNR-KRWDZBQOSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963533 784245007 /nfs/dbraw/zinc/24/50/07/784245007.db2.gz VOBARBURHQHHNR-KRWDZBQOSA-N 2 1 346.475 0.002 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563726 784280525 /nfs/dbraw/zinc/28/05/25/784280525.db2.gz ITJJUPUMWDTVQM-HLLBOEOZSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)COC)C3)CC1 ZINC001073457213 789864502 /nfs/dbraw/zinc/86/45/02/789864502.db2.gz GGMJYXRXMPWDPD-INIZCTEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267558721 837767754 /nfs/dbraw/zinc/76/77/54/837767754.db2.gz FZBZMLJAKQMJMB-OWCLPIDISA-N 2 1 336.480 0.457 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267558721 837767761 /nfs/dbraw/zinc/76/77/61/837767761.db2.gz FZBZMLJAKQMJMB-OWCLPIDISA-N 2 1 336.480 0.457 20 30 ECEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266513597 835923553 /nfs/dbraw/zinc/92/35/53/835923553.db2.gz CZFPEPQKFWNMTF-INIZCTEOSA-N 2 1 347.463 0.146 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266542179 835963955 /nfs/dbraw/zinc/96/39/55/835963955.db2.gz JHDDFFQHKZZELK-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266579290 836009265 /nfs/dbraw/zinc/00/92/65/836009265.db2.gz LXQXJOGTBXDSJG-INIZCTEOSA-N 2 1 325.453 0.185 20 30 ECEDMP CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266579290 836009277 /nfs/dbraw/zinc/00/92/77/836009277.db2.gz LXQXJOGTBXDSJG-INIZCTEOSA-N 2 1 325.453 0.185 20 30 ECEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266579290 836009290 /nfs/dbraw/zinc/00/92/90/836009290.db2.gz LXQXJOGTBXDSJG-INIZCTEOSA-N 2 1 325.453 0.185 20 30 ECEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266579290 836009303 /nfs/dbraw/zinc/00/93/03/836009303.db2.gz LXQXJOGTBXDSJG-INIZCTEOSA-N 2 1 325.453 0.185 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266620059 836057220 /nfs/dbraw/zinc/05/72/20/836057220.db2.gz KQKZKSCPWFTIHJ-KKUMJFAQSA-N 2 1 345.447 0.293 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266685203 836139578 /nfs/dbraw/zinc/13/95/78/836139578.db2.gz BLLWVMQRLRPFHF-RBGFHDKUSA-N 2 1 334.464 0.091 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266712961 836187368 /nfs/dbraw/zinc/18/73/68/836187368.db2.gz KQKZKSCPWFTIHJ-SOUVJXGZSA-N 2 1 345.447 0.293 20 30 ECEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266716849 836191125 /nfs/dbraw/zinc/19/11/25/836191125.db2.gz QZOJNMSNDYRILH-QLFBSQMISA-N 2 1 335.452 0.126 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767416 836273604 /nfs/dbraw/zinc/27/36/04/836273604.db2.gz NAJBUIGBWSVLPH-CVEARBPZSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767416 836273614 /nfs/dbraw/zinc/27/36/14/836273614.db2.gz NAJBUIGBWSVLPH-CVEARBPZSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767416 836273622 /nfs/dbraw/zinc/27/36/22/836273622.db2.gz NAJBUIGBWSVLPH-CVEARBPZSA-N 2 1 336.480 0.294 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001266885631 836434158 /nfs/dbraw/zinc/43/41/58/836434158.db2.gz ZKZFBBUTOPEADZ-OAHLLOKOSA-N 2 1 333.436 0.464 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001266915376 836474111 /nfs/dbraw/zinc/47/41/11/836474111.db2.gz GVRHGTBDPGXCMA-QQFBHYJXSA-N 2 1 336.480 0.483 20 30 ECEDMP C#Cc1cccc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001266992915 836575241 /nfs/dbraw/zinc/57/52/41/836575241.db2.gz FRUYDYSFRZOQTJ-ZBFHGGJFSA-N 2 1 342.443 0.652 20 30 ECEDMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)c1ccccc1 ZINC001267026211 836644704 /nfs/dbraw/zinc/64/47/04/836644704.db2.gz JMOBVQRPHOXLSY-RDJZCZTQSA-N 2 1 343.431 0.120 20 30 ECEDMP C#CC[NH2+]CCc1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC001267098265 836763295 /nfs/dbraw/zinc/76/32/95/836763295.db2.gz JYYNBHFWIWSOPV-UHFFFAOYSA-N 2 1 329.444 0.790 20 30 ECEDMP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254532 837077256 /nfs/dbraw/zinc/07/72/56/837077256.db2.gz UDQJMNFAGNYNEW-GJZGRUSLSA-N 2 1 337.468 0.185 20 30 ECEDMP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254532 837077265 /nfs/dbraw/zinc/07/72/65/837077265.db2.gz UDQJMNFAGNYNEW-GJZGRUSLSA-N 2 1 337.468 0.185 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001267735414 838428658 /nfs/dbraw/zinc/42/86/58/838428658.db2.gz UTFKPYCHDHSXGB-DLBZAZTESA-N 2 1 348.491 0.840 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001267735414 838428665 /nfs/dbraw/zinc/42/86/65/838428665.db2.gz UTFKPYCHDHSXGB-DLBZAZTESA-N 2 1 348.491 0.840 20 30 ECEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267767220 838503154 /nfs/dbraw/zinc/50/31/54/838503154.db2.gz NGDBJLOYMKMENS-HOTGVXAUSA-N 2 1 330.432 0.628 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001267834595 838628020 /nfs/dbraw/zinc/62/80/20/838628020.db2.gz WTJXDAIKDOJVMX-LSDHHAIUSA-N 2 1 334.464 0.237 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001268083597 839284358 /nfs/dbraw/zinc/28/43/58/839284358.db2.gz ACCNBZIMIMYRCZ-CQSZACIVSA-N 2 1 333.436 0.192 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264114907 437016176 /nfs/dbraw/zinc/01/61/76/437016176.db2.gz SDSDFKOFIQFAPR-INIZCTEOSA-N 2 1 331.464 0.734 20 30 ECEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264129059 437016686 /nfs/dbraw/zinc/01/66/86/437016686.db2.gz XHBRJHJPEWGSGX-HNNXBMFYSA-N 2 1 331.468 0.645 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264106126 437017343 /nfs/dbraw/zinc/01/73/43/437017343.db2.gz PMBMAAHZNWYUFK-HUUCEWRRSA-N 2 1 338.427 0.954 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(O)cc1 ZINC000264101835 437017568 /nfs/dbraw/zinc/01/75/68/437017568.db2.gz OKNMYZKKJORQFN-AWEZNQCLSA-N 2 1 333.436 0.511 20 30 ECEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCOCC1 ZINC000190538426 437628977 /nfs/dbraw/zinc/62/89/77/437628977.db2.gz LELHZWYMXBPSKQ-QGZVFWFLSA-N 2 1 332.448 0.924 20 30 ECEDMP CN(C)c1nc(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc[nH+]1 ZINC000424149293 437893150 /nfs/dbraw/zinc/89/31/50/437893150.db2.gz WIIIJLJGMJQIJG-ZDUSSCGKSA-N 2 1 331.424 0.212 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000366896703 438141830 /nfs/dbraw/zinc/14/18/30/438141830.db2.gz NDTRPWQYYHGGTJ-KRWDZBQOSA-N 2 1 348.491 0.649 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367170013 438176264 /nfs/dbraw/zinc/17/62/64/438176264.db2.gz DWJQRQOQWSRMMU-SJORKVTESA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367170013 438176269 /nfs/dbraw/zinc/17/62/69/438176269.db2.gz DWJQRQOQWSRMMU-SJORKVTESA-N 2 1 335.496 0.706 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440981931 438573564 /nfs/dbraw/zinc/57/35/64/438573564.db2.gz KWVPEPHUYAGHLA-UHFFFAOYSA-N 2 1 337.512 0.962 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764070345 579570604 /nfs/dbraw/zinc/57/06/04/579570604.db2.gz AARRCEYPXBERGS-KURKYZTESA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764070345 579570606 /nfs/dbraw/zinc/57/06/06/579570606.db2.gz AARRCEYPXBERGS-KURKYZTESA-N 2 1 332.492 0.568 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900592238 586644753 /nfs/dbraw/zinc/64/47/53/586644753.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900592238 586644756 /nfs/dbraw/zinc/64/47/56/586644756.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H]1C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000900592238 586644758 /nfs/dbraw/zinc/64/47/58/586644758.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NCC[N@H+](C)C(C)C)[C@@H]1C(=O)NCC[NH+](C)C(C)C ZINC000900701053 586657527 /nfs/dbraw/zinc/65/75/27/586657527.db2.gz VAXJEMPEMLJGCL-IYBDPMFKSA-N 2 1 338.496 0.701 20 30 ECEDMP C=C1[C@H](C(=O)NCC[NH+](C)C(C)C)[C@@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000900701053 586657528 /nfs/dbraw/zinc/65/75/28/586657528.db2.gz VAXJEMPEMLJGCL-IYBDPMFKSA-N 2 1 338.496 0.701 20 30 ECEDMP C=C1[C@H](C(=O)NCC[NH+](C)C(C)C)[C@@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000900701053 586657529 /nfs/dbraw/zinc/65/75/29/586657529.db2.gz VAXJEMPEMLJGCL-IYBDPMFKSA-N 2 1 338.496 0.701 20 30 ECEDMP C#CCN1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC)CC1 ZINC000828601370 588192443 /nfs/dbraw/zinc/19/24/43/588192443.db2.gz PUFBHMFMMIAJLH-CVEARBPZSA-N 2 1 344.463 0.589 20 30 ECEDMP C#CCN1CCN(c2nnc([C@@H]3CN4CCC[C@@H]4CO3)n2CC)CC1 ZINC000828601370 588192445 /nfs/dbraw/zinc/19/24/45/588192445.db2.gz PUFBHMFMMIAJLH-CVEARBPZSA-N 2 1 344.463 0.589 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000890362973 591150460 /nfs/dbraw/zinc/15/04/60/591150460.db2.gz JEQWMEJVHHCOFL-INIZCTEOSA-N 2 1 334.464 0.590 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000890362973 591150462 /nfs/dbraw/zinc/15/04/62/591150462.db2.gz JEQWMEJVHHCOFL-INIZCTEOSA-N 2 1 334.464 0.590 20 30 ECEDMP C#CCN(C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000929955343 611371450 /nfs/dbraw/zinc/37/14/50/611371450.db2.gz OCYCLLYBTIJFNQ-QGZVFWFLSA-N 2 1 348.491 0.533 20 30 ECEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179087754 608931661 /nfs/dbraw/zinc/93/16/61/608931661.db2.gz IMYIAEJHWWQNOI-MRXNPFEDSA-N 2 1 348.495 0.766 20 30 ECEDMP C#CCN1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456524 610318844 /nfs/dbraw/zinc/31/88/44/610318844.db2.gz QUFXYFMBVYMJRS-FUHWJXTLSA-N 2 1 330.476 0.465 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941531600 610363153 /nfs/dbraw/zinc/36/31/53/610363153.db2.gz AKWATDCGGBGIQD-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531600 610363155 /nfs/dbraw/zinc/36/31/55/610363155.db2.gz AKWATDCGGBGIQD-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533757 610365135 /nfs/dbraw/zinc/36/51/35/610365135.db2.gz IBKLTZOEOVGQRQ-IRXDYDNUSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533757 610365137 /nfs/dbraw/zinc/36/51/37/610365137.db2.gz IBKLTZOEOVGQRQ-IRXDYDNUSA-N 2 1 332.492 0.568 20 30 ECEDMP C=CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408508 610722477 /nfs/dbraw/zinc/72/24/77/610722477.db2.gz JJDAIXPFVIIIFG-DLBZAZTESA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408508 610722478 /nfs/dbraw/zinc/72/24/78/610722478.db2.gz JJDAIXPFVIIIFG-DLBZAZTESA-N 2 1 332.492 0.875 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408508 610722480 /nfs/dbraw/zinc/72/24/80/610722480.db2.gz JJDAIXPFVIIIFG-DLBZAZTESA-N 2 1 332.492 0.875 20 30 ECEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413094 611240563 /nfs/dbraw/zinc/24/05/63/611240563.db2.gz BLDCKKQSTFILNM-NCOADZHNSA-N 2 1 342.399 0.459 20 30 ECEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000923428997 611242133 /nfs/dbraw/zinc/24/21/33/611242133.db2.gz MPKHNILLYWPNBP-LHHMISFZSA-N 2 1 329.400 0.804 20 30 ECEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471303 611991739 /nfs/dbraw/zinc/99/17/39/611991739.db2.gz XCKZFXRECOYCMU-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471303 611991742 /nfs/dbraw/zinc/99/17/42/611991742.db2.gz XCKZFXRECOYCMU-IAGOWNOFSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000951241056 612098921 /nfs/dbraw/zinc/09/89/21/612098921.db2.gz MAIKQRFBNIMGNV-ZACQAIPSSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000951241056 612098922 /nfs/dbraw/zinc/09/89/22/612098922.db2.gz MAIKQRFBNIMGNV-ZACQAIPSSA-N 2 1 348.491 0.531 20 30 ECEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753370 732451393 /nfs/dbraw/zinc/45/13/93/732451393.db2.gz YXZIDPVUYZJVTN-NTDBWNAOSA-N 2 1 333.476 0.947 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753370 732451396 /nfs/dbraw/zinc/45/13/96/732451396.db2.gz YXZIDPVUYZJVTN-NTDBWNAOSA-N 2 1 333.476 0.947 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753370 732451398 /nfs/dbraw/zinc/45/13/98/732451398.db2.gz YXZIDPVUYZJVTN-NTDBWNAOSA-N 2 1 333.476 0.947 20 30 ECEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834461 782304222 /nfs/dbraw/zinc/30/42/22/782304222.db2.gz DCSRRWFFCNIKHL-IEBWSBKVSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225417 733068593 /nfs/dbraw/zinc/06/85/93/733068593.db2.gz USCMWRKPYWMGCZ-OAHLLOKOSA-N 2 1 334.464 0.096 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225240 733068794 /nfs/dbraw/zinc/06/87/94/733068794.db2.gz RIKSHKGECIWBRN-HOTGVXAUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225241 733068840 /nfs/dbraw/zinc/06/88/40/733068840.db2.gz RIKSHKGECIWBRN-HZPDHXFCSA-N 2 1 348.491 0.485 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000970766038 733923600 /nfs/dbraw/zinc/92/36/00/733923600.db2.gz PFXJWIHQWSQAQJ-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000970766038 733923604 /nfs/dbraw/zinc/92/36/04/733923604.db2.gz PFXJWIHQWSQAQJ-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398829 751349447 /nfs/dbraw/zinc/34/94/47/751349447.db2.gz GDYVHBVTFFBHOB-DOTOQJQBSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433394 736191713 /nfs/dbraw/zinc/19/17/13/736191713.db2.gz AGYBCUKLHQCCSF-QCZOYZIOSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](CCO)CCF)CC2)CC1 ZINC001098572450 736274590 /nfs/dbraw/zinc/27/45/90/736274590.db2.gz IKPGZBDFKPMGDQ-UHFFFAOYSA-N 2 1 339.455 0.586 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[nH]1 ZINC001087257206 737412196 /nfs/dbraw/zinc/41/21/96/737412196.db2.gz FYEQBHHFEYDLPI-HNNXBMFYSA-N 2 1 343.431 0.396 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[nH]1 ZINC001087257206 737412199 /nfs/dbraw/zinc/41/21/99/737412199.db2.gz FYEQBHHFEYDLPI-HNNXBMFYSA-N 2 1 343.431 0.396 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734980 737569914 /nfs/dbraw/zinc/56/99/14/737569914.db2.gz IOOSMIOZESUEAX-HOTGVXAUSA-N 2 1 346.475 0.402 20 30 ECEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075914 741254472 /nfs/dbraw/zinc/25/44/72/741254472.db2.gz ZVLBUNSSFOTHCH-JHJVBQTASA-N 2 1 335.370 0.872 20 30 ECEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001112075914 741254475 /nfs/dbraw/zinc/25/44/75/741254475.db2.gz ZVLBUNSSFOTHCH-JHJVBQTASA-N 2 1 335.370 0.872 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327196 741813034 /nfs/dbraw/zinc/81/30/34/741813034.db2.gz VWYRXPJKBGIKAC-AWEZNQCLSA-N 2 1 330.436 0.259 20 30 ECEDMP Cc1nnc(CNC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)=[NH+]C2CC2)n1C ZINC000261967820 743197471 /nfs/dbraw/zinc/19/74/71/743197471.db2.gz LWBBTKMKZKOCNA-IAQYHMDHSA-N 2 1 331.468 0.804 20 30 ECEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261972976 743231853 /nfs/dbraw/zinc/23/18/53/743231853.db2.gz NEVJTFLVVCGDDI-AWEZNQCLSA-N 2 1 344.525 0.803 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC000997150332 743289726 /nfs/dbraw/zinc/28/97/26/743289726.db2.gz XGBRRJANFNLZGI-VYDXJSESSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC000997150332 743289734 /nfs/dbraw/zinc/28/97/34/743289734.db2.gz XGBRRJANFNLZGI-VYDXJSESSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000997623648 743716561 /nfs/dbraw/zinc/71/65/61/743716561.db2.gz GOUUWCKXYVDMTJ-LZWOXQAQSA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000997623648 743716563 /nfs/dbraw/zinc/71/65/63/743716563.db2.gz GOUUWCKXYVDMTJ-LZWOXQAQSA-N 2 1 334.464 0.175 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000998197194 744044789 /nfs/dbraw/zinc/04/47/89/744044789.db2.gz KNKJALQWQUTWTE-KRWDZBQOSA-N 2 1 348.491 0.520 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC000982299136 751910237 /nfs/dbraw/zinc/91/02/37/751910237.db2.gz XCYMMMFGXYWXOJ-PBWTXFEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC000982299136 751910242 /nfs/dbraw/zinc/91/02/42/751910242.db2.gz XCYMMMFGXYWXOJ-PBWTXFEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC000982299136 751910246 /nfs/dbraw/zinc/91/02/46/751910246.db2.gz XCYMMMFGXYWXOJ-PBWTXFEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@H](C)O)C[C@]2(C)C1 ZINC000982299136 751910250 /nfs/dbraw/zinc/91/02/50/751910250.db2.gz XCYMMMFGXYWXOJ-PBWTXFEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C[C@H](C)O)C[C@]2(C)C1 ZINC000982299136 751910253 /nfs/dbraw/zinc/91/02/53/751910253.db2.gz XCYMMMFGXYWXOJ-PBWTXFEYSA-N 2 1 333.476 0.635 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825893 744362557 /nfs/dbraw/zinc/36/25/57/744362557.db2.gz NNQVDYBUYKCNAM-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000998825893 744362558 /nfs/dbraw/zinc/36/25/58/744362558.db2.gz NNQVDYBUYKCNAM-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999990353 745147374 /nfs/dbraw/zinc/14/73/74/745147374.db2.gz JUSBSQZQNQNMHU-IAGOWNOFSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990353 745147379 /nfs/dbraw/zinc/14/73/79/745147379.db2.gz JUSBSQZQNQNMHU-IAGOWNOFSA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999990353 745147383 /nfs/dbraw/zinc/14/73/83/745147383.db2.gz JUSBSQZQNQNMHU-IAGOWNOFSA-N 2 1 344.463 0.647 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000023120 745193681 /nfs/dbraw/zinc/19/36/81/745193681.db2.gz YATVDXYNZNZHHI-INIZCTEOSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041338 745220295 /nfs/dbraw/zinc/22/02/95/745220295.db2.gz ANDKXVSLHMZRDJ-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041338 745220298 /nfs/dbraw/zinc/22/02/98/745220298.db2.gz ANDKXVSLHMZRDJ-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041338 745220305 /nfs/dbraw/zinc/22/03/05/745220305.db2.gz ANDKXVSLHMZRDJ-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000977919494 745647143 /nfs/dbraw/zinc/64/71/43/745647143.db2.gz NPMBLALCZQABFI-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000977919494 745647146 /nfs/dbraw/zinc/64/71/46/745647146.db2.gz NPMBLALCZQABFI-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000977919494 745647153 /nfs/dbraw/zinc/64/71/53/745647153.db2.gz NPMBLALCZQABFI-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000977919494 745647156 /nfs/dbraw/zinc/64/71/56/745647156.db2.gz NPMBLALCZQABFI-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC000978277916 746139701 /nfs/dbraw/zinc/13/97/01/746139701.db2.gz BYJZFVDOPQJFDC-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC000978277916 746139708 /nfs/dbraw/zinc/13/97/08/746139708.db2.gz BYJZFVDOPQJFDC-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cnn(C)c3)C[C@H]21 ZINC000978277916 746139710 /nfs/dbraw/zinc/13/97/10/746139710.db2.gz BYJZFVDOPQJFDC-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cnn(C)c3)C[C@H]21 ZINC000978277916 746139714 /nfs/dbraw/zinc/13/97/14/746139714.db2.gz BYJZFVDOPQJFDC-FJIDUMEYSA-N 2 1 341.459 0.312 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+]([C@@H](CC)C(N)=O)CC2)CC1 ZINC001001473200 746414661 /nfs/dbraw/zinc/41/46/61/746414661.db2.gz YHJGTAGWOWMYHD-KRWDZBQOSA-N 2 1 346.475 0.344 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551192 746419856 /nfs/dbraw/zinc/41/98/56/746419856.db2.gz DLCDTOZFSWKEAP-HSPZGVKFSA-N 2 1 331.460 0.720 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551192 746419858 /nfs/dbraw/zinc/41/98/58/746419858.db2.gz DLCDTOZFSWKEAP-HSPZGVKFSA-N 2 1 331.460 0.720 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978551192 746419859 /nfs/dbraw/zinc/41/98/59/746419859.db2.gz DLCDTOZFSWKEAP-HSPZGVKFSA-N 2 1 331.460 0.720 20 30 ECEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001105414644 747781518 /nfs/dbraw/zinc/78/15/18/747781518.db2.gz DPYCCPSJIZGYIO-CMKODMSKSA-N 2 1 341.455 0.756 20 30 ECEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001105414644 747781523 /nfs/dbraw/zinc/78/15/23/747781523.db2.gz DPYCCPSJIZGYIO-CMKODMSKSA-N 2 1 341.455 0.756 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002918276 747958716 /nfs/dbraw/zinc/95/87/16/747958716.db2.gz OGTNEXUXLQFORN-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002918276 747958720 /nfs/dbraw/zinc/95/87/20/747958720.db2.gz OGTNEXUXLQFORN-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003056059 748124242 /nfs/dbraw/zinc/12/42/42/748124242.db2.gz KTZGDFJJFBKNPQ-KRWDZBQOSA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003056059 748124246 /nfs/dbraw/zinc/12/42/46/748124246.db2.gz KTZGDFJJFBKNPQ-KRWDZBQOSA-N 2 1 329.448 0.561 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@H]3C2)CC1 ZINC000980252811 749258841 /nfs/dbraw/zinc/25/88/41/749258841.db2.gz JGRMKBJSDMLRKB-RCCFBDPRSA-N 2 1 333.476 0.541 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255138 749261413 /nfs/dbraw/zinc/26/14/13/749261413.db2.gz PBGGYSAIBNPSFJ-CEXWTWQISA-N 2 1 347.503 0.931 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004460153 749527240 /nfs/dbraw/zinc/52/72/40/749527240.db2.gz XNULALKNDTVKFE-MSOLQXFVSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004460153 749527243 /nfs/dbraw/zinc/52/72/43/749527243.db2.gz XNULALKNDTVKFE-MSOLQXFVSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004460153 749527246 /nfs/dbraw/zinc/52/72/46/749527246.db2.gz XNULALKNDTVKFE-MSOLQXFVSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004460153 749527247 /nfs/dbraw/zinc/52/72/47/749527247.db2.gz XNULALKNDTVKFE-MSOLQXFVSA-N 2 1 333.476 0.779 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000989661006 754269082 /nfs/dbraw/zinc/26/90/82/754269082.db2.gz FDTDHHOFMAIIND-HZPDHXFCSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000989661006 754269085 /nfs/dbraw/zinc/26/90/85/754269085.db2.gz FDTDHHOFMAIIND-HZPDHXFCSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661006 754269087 /nfs/dbraw/zinc/26/90/87/754269087.db2.gz FDTDHHOFMAIIND-HZPDHXFCSA-N 2 1 334.464 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000989661006 754269090 /nfs/dbraw/zinc/26/90/90/754269090.db2.gz FDTDHHOFMAIIND-HZPDHXFCSA-N 2 1 334.464 0.259 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)CC1 ZINC000989734840 754366949 /nfs/dbraw/zinc/36/69/49/754366949.db2.gz GYECKDVCRNNEAL-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)CC1 ZINC000989734840 754366955 /nfs/dbraw/zinc/36/69/55/754366955.db2.gz GYECKDVCRNNEAL-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000990276877 754931982 /nfs/dbraw/zinc/93/19/82/754931982.db2.gz KIALTURXORHZRV-JKSUJKDBSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001009627803 755087763 /nfs/dbraw/zinc/08/77/63/755087763.db2.gz NJNLVBZAZKMPPS-HOTGVXAUSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001009627803 755087769 /nfs/dbraw/zinc/08/77/69/755087769.db2.gz NJNLVBZAZKMPPS-HOTGVXAUSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2C1 ZINC001048868497 757233231 /nfs/dbraw/zinc/23/32/31/757233231.db2.gz AQCOOQRZGBOLMM-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2C1 ZINC001048868497 757233235 /nfs/dbraw/zinc/23/32/35/757233235.db2.gz AQCOOQRZGBOLMM-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccnn3C)C[C@@H]2C1 ZINC001048868497 757233238 /nfs/dbraw/zinc/23/32/38/757233238.db2.gz AQCOOQRZGBOLMM-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccnn3C)C[C@@H]2C1 ZINC001048868497 757233243 /nfs/dbraw/zinc/23/32/43/757233243.db2.gz AQCOOQRZGBOLMM-JZXOWHBKSA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001048868971 757234240 /nfs/dbraw/zinc/23/42/40/757234240.db2.gz RPEUPKQAYWZCFV-KSZLIROESA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001048868971 757234244 /nfs/dbraw/zinc/23/42/44/757234244.db2.gz RPEUPKQAYWZCFV-KSZLIROESA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001048868971 757234249 /nfs/dbraw/zinc/23/42/49/757234249.db2.gz RPEUPKQAYWZCFV-KSZLIROESA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001048868971 757234256 /nfs/dbraw/zinc/23/42/56/757234256.db2.gz RPEUPKQAYWZCFV-KSZLIROESA-N 2 1 341.459 0.408 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001048869371 757235825 /nfs/dbraw/zinc/23/58/25/757235825.db2.gz VKGHQZUYQZORPS-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001048869371 757235832 /nfs/dbraw/zinc/23/58/32/757235832.db2.gz VKGHQZUYQZORPS-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001048869371 757235843 /nfs/dbraw/zinc/23/58/43/757235843.db2.gz VKGHQZUYQZORPS-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)no3)C[C@@H]2C1 ZINC001048869371 757235851 /nfs/dbraw/zinc/23/58/51/757235851.db2.gz VKGHQZUYQZORPS-JZXOWHBKSA-N 2 1 342.443 0.971 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)C1=O ZINC001049212310 758324238 /nfs/dbraw/zinc/32/42/38/758324238.db2.gz AVKAEWUBZIXQPA-WCXIOVBPSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212310 758324248 /nfs/dbraw/zinc/32/42/48/758324248.db2.gz AVKAEWUBZIXQPA-WCXIOVBPSA-N 2 1 346.475 0.115 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212310 758324257 /nfs/dbraw/zinc/32/42/57/758324257.db2.gz AVKAEWUBZIXQPA-WCXIOVBPSA-N 2 1 346.475 0.115 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000996687348 758474868 /nfs/dbraw/zinc/47/48/68/758474868.db2.gz WHWFHGRXSDCASV-KRWDZBQOSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000996687348 758474873 /nfs/dbraw/zinc/47/48/73/758474873.db2.gz WHWFHGRXSDCASV-KRWDZBQOSA-N 2 1 341.459 0.963 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC001127779498 758622467 /nfs/dbraw/zinc/62/24/67/758622467.db2.gz MLJUZYGFHQUOEY-SJORKVTESA-N 2 1 328.416 0.627 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779978 758631377 /nfs/dbraw/zinc/63/13/77/758631377.db2.gz UPZLRAQSEJYZGH-ZWKOTPCHSA-N 2 1 345.418 0.746 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000996726699 758641652 /nfs/dbraw/zinc/64/16/52/758641652.db2.gz ZDRBIRARDVMVQJ-SJORKVTESA-N 2 1 348.491 0.838 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049518600 758846149 /nfs/dbraw/zinc/84/61/49/758846149.db2.gz UVMSXTXQLQDXCI-KZNAEPCWSA-N 2 1 343.475 0.902 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049518600 758846159 /nfs/dbraw/zinc/84/61/59/758846159.db2.gz UVMSXTXQLQDXCI-KZNAEPCWSA-N 2 1 343.475 0.902 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049518598 758846933 /nfs/dbraw/zinc/84/69/33/758846933.db2.gz UVMSXTXQLQDXCI-KURKYZTESA-N 2 1 343.475 0.902 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049518598 758846943 /nfs/dbraw/zinc/84/69/43/758846943.db2.gz UVMSXTXQLQDXCI-KURKYZTESA-N 2 1 343.475 0.902 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3C[C@H](C)O)CC1 ZINC001049918803 759402820 /nfs/dbraw/zinc/40/28/20/759402820.db2.gz MOTHSKUHJIXKCI-JQHSSLGASA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)CC1 ZINC001054245150 767862151 /nfs/dbraw/zinc/86/21/51/767862151.db2.gz PEDUSMBIQWMQMT-IBGZPJMESA-N 2 1 346.475 0.131 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001032207512 759644596 /nfs/dbraw/zinc/64/45/96/759644596.db2.gz UYOUICFMFQZHIP-QGZVFWFLSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCOC)C[C@H]32)CC1 ZINC001050208182 759942852 /nfs/dbraw/zinc/94/28/52/759942852.db2.gz FNNAYOIWMLRZBS-ZWKOTPCHSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]3C2)C1=O ZINC001048723763 761045487 /nfs/dbraw/zinc/04/54/87/761045487.db2.gz OTJUJDSEAFCMFU-YVSFHVDLSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723763 761045499 /nfs/dbraw/zinc/04/54/99/761045499.db2.gz OTJUJDSEAFCMFU-YVSFHVDLSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723763 761045504 /nfs/dbraw/zinc/04/55/04/761045504.db2.gz OTJUJDSEAFCMFU-YVSFHVDLSA-N 2 1 346.475 0.258 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081360 763797192 /nfs/dbraw/zinc/79/71/92/763797192.db2.gz AETWYRYKTIYURO-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001047227665 763816812 /nfs/dbraw/zinc/81/68/12/763816812.db2.gz DZDYBHAUULZJRY-ROUUACIJSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC001052458541 764544332 /nfs/dbraw/zinc/54/43/32/764544332.db2.gz DMGLGCBUVBYHNH-ROUUACIJSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC001052458541 764544341 /nfs/dbraw/zinc/54/43/41/764544341.db2.gz DMGLGCBUVBYHNH-ROUUACIJSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC001052458541 764544346 /nfs/dbraw/zinc/54/43/46/764544346.db2.gz DMGLGCBUVBYHNH-ROUUACIJSA-N 2 1 343.475 0.951 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC001052458541 764544353 /nfs/dbraw/zinc/54/43/53/764544353.db2.gz DMGLGCBUVBYHNH-ROUUACIJSA-N 2 1 343.475 0.951 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768198 764646017 /nfs/dbraw/zinc/64/60/17/764646017.db2.gz SALGSFZCKRQXCY-INIZCTEOSA-N 2 1 344.463 0.813 20 30 ECEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047627335 764923666 /nfs/dbraw/zinc/92/36/66/764923666.db2.gz OOFJDVQMNIPGGA-SQNIBIBYSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627708 764926199 /nfs/dbraw/zinc/92/61/99/764926199.db2.gz VCCDBGYZTRPWQW-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627708 764926205 /nfs/dbraw/zinc/92/62/05/764926205.db2.gz VCCDBGYZTRPWQW-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627708 764926211 /nfs/dbraw/zinc/92/62/11/764926211.db2.gz VCCDBGYZTRPWQW-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047627708 764926212 /nfs/dbraw/zinc/92/62/12/764926212.db2.gz VCCDBGYZTRPWQW-BZSNNMDCSA-N 2 1 342.443 0.513 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337531 766144983 /nfs/dbraw/zinc/14/49/83/766144983.db2.gz RKRDFGPBOOVVDK-FUHWJXTLSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@H]12 ZINC000992310891 766232662 /nfs/dbraw/zinc/23/26/62/766232662.db2.gz NDXUSNRLKPBXHS-WMZOPIPTSA-N 2 1 329.448 0.805 20 30 ECEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679335 766444065 /nfs/dbraw/zinc/44/40/65/766444065.db2.gz SSDTZTVYMQGCHQ-MSOLQXFVSA-N 2 1 333.476 0.805 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054637 766802123 /nfs/dbraw/zinc/80/21/23/766802123.db2.gz BAIKWWCUIREPRK-OALUTQOASA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054637 766802128 /nfs/dbraw/zinc/80/21/28/766802128.db2.gz BAIKWWCUIREPRK-OALUTQOASA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054637 766802135 /nfs/dbraw/zinc/80/21/35/766802135.db2.gz BAIKWWCUIREPRK-OALUTQOASA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064842 766846498 /nfs/dbraw/zinc/84/64/98/766846498.db2.gz WHSVYYYWWIEWDE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064842 766846510 /nfs/dbraw/zinc/84/65/10/766846510.db2.gz WHSVYYYWWIEWDE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064842 766846517 /nfs/dbraw/zinc/84/65/17/766846517.db2.gz WHSVYYYWWIEWDE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073341 766885727 /nfs/dbraw/zinc/88/57/27/766885727.db2.gz BWFOFCIZIXDGAA-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106907977 767104894 /nfs/dbraw/zinc/10/48/94/767104894.db2.gz KMZZGXXAAYWMJS-OWCLPIDISA-N 2 1 338.496 0.703 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000938826079 767124342 /nfs/dbraw/zinc/12/43/42/767124342.db2.gz AWHCZWHBNLFQJI-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000938826079 767124343 /nfs/dbraw/zinc/12/43/43/767124343.db2.gz AWHCZWHBNLFQJI-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000938826079 767124344 /nfs/dbraw/zinc/12/43/44/767124344.db2.gz AWHCZWHBNLFQJI-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000938826079 767124345 /nfs/dbraw/zinc/12/43/45/767124345.db2.gz AWHCZWHBNLFQJI-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(N)=O)CC1 ZINC001089735543 767137025 /nfs/dbraw/zinc/13/70/25/767137025.db2.gz NBDXRRGTVXMSFW-INIZCTEOSA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)CC1 ZINC001089735543 767137026 /nfs/dbraw/zinc/13/70/26/767137026.db2.gz NBDXRRGTVXMSFW-INIZCTEOSA-N 2 1 348.491 0.424 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001055590136 769196633 /nfs/dbraw/zinc/19/66/33/769196633.db2.gz DQOPZXRMYIMADJ-XJKSGUPXSA-N 2 1 349.479 0.183 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001018985407 770482144 /nfs/dbraw/zinc/48/21/44/770482144.db2.gz QUMNNNGRXPDHHE-BBWFWOEESA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC[C@H]3CCOC3)C2)CC1 ZINC001031435251 771070297 /nfs/dbraw/zinc/07/02/97/771070297.db2.gz VRCUTPPHUPPKNG-INIZCTEOSA-N 2 1 333.476 0.949 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001020045627 772106569 /nfs/dbraw/zinc/10/65/69/772106569.db2.gz GOTVSRLQPKTYCA-BRWVUGGUSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001020045627 772106571 /nfs/dbraw/zinc/10/65/71/772106571.db2.gz GOTVSRLQPKTYCA-BRWVUGGUSA-N 2 1 328.416 0.626 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001020250549 772351022 /nfs/dbraw/zinc/35/10/22/772351022.db2.gz IESMORWSTLLYFY-ZOBUZTSGSA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001020250934 772352167 /nfs/dbraw/zinc/35/21/67/772352167.db2.gz WZOMOMCISNNHFC-DZKIICNBSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001020250934 772352172 /nfs/dbraw/zinc/35/21/72/772352172.db2.gz WZOMOMCISNNHFC-DZKIICNBSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001020251237 772352801 /nfs/dbraw/zinc/35/28/01/772352801.db2.gz BVCXSDAYTJFGMG-QAETUUGQSA-N 2 1 346.475 0.330 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001020251237 772352803 /nfs/dbraw/zinc/35/28/03/772352803.db2.gz BVCXSDAYTJFGMG-QAETUUGQSA-N 2 1 346.475 0.330 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026871 790374540 /nfs/dbraw/zinc/37/45/40/790374540.db2.gz LOEVWMRVWFHCMV-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026871 790374554 /nfs/dbraw/zinc/37/45/54/790374554.db2.gz LOEVWMRVWFHCMV-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026871 790374567 /nfs/dbraw/zinc/37/45/67/790374567.db2.gz LOEVWMRVWFHCMV-XHSDSOJGSA-N 2 1 332.452 0.680 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001045684784 776038527 /nfs/dbraw/zinc/03/85/27/776038527.db2.gz BIGFYSAWVJFWIJ-SJORKVTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001045684784 776038535 /nfs/dbraw/zinc/03/85/35/776038535.db2.gz BIGFYSAWVJFWIJ-SJORKVTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273627 780949195 /nfs/dbraw/zinc/94/91/95/780949195.db2.gz HOWDZVNJGAGOLZ-YESZJQIVSA-N 2 1 331.460 0.511 20 30 ECEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489219 781618838 /nfs/dbraw/zinc/61/88/38/781618838.db2.gz QKULWBRFVYRMSE-YDXUJSMASA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489219 781618840 /nfs/dbraw/zinc/61/88/40/781618840.db2.gz QKULWBRFVYRMSE-YDXUJSMASA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489219 781618844 /nfs/dbraw/zinc/61/88/44/781618844.db2.gz QKULWBRFVYRMSE-YDXUJSMASA-N 2 1 331.460 0.960 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534982 784239588 /nfs/dbraw/zinc/23/95/88/784239588.db2.gz YBLITVLHEAIUQI-DOTOQJQBSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071022096 784444791 /nfs/dbraw/zinc/44/47/91/784444791.db2.gz UQZFWWKMISTGDO-UHFFFAOYSA-N 2 1 348.491 0.536 20 30 ECEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071022096 784444795 /nfs/dbraw/zinc/44/47/95/784444795.db2.gz UQZFWWKMISTGDO-UHFFFAOYSA-N 2 1 348.491 0.536 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001071063452 784504365 /nfs/dbraw/zinc/50/43/65/784504365.db2.gz XBYJBEWCKSWXQB-QYZOEREBSA-N 2 1 343.471 0.703 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001071063452 784504369 /nfs/dbraw/zinc/50/43/69/784504369.db2.gz XBYJBEWCKSWXQB-QYZOEREBSA-N 2 1 343.471 0.703 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001071064969 784506218 /nfs/dbraw/zinc/50/62/18/784506218.db2.gz DQZUSIYLMZOMAY-DDBAPUKQSA-N 2 1 349.475 0.324 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001071064969 784506223 /nfs/dbraw/zinc/50/62/23/784506223.db2.gz DQZUSIYLMZOMAY-DDBAPUKQSA-N 2 1 349.475 0.324 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001070866671 784769678 /nfs/dbraw/zinc/76/96/78/784769678.db2.gz GMBMWRJJXMKNAN-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001070866671 784769680 /nfs/dbraw/zinc/76/96/80/784769680.db2.gz GMBMWRJJXMKNAN-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001070866671 784769685 /nfs/dbraw/zinc/76/96/85/784769685.db2.gz GMBMWRJJXMKNAN-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001070866671 784769690 /nfs/dbraw/zinc/76/96/90/784769690.db2.gz GMBMWRJJXMKNAN-SJORKVTESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096254 785661231 /nfs/dbraw/zinc/66/12/31/785661231.db2.gz WAGSGYQMQBUWKG-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096254 785661234 /nfs/dbraw/zinc/66/12/34/785661234.db2.gz WAGSGYQMQBUWKG-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603927 786755382 /nfs/dbraw/zinc/75/53/82/786755382.db2.gz SBLZFPMYXDMWPZ-INIZCTEOSA-N 2 1 347.463 0.289 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749246 787124741 /nfs/dbraw/zinc/12/47/41/787124741.db2.gz UQRMCNHIMWUYLL-AEFFLSMTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749246 787124745 /nfs/dbraw/zinc/12/47/45/787124745.db2.gz UQRMCNHIMWUYLL-AEFFLSMTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCn1cccn1)C2 ZINC001072822358 788889889 /nfs/dbraw/zinc/88/98/89/788889889.db2.gz CTGYRKQKPZESCK-KRWDZBQOSA-N 2 1 341.459 0.515 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCn1cccn1)C2 ZINC001072822358 788889901 /nfs/dbraw/zinc/88/99/01/788889901.db2.gz CTGYRKQKPZESCK-KRWDZBQOSA-N 2 1 341.459 0.515 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072822358 788889912 /nfs/dbraw/zinc/88/99/12/788889912.db2.gz CTGYRKQKPZESCK-KRWDZBQOSA-N 2 1 341.459 0.515 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072822358 788889924 /nfs/dbraw/zinc/88/99/24/788889924.db2.gz CTGYRKQKPZESCK-KRWDZBQOSA-N 2 1 341.459 0.515 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267531683 837705374 /nfs/dbraw/zinc/70/53/74/837705374.db2.gz WXGAGIFYGSRFNN-INIZCTEOSA-N 2 1 331.464 0.910 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373295 835785044 /nfs/dbraw/zinc/78/50/44/835785044.db2.gz ACSLWUPBMKRTJA-INIZCTEOSA-N 2 1 348.491 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnc(C)nc1)C1CC1 ZINC001266412236 835817722 /nfs/dbraw/zinc/81/77/22/835817722.db2.gz PBDFYWJRGNKFIW-ROUUACIJSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnc(C)nc1)C1CC1 ZINC001266412236 835817727 /nfs/dbraw/zinc/81/77/27/835817727.db2.gz PBDFYWJRGNKFIW-ROUUACIJSA-N 2 1 341.459 0.867 20 30 ECEDMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528404 835945129 /nfs/dbraw/zinc/94/51/29/835945129.db2.gz PAKOPNIKZLHRKN-HZPDHXFCSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528404 835945133 /nfs/dbraw/zinc/94/51/33/835945133.db2.gz PAKOPNIKZLHRKN-HZPDHXFCSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266528404 835945138 /nfs/dbraw/zinc/94/51/38/835945138.db2.gz PAKOPNIKZLHRKN-HZPDHXFCSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266528404 835945144 /nfs/dbraw/zinc/94/51/44/835945144.db2.gz PAKOPNIKZLHRKN-HZPDHXFCSA-N 2 1 349.479 0.186 20 30 ECEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001267002815 836600589 /nfs/dbraw/zinc/60/05/89/836600589.db2.gz ULBXGRPDZULSSB-INIZCTEOSA-N 2 1 347.463 0.712 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267296992 837156161 /nfs/dbraw/zinc/15/61/61/837156161.db2.gz YYWKYLPDOLMUAT-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267296992 837156166 /nfs/dbraw/zinc/15/61/66/837156166.db2.gz YYWKYLPDOLMUAT-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267296992 837156171 /nfs/dbraw/zinc/15/61/71/837156171.db2.gz YYWKYLPDOLMUAT-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267600890 837920156 /nfs/dbraw/zinc/92/01/56/837920156.db2.gz VKABLCVSUNWPSO-UHFFFAOYSA-N 2 1 347.463 0.664 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267600890 837920166 /nfs/dbraw/zinc/92/01/66/837920166.db2.gz VKABLCVSUNWPSO-UHFFFAOYSA-N 2 1 347.463 0.664 20 30 ECEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267617704 838041047 /nfs/dbraw/zinc/04/10/47/838041047.db2.gz GIVJHYFLJYCBSZ-ZWKOTPCHSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267617704 838041061 /nfs/dbraw/zinc/04/10/61/838041061.db2.gz GIVJHYFLJYCBSZ-ZWKOTPCHSA-N 2 1 334.508 0.816 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267731091 838418106 /nfs/dbraw/zinc/41/81/06/838418106.db2.gz NJDSGBSDEJCYKJ-HOCLYGCPSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267731091 838418109 /nfs/dbraw/zinc/41/81/09/838418109.db2.gz NJDSGBSDEJCYKJ-HOCLYGCPSA-N 2 1 336.480 0.600 20 30 ECEDMP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767677 838505548 /nfs/dbraw/zinc/50/55/48/838505548.db2.gz QDLIWUSIGUUATI-CABCVRRESA-N 2 1 335.452 0.033 20 30 ECEDMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800138 838578086 /nfs/dbraw/zinc/57/80/86/838578086.db2.gz NEUISGPCDUWSDX-ZWKOTPCHSA-N 2 1 347.434 0.992 20 30 ECEDMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800138 838578089 /nfs/dbraw/zinc/57/80/89/838578089.db2.gz NEUISGPCDUWSDX-ZWKOTPCHSA-N 2 1 347.434 0.992 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001267838653 838634063 /nfs/dbraw/zinc/63/40/63/838634063.db2.gz OXELKLDSSCJMLQ-UHFFFAOYSA-N 2 1 334.464 0.239 20 30 ECEDMP C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000264101900 275388425 /nfs/dbraw/zinc/38/84/25/275388425.db2.gz ONFHPFITEZLEHV-MRXNPFEDSA-N 2 1 327.432 0.995 20 30 ECEDMP N#Cc1cnn2cc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)cnc12 ZINC000552771330 302397425 /nfs/dbraw/zinc/39/74/25/302397425.db2.gz PPFQEUNECNPPPT-AWEZNQCLSA-N 2 1 341.419 0.278 20 30 ECEDMP N#Cc1cnn2cc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cnc12 ZINC000552771330 302397427 /nfs/dbraw/zinc/39/74/27/302397427.db2.gz PPFQEUNECNPPPT-AWEZNQCLSA-N 2 1 341.419 0.278 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909767 436960895 /nfs/dbraw/zinc/96/08/95/436960895.db2.gz LMWMPVPNTUAGSF-HNNXBMFYSA-N 2 1 329.448 0.964 20 30 ECEDMP Cc1cc(C)cc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000282690890 437020555 /nfs/dbraw/zinc/02/05/55/437020555.db2.gz UEUVKIQTAZTKPF-KRWDZBQOSA-N 2 1 334.464 0.963 20 30 ECEDMP CC(C)(C)OC(=O)N1CC(NC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304814365 437159101 /nfs/dbraw/zinc/15/91/01/437159101.db2.gz RCPAVTIUWKDNMS-UHFFFAOYSA-N 2 1 341.456 0.232 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000305332120 437161402 /nfs/dbraw/zinc/16/14/02/437161402.db2.gz NCSLYYMEFQBKHW-ARFHVFGLSA-N 2 1 336.480 0.961 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000287228615 437172124 /nfs/dbraw/zinc/17/21/24/437172124.db2.gz NWPSGFVDOJQKPB-ZDUSSCGKSA-N 2 1 339.465 0.223 20 30 ECEDMP C=C(C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(=C)C)CC1 ZINC000181252648 437315738 /nfs/dbraw/zinc/31/57/38/437315738.db2.gz SIXLJYNAZFIZRM-UHFFFAOYSA-N 2 1 336.480 0.673 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000329751712 437409639 /nfs/dbraw/zinc/40/96/39/437409639.db2.gz VVOOSGBPRFIGGD-ZFWWWQNUSA-N 2 1 329.466 0.481 20 30 ECEDMP CN(C)C(=O)CN1CCC(NC(=O)N2CCn3cncc3C2)CC1 ZINC000329668822 437398447 /nfs/dbraw/zinc/39/84/47/437398447.db2.gz RCUPFFYSRKKKLQ-UHFFFAOYSA-N 2 1 334.424 0.165 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000343906652 437691068 /nfs/dbraw/zinc/69/10/68/437691068.db2.gz HPOGRQDRPRAEBI-RHSMWYFYSA-N 2 1 348.491 0.742 20 30 ECEDMP CN(C)c1nc(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc[nH+]1 ZINC000424149292 437894291 /nfs/dbraw/zinc/89/42/91/437894291.db2.gz WIIIJLJGMJQIJG-CYBMUJFWSA-N 2 1 331.424 0.212 20 30 ECEDMP COC(=O)[C@H]1C[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595855789 438869900 /nfs/dbraw/zinc/86/99/00/438869900.db2.gz HABMHAZXNNQPGZ-RUPPMWDTSA-N 2 1 336.432 0.757 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000490670686 439283999 /nfs/dbraw/zinc/28/39/99/439283999.db2.gz NVEONOFDIXODKC-KRWDZBQOSA-N 2 1 334.508 0.721 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2c(C#N)cnn2c1 ZINC000568632123 439264309 /nfs/dbraw/zinc/26/43/09/439264309.db2.gz JPJFQTJFTKLOGI-UHFFFAOYSA-N 2 1 327.436 0.670 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000491716856 439434587 /nfs/dbraw/zinc/43/45/87/439434587.db2.gz OUGXGXFHOHBAMR-UHFFFAOYSA-N 2 1 328.420 0.719 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000491716856 439434592 /nfs/dbraw/zinc/43/45/92/439434592.db2.gz OUGXGXFHOHBAMR-UHFFFAOYSA-N 2 1 328.420 0.719 20 30 ECEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000584599199 439603088 /nfs/dbraw/zinc/60/30/88/439603088.db2.gz SCOOENVTLQXQAW-IRXDYDNUSA-N 2 1 333.432 0.539 20 30 ECEDMP C=CC[C@]1(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CCC[NH2+]1 ZINC000662681547 439843126 /nfs/dbraw/zinc/84/31/26/439843126.db2.gz HLWHGWIUGPCMLJ-GOSISDBHSA-N 2 1 336.480 0.792 20 30 ECEDMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000328724394 546004814 /nfs/dbraw/zinc/00/48/14/546004814.db2.gz SSOLYGVFCOYRAR-JKSUJKDBSA-N 2 1 325.501 0.858 20 30 ECEDMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000328724394 546004824 /nfs/dbraw/zinc/00/48/24/546004824.db2.gz SSOLYGVFCOYRAR-JKSUJKDBSA-N 2 1 325.501 0.858 20 30 ECEDMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000328724394 546004828 /nfs/dbraw/zinc/00/48/28/546004828.db2.gz SSOLYGVFCOYRAR-JKSUJKDBSA-N 2 1 325.501 0.858 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000834500952 588904107 /nfs/dbraw/zinc/90/41/07/588904107.db2.gz YKXQNPUFKRSDQC-IRXDYDNUSA-N 2 1 327.432 0.032 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000836317867 588929643 /nfs/dbraw/zinc/92/96/43/588929643.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000836317867 588929645 /nfs/dbraw/zinc/92/96/45/588929645.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000836317867 588929646 /nfs/dbraw/zinc/92/96/46/588929646.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000836317867 588929648 /nfs/dbraw/zinc/92/96/48/588929648.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000836317867 588929649 /nfs/dbraw/zinc/92/96/49/588929649.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP N#CCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849072743 589319249 /nfs/dbraw/zinc/31/92/49/589319249.db2.gz CXDFIILIHZGNGU-UHFFFAOYSA-N 2 1 331.420 0.925 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2[C@H](C)[C@H](C(=O)OCC)CC[C@@H]2C)CC1 ZINC000852204831 589450725 /nfs/dbraw/zinc/45/07/25/589450725.db2.gz XHDFIBIXJUQBBU-GVDBMIGSSA-N 2 1 349.475 0.816 20 30 ECEDMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000853799448 589559340 /nfs/dbraw/zinc/55/93/40/589559340.db2.gz QPLSSXRPGIBRMU-UHFFFAOYSA-N 2 1 339.465 0.501 20 30 ECEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000853799448 589559342 /nfs/dbraw/zinc/55/93/42/589559342.db2.gz QPLSSXRPGIBRMU-UHFFFAOYSA-N 2 1 339.465 0.501 20 30 ECEDMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)C1 ZINC000884236275 590786317 /nfs/dbraw/zinc/78/63/17/590786317.db2.gz QEPWTCJUSIORGR-VIHIWDAPSA-N 2 1 345.491 0.364 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000887679732 590991745 /nfs/dbraw/zinc/99/17/45/590991745.db2.gz HHIVVBYGRMGULT-KRWDZBQOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000887679732 590991747 /nfs/dbraw/zinc/99/17/47/590991747.db2.gz HHIVVBYGRMGULT-KRWDZBQOSA-N 2 1 335.496 0.409 20 30 ECEDMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104168611 591052788 /nfs/dbraw/zinc/05/27/88/591052788.db2.gz FWXPSESHGKWVMA-IRXDYDNUSA-N 3 1 339.528 0.981 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104181485 591053096 /nfs/dbraw/zinc/05/30/96/591053096.db2.gz DSZLEWRAFPRUPQ-MRXNPFEDSA-N 2 1 325.501 0.733 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104181485 591053099 /nfs/dbraw/zinc/05/30/99/591053099.db2.gz DSZLEWRAFPRUPQ-MRXNPFEDSA-N 3 1 325.501 0.733 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104181485 591053104 /nfs/dbraw/zinc/05/31/04/591053104.db2.gz DSZLEWRAFPRUPQ-MRXNPFEDSA-N 3 1 325.501 0.733 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000890368711 591154093 /nfs/dbraw/zinc/15/40/93/591154093.db2.gz MFURUJQTZYJWRM-DLBZAZTESA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000890368711 591154097 /nfs/dbraw/zinc/15/40/97/591154097.db2.gz MFURUJQTZYJWRM-DLBZAZTESA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H](C)C2)CC1 ZINC000948071573 611408634 /nfs/dbraw/zinc/40/86/34/611408634.db2.gz ZANAMXTUCOPMAH-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000937977447 609430166 /nfs/dbraw/zinc/43/01/66/609430166.db2.gz BCAQMIRMIZFXDW-IRXDYDNUSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)CC)C2)CC1 ZINC000941440916 610316757 /nfs/dbraw/zinc/31/67/57/610316757.db2.gz WVPVDQPWNSRRDR-HKUYNNGSSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)CC)C2)CC1 ZINC000941440916 610316759 /nfs/dbraw/zinc/31/67/59/610316759.db2.gz WVPVDQPWNSRRDR-HKUYNNGSSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475310 610331884 /nfs/dbraw/zinc/33/18/84/610331884.db2.gz PDRFIQPWHUJYTK-UHFFFAOYSA-N 2 1 330.476 0.467 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676874 610449619 /nfs/dbraw/zinc/44/96/19/610449619.db2.gz GFYKWKRRYHSBPH-CALCHBBNSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676874 610449620 /nfs/dbraw/zinc/44/96/20/610449620.db2.gz GFYKWKRRYHSBPH-CALCHBBNSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000941237853 610621747 /nfs/dbraw/zinc/62/17/47/610621747.db2.gz RMQWPJDPVNDRGC-HNNXBMFYSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000941237853 610621750 /nfs/dbraw/zinc/62/17/50/610621750.db2.gz RMQWPJDPVNDRGC-HNNXBMFYSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC000945184735 610938569 /nfs/dbraw/zinc/93/85/69/610938569.db2.gz XMIUPIZBJJPYGI-NVXWUHKLSA-N 2 1 348.491 0.246 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)CC[C@@H]2C1 ZINC000946896789 611236911 /nfs/dbraw/zinc/23/69/11/611236911.db2.gz OPCNPLRJMDHBRD-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896789 611236913 /nfs/dbraw/zinc/23/69/13/611236913.db2.gz OPCNPLRJMDHBRD-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946896789 611236915 /nfs/dbraw/zinc/23/69/15/611236915.db2.gz OPCNPLRJMDHBRD-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896789 611236917 /nfs/dbraw/zinc/23/69/17/611236917.db2.gz OPCNPLRJMDHBRD-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946896789 611236919 /nfs/dbraw/zinc/23/69/19/611236919.db2.gz OPCNPLRJMDHBRD-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000923428992 611242113 /nfs/dbraw/zinc/24/21/13/611242113.db2.gz MPKHNILLYWPNBP-DFGXFYAUSA-N 2 1 329.400 0.804 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000929566893 611765636 /nfs/dbraw/zinc/76/56/36/611765636.db2.gz GXBKKEKYICURLG-IAGOWNOFSA-N 2 1 346.475 0.285 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC000949189308 611894505 /nfs/dbraw/zinc/89/45/05/611894505.db2.gz PKRRLBRXTJSQJF-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000952049165 612201827 /nfs/dbraw/zinc/20/18/27/612201827.db2.gz MAIKQRFBNIMGNV-IKGGRYGDSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000952049165 612201829 /nfs/dbraw/zinc/20/18/29/612201829.db2.gz MAIKQRFBNIMGNV-IKGGRYGDSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289234 733909932 /nfs/dbraw/zinc/90/99/32/733909932.db2.gz IDJVMMCMOQFIOA-KZNAEPCWSA-N 2 1 345.491 0.911 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104421223 735911489 /nfs/dbraw/zinc/91/14/89/735911489.db2.gz ILCZTLBGSJWJDU-GDBMZVCRSA-N 2 1 347.463 0.568 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500034 736924935 /nfs/dbraw/zinc/92/49/35/736924935.db2.gz OSPPWTZFWDNPAX-WPZCVXBKSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500034 736924941 /nfs/dbraw/zinc/92/49/41/736924941.db2.gz OSPPWTZFWDNPAX-WPZCVXBKSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500034 736924943 /nfs/dbraw/zinc/92/49/43/736924943.db2.gz OSPPWTZFWDNPAX-WPZCVXBKSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC001006443407 751389992 /nfs/dbraw/zinc/38/99/92/751389992.db2.gz CQEALACPTKGLNR-UHFFFAOYSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256703 741571779 /nfs/dbraw/zinc/57/17/79/741571779.db2.gz NWLXSAUJDBKYKR-QGZVFWFLSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259481 741581094 /nfs/dbraw/zinc/58/10/94/741581094.db2.gz AKVOLUBETWSRBJ-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312469 741729554 /nfs/dbraw/zinc/72/95/54/741729554.db2.gz NSBLKYFVOCBDMN-KBPBESRZSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312469 741729555 /nfs/dbraw/zinc/72/95/55/741729555.db2.gz NSBLKYFVOCBDMN-KBPBESRZSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326809 741805590 /nfs/dbraw/zinc/80/55/90/741805590.db2.gz GZMKCSOIWHDXDB-YOEHRIQHSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001026889507 742029561 /nfs/dbraw/zinc/02/95/61/742029561.db2.gz XKGKSMNPLQDQKM-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934280 742903289 /nfs/dbraw/zinc/90/32/89/742903289.db2.gz XWJACZHJLFSPAT-HOTGVXAUSA-N 2 1 346.475 0.307 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003509 743159198 /nfs/dbraw/zinc/15/91/98/743159198.db2.gz MUBPNDXHMWGMFN-SJORKVTESA-N 2 1 333.476 0.806 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC001029004384 743163066 /nfs/dbraw/zinc/16/30/66/743163066.db2.gz VUIFHOKEJVAFCO-HNNXBMFYSA-N 2 1 330.432 0.958 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC001029004384 743163068 /nfs/dbraw/zinc/16/30/68/743163068.db2.gz VUIFHOKEJVAFCO-HNNXBMFYSA-N 2 1 330.432 0.958 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001029004522 743164691 /nfs/dbraw/zinc/16/46/91/743164691.db2.gz YGWBQESLITZFAI-WBVHZDCISA-N 2 1 346.475 0.048 20 30 ECEDMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998586237 744244262 /nfs/dbraw/zinc/24/42/62/744244262.db2.gz PFSUAORDXTYGJJ-ABHNRTSZSA-N 2 1 342.443 0.968 20 30 ECEDMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998586237 744244265 /nfs/dbraw/zinc/24/42/65/744244265.db2.gz PFSUAORDXTYGJJ-ABHNRTSZSA-N 2 1 342.443 0.968 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813682 744356984 /nfs/dbraw/zinc/35/69/84/744356984.db2.gz XKSXJVLGDFTGRO-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000998813682 744356987 /nfs/dbraw/zinc/35/69/87/744356987.db2.gz XKSXJVLGDFTGRO-QZTJIDSGSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985331 745138321 /nfs/dbraw/zinc/13/83/21/745138321.db2.gz BFNHIHQGKXTCLO-HYVNUMGLSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985331 745138323 /nfs/dbraw/zinc/13/83/23/745138323.db2.gz BFNHIHQGKXTCLO-HYVNUMGLSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985331 745138326 /nfs/dbraw/zinc/13/83/26/745138326.db2.gz BFNHIHQGKXTCLO-HYVNUMGLSA-N 2 1 344.463 0.505 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999998116 745158595 /nfs/dbraw/zinc/15/85/95/745158595.db2.gz QWPHVVHFZNCWGI-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998116 745158598 /nfs/dbraw/zinc/15/85/98/745158598.db2.gz QWPHVVHFZNCWGI-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998116 745158602 /nfs/dbraw/zinc/15/86/02/745158602.db2.gz QWPHVVHFZNCWGI-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000034975 745210586 /nfs/dbraw/zinc/21/05/86/745210586.db2.gz LEGDOTJULACTJM-INIZCTEOSA-N 2 1 342.447 0.260 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045844 745226237 /nfs/dbraw/zinc/22/62/37/745226237.db2.gz RDRQQJDNNBBILK-GDBMZVCRSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045844 745226244 /nfs/dbraw/zinc/22/62/44/745226244.db2.gz RDRQQJDNNBBILK-GDBMZVCRSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045844 745226251 /nfs/dbraw/zinc/22/62/51/745226251.db2.gz RDRQQJDNNBBILK-GDBMZVCRSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656367 745348312 /nfs/dbraw/zinc/34/83/12/745348312.db2.gz PVZDARFUHFFMSY-UKRRQHHQSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656367 745348317 /nfs/dbraw/zinc/34/83/17/745348317.db2.gz PVZDARFUHFFMSY-UKRRQHHQSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000214410 745352436 /nfs/dbraw/zinc/35/24/36/745352436.db2.gz MWHMGJIQUYXVKL-RMXPPQQLSA-N 2 1 343.471 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660150 745353926 /nfs/dbraw/zinc/35/39/26/745353926.db2.gz YNXCIQQTQFUONT-HZPDHXFCSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)CC1 ZINC000977660150 745353930 /nfs/dbraw/zinc/35/39/30/745353930.db2.gz YNXCIQQTQFUONT-HZPDHXFCSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001001490819 746428495 /nfs/dbraw/zinc/42/84/95/746428495.db2.gz DQQPCAOCAYQGCQ-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001001490819 746428496 /nfs/dbraw/zinc/42/84/96/746428496.db2.gz DQQPCAOCAYQGCQ-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647911 746569665 /nfs/dbraw/zinc/56/96/65/746569665.db2.gz ZZSFDPDMRIPOKU-HFCFLWKCSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046281 747141324 /nfs/dbraw/zinc/14/13/24/747141324.db2.gz NGIIBGRMOPREAW-QGRXYFRJSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136035 747469508 /nfs/dbraw/zinc/46/95/08/747469508.db2.gz RQIFDNNIYSIMEF-AEFFLSMTSA-N 2 1 343.475 0.862 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000985476204 748218197 /nfs/dbraw/zinc/21/81/97/748218197.db2.gz OUFSUJCAIBGDEG-KRWDZBQOSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985476204 748218204 /nfs/dbraw/zinc/21/82/04/748218204.db2.gz OUFSUJCAIBGDEG-KRWDZBQOSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCn2cncn2)CC1 ZINC000985476204 748218209 /nfs/dbraw/zinc/21/82/09/748218209.db2.gz OUFSUJCAIBGDEG-KRWDZBQOSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCn2cncn2)CC1 ZINC000985476204 748218213 /nfs/dbraw/zinc/21/82/13/748218213.db2.gz OUFSUJCAIBGDEG-KRWDZBQOSA-N 2 1 344.463 0.299 20 30 ECEDMP C#CCNCc1cn([C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001098732838 749070177 /nfs/dbraw/zinc/07/01/77/749070177.db2.gz AAGXWWUXANDKBT-INIZCTEOSA-N 2 1 346.479 0.752 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001004149945 749263116 /nfs/dbraw/zinc/26/31/16/749263116.db2.gz OMQDHQTUHGRFPA-HOCLYGCPSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001029904135 749534376 /nfs/dbraw/zinc/53/43/76/749534376.db2.gz NYQCTWQAPBNEFB-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262811277 749823377 /nfs/dbraw/zinc/82/33/77/749823377.db2.gz VDIKNBFRAAGKDN-INIZCTEOSA-N 2 1 338.496 0.911 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153500 750088132 /nfs/dbraw/zinc/08/81/32/750088132.db2.gz LGPRORLNAKZYTO-AWEZNQCLSA-N 2 1 345.447 0.206 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NC[C@](C)(O)c1cccs1 ZINC000261747320 753178601 /nfs/dbraw/zinc/17/86/01/753178601.db2.gz NBZDQJFIXZRSKD-CJNGLKHVSA-N 2 1 339.509 0.366 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000989064717 753202129 /nfs/dbraw/zinc/20/21/29/753202129.db2.gz JZYVOKRIZXXBNJ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000989064717 753202133 /nfs/dbraw/zinc/20/21/33/753202133.db2.gz JZYVOKRIZXXBNJ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000989064717 753202137 /nfs/dbraw/zinc/20/21/37/753202137.db2.gz JZYVOKRIZXXBNJ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000989064717 753202141 /nfs/dbraw/zinc/20/21/41/753202141.db2.gz JZYVOKRIZXXBNJ-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001028601722 753882646 /nfs/dbraw/zinc/88/26/46/753882646.db2.gz UEFSREZMCYYIMF-WBVHZDCISA-N 2 1 329.448 0.456 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)nn1 ZINC001105376710 754047145 /nfs/dbraw/zinc/04/71/45/754047145.db2.gz CXGUCTYATORKEZ-ZIAGYGMSSA-N 2 1 332.452 0.810 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]Cc3cnon3)CC2)CC1 ZINC001168307425 754256555 /nfs/dbraw/zinc/25/65/55/754256555.db2.gz HRHTUGKLXQTJGT-UHFFFAOYSA-N 2 1 345.447 0.791 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC000989829110 754498590 /nfs/dbraw/zinc/49/85/90/754498590.db2.gz OGJSSBHDSXUAAJ-ZBFHGGJFSA-N 2 1 344.463 0.239 20 30 ECEDMP CCOC(=O)[C@@H]1CCCN(C(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000088645735 754574892 /nfs/dbraw/zinc/57/48/92/754574892.db2.gz WUMUCTMAXBCWSH-HUUCEWRRSA-N 2 1 339.484 0.083 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627829 755087490 /nfs/dbraw/zinc/08/74/90/755087490.db2.gz NSUIZFSQPBCNED-WMZOPIPTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)CC1 ZINC001021470056 757484181 /nfs/dbraw/zinc/48/41/81/757484181.db2.gz UGJJXTQJDDBFTA-LNRIEFBSSA-N 2 1 346.475 0.317 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000996726696 758641361 /nfs/dbraw/zinc/64/13/61/758641361.db2.gz ZDRBIRARDVMVQJ-IAGOWNOFSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271328 768041732 /nfs/dbraw/zinc/04/17/32/768041732.db2.gz BEQZNPQOOZHPQY-ZACQAIPSSA-N 2 1 348.491 0.294 20 30 ECEDMP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052029052 763624534 /nfs/dbraw/zinc/62/45/34/763624534.db2.gz WVZWADHFIUBQIZ-IAGOWNOFSA-N 2 1 331.464 0.070 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001031948329 763735003 /nfs/dbraw/zinc/73/50/03/763735003.db2.gz VGCNIZGTBFJWIP-MRXNPFEDSA-N 2 1 334.464 0.163 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604114 763817343 /nfs/dbraw/zinc/81/73/43/763817343.db2.gz TUGMHVDUGWZGLZ-PKOBYXMFSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941604114 763817354 /nfs/dbraw/zinc/81/73/54/763817354.db2.gz TUGMHVDUGWZGLZ-PKOBYXMFSA-N 2 1 344.503 0.855 20 30 ECEDMP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107550 763886368 /nfs/dbraw/zinc/88/63/68/763886368.db2.gz FOICJRYJJQCSOU-KRWDZBQOSA-N 2 1 330.476 0.324 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766760 764564685 /nfs/dbraw/zinc/56/46/85/764564685.db2.gz GRBKBTUNSOOIOB-RDJZCZTQSA-N 2 1 344.463 0.506 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC001052959492 765415872 /nfs/dbraw/zinc/41/58/72/765415872.db2.gz VSDUOPZEQUCUAV-MRXNPFEDSA-N 2 1 334.464 0.048 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106433186 768302162 /nfs/dbraw/zinc/30/21/62/768302162.db2.gz FDZDCXHVFQJMCG-VNQPRFMTSA-N 2 1 347.463 0.566 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004564 765703816 /nfs/dbraw/zinc/70/38/16/765703816.db2.gz ZAYYJBJUFBZPJJ-HUUCEWRRSA-N 2 1 332.448 0.060 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001016004564 765703822 /nfs/dbraw/zinc/70/38/22/765703822.db2.gz ZAYYJBJUFBZPJJ-HUUCEWRRSA-N 2 1 332.448 0.060 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC000992310886 766232234 /nfs/dbraw/zinc/23/22/34/766232234.db2.gz NDXUSNRLKPBXHS-AEFFLSMTSA-N 2 1 329.448 0.805 20 30 ECEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254974 766605882 /nfs/dbraw/zinc/60/58/82/766605882.db2.gz GZQCZRBQHBTJQA-HOTGVXAUSA-N 2 1 349.479 0.329 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)CC2)C1 ZINC001046036331 766725851 /nfs/dbraw/zinc/72/58/51/766725851.db2.gz HEZMLCBMAGAMTK-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)CC2)C1 ZINC001046036331 766725857 /nfs/dbraw/zinc/72/58/57/766725857.db2.gz HEZMLCBMAGAMTK-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)CC2)C1 ZINC001046036331 766725866 /nfs/dbraw/zinc/72/58/66/766725866.db2.gz HEZMLCBMAGAMTK-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)CC2)C1 ZINC001046036331 766725875 /nfs/dbraw/zinc/72/58/75/766725875.db2.gz HEZMLCBMAGAMTK-OALUTQOASA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001046036203 766726196 /nfs/dbraw/zinc/72/61/96/766726196.db2.gz CNUVFHVXIRGYPE-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC001046036203 766726198 /nfs/dbraw/zinc/72/61/98/766726198.db2.gz CNUVFHVXIRGYPE-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046036203 766726200 /nfs/dbraw/zinc/72/62/00/766726200.db2.gz CNUVFHVXIRGYPE-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046036203 766726204 /nfs/dbraw/zinc/72/62/04/766726204.db2.gz CNUVFHVXIRGYPE-OALUTQOASA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042865 766757849 /nfs/dbraw/zinc/75/78/49/766757849.db2.gz OIDOANPXCPGGFP-SFHVURJKSA-N 2 1 344.503 0.857 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064455 766843877 /nfs/dbraw/zinc/84/38/77/766843877.db2.gz NQOGBQQTCSPROP-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064455 766843887 /nfs/dbraw/zinc/84/38/87/766843887.db2.gz NQOGBQQTCSPROP-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064455 766843898 /nfs/dbraw/zinc/84/38/98/766843898.db2.gz NQOGBQQTCSPROP-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001046066735 766854988 /nfs/dbraw/zinc/85/49/88/766854988.db2.gz PXWSSVLQXXWHJN-KRWDZBQOSA-N 2 1 343.475 0.858 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC001046066735 766854996 /nfs/dbraw/zinc/85/49/96/766854996.db2.gz PXWSSVLQXXWHJN-KRWDZBQOSA-N 2 1 343.475 0.858 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031742946 767006956 /nfs/dbraw/zinc/00/69/56/767006956.db2.gz YAWFZMWHOMMYOX-SJORKVTESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031742946 767006963 /nfs/dbraw/zinc/00/69/63/767006963.db2.gz YAWFZMWHOMMYOX-SJORKVTESA-N 2 1 333.476 0.947 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731481 768416300 /nfs/dbraw/zinc/41/63/00/768416300.db2.gz AMGOAGWSTZGVIZ-UAGQMJEPSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731481 768416302 /nfs/dbraw/zinc/41/63/02/768416302.db2.gz AMGOAGWSTZGVIZ-UAGQMJEPSA-N 2 1 332.448 0.881 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357097 768465082 /nfs/dbraw/zinc/46/50/82/768465082.db2.gz RMZPERLRUJHFAD-HNNXBMFYSA-N 2 1 336.480 0.649 20 30 ECEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055540140 769060700 /nfs/dbraw/zinc/06/07/00/769060700.db2.gz IXXZRCQQQMZCEJ-INIZCTEOSA-N 2 1 336.480 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001018985990 770484008 /nfs/dbraw/zinc/48/40/08/770484008.db2.gz PHCUFFDUKXFUPZ-IRXDYDNUSA-N 2 1 342.443 0.173 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001018985990 770484012 /nfs/dbraw/zinc/48/40/12/770484012.db2.gz PHCUFFDUKXFUPZ-IRXDYDNUSA-N 2 1 342.443 0.173 20 30 ECEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001019032471 770609499 /nfs/dbraw/zinc/60/94/99/770609499.db2.gz YWRLGULZIMFYQW-FHLIZLRMSA-N 2 1 342.443 0.968 20 30 ECEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001019032471 770609503 /nfs/dbraw/zinc/60/95/03/770609503.db2.gz YWRLGULZIMFYQW-FHLIZLRMSA-N 2 1 342.443 0.968 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001020250300 772349842 /nfs/dbraw/zinc/34/98/42/772349842.db2.gz AHJKKHKUAXFFMN-ULQDDVLXSA-N 2 1 329.448 0.563 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001020250300 772349848 /nfs/dbraw/zinc/34/98/48/772349848.db2.gz AHJKKHKUAXFFMN-ULQDDVLXSA-N 2 1 329.448 0.563 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963253 784242032 /nfs/dbraw/zinc/24/20/32/784242032.db2.gz JHUCIMWINRCZHX-KRWDZBQOSA-N 2 1 348.491 0.555 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963254 784242368 /nfs/dbraw/zinc/24/23/68/784242368.db2.gz JHUCIMWINRCZHX-QGZVFWFLSA-N 2 1 348.491 0.555 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001070974978 784287104 /nfs/dbraw/zinc/28/71/04/784287104.db2.gz AJKJRLKWOIYMHA-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070974978 784287110 /nfs/dbraw/zinc/28/71/10/784287110.db2.gz AJKJRLKWOIYMHA-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001070974978 784287116 /nfs/dbraw/zinc/28/71/16/784287116.db2.gz AJKJRLKWOIYMHA-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001070974978 784287122 /nfs/dbraw/zinc/28/71/22/784287122.db2.gz AJKJRLKWOIYMHA-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096253 785661253 /nfs/dbraw/zinc/66/12/53/785661253.db2.gz WAGSGYQMQBUWKG-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096253 785661260 /nfs/dbraw/zinc/66/12/60/785661260.db2.gz WAGSGYQMQBUWKG-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749247 787125276 /nfs/dbraw/zinc/12/52/76/787125276.db2.gz UQRMCNHIMWUYLL-FUHWJXTLSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749247 787125280 /nfs/dbraw/zinc/12/52/80/787125280.db2.gz UQRMCNHIMWUYLL-FUHWJXTLSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCOC2)C3)CC1 ZINC001073457494 789865631 /nfs/dbraw/zinc/86/56/31/789865631.db2.gz SPEIBBQAOGPTDR-KRWDZBQOSA-N 2 1 345.487 0.902 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001267566934 837785888 /nfs/dbraw/zinc/78/58/88/837785888.db2.gz KLLOWXCZDGMPEK-HOCLYGCPSA-N 2 1 345.447 0.567 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326055 835703197 /nfs/dbraw/zinc/70/31/97/835703197.db2.gz XDVRTURILJGYFJ-CVEARBPZSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266326055 835703201 /nfs/dbraw/zinc/70/32/01/835703201.db2.gz XDVRTURILJGYFJ-CVEARBPZSA-N 2 1 348.491 0.744 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361875 835772625 /nfs/dbraw/zinc/77/26/25/835772625.db2.gz UEYGQOBAVLOUPL-RDJZCZTQSA-N 2 1 346.475 0.213 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361875 835772634 /nfs/dbraw/zinc/77/26/34/835772634.db2.gz UEYGQOBAVLOUPL-RDJZCZTQSA-N 2 1 346.475 0.213 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266559550 835987241 /nfs/dbraw/zinc/98/72/41/835987241.db2.gz DPYKZRJBFXADCM-SJORKVTESA-N 2 1 348.491 0.719 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266751026 836242228 /nfs/dbraw/zinc/24/22/28/836242228.db2.gz ASLIIEBXAUWNML-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751026 836242240 /nfs/dbraw/zinc/24/22/40/836242240.db2.gz ASLIIEBXAUWNML-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751026 836242255 /nfs/dbraw/zinc/24/22/55/836242255.db2.gz ASLIIEBXAUWNML-CVEARBPZSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758117 836254550 /nfs/dbraw/zinc/25/45/50/836254550.db2.gz NYUGNGXOMAQGQI-HZPDHXFCSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898362 836450546 /nfs/dbraw/zinc/45/05/46/836450546.db2.gz VHBOGSLSUPITQO-HZPDHXFCSA-N 2 1 334.464 0.048 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267266567 837103423 /nfs/dbraw/zinc/10/34/23/837103423.db2.gz GTHMARJXTAGZCA-CVEARBPZSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267266567 837103428 /nfs/dbraw/zinc/10/34/28/837103428.db2.gz GTHMARJXTAGZCA-CVEARBPZSA-N 2 1 334.464 0.211 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267302531 837167550 /nfs/dbraw/zinc/16/75/50/837167550.db2.gz FPPRHHQKEUQIQF-OAHLLOKOSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267302531 837167553 /nfs/dbraw/zinc/16/75/53/837167553.db2.gz FPPRHHQKEUQIQF-OAHLLOKOSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267302531 837167556 /nfs/dbraw/zinc/16/75/56/837167556.db2.gz FPPRHHQKEUQIQF-OAHLLOKOSA-N 2 1 336.480 0.152 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001267989661 838934425 /nfs/dbraw/zinc/93/44/25/838934425.db2.gz NGZQOGBPGQCHJC-RDJZCZTQSA-N 2 1 331.464 0.402 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001267989661 838934432 /nfs/dbraw/zinc/93/44/32/838934432.db2.gz NGZQOGBPGQCHJC-RDJZCZTQSA-N 2 1 331.464 0.402 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267991137 838934522 /nfs/dbraw/zinc/93/45/22/838934522.db2.gz ZQXBSELVBDTHOD-NVXWUHKLSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001268045680 839209903 /nfs/dbraw/zinc/20/99/03/839209903.db2.gz FXDPJIDUQBUCCR-INIZCTEOSA-N 2 1 348.491 0.391 20 30 ECEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268063170 839248284 /nfs/dbraw/zinc/24/82/84/839248284.db2.gz IENAOCXCDUEXJH-WMLDXEAASA-N 2 1 347.463 0.876 20 30 ECEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001268063170 839248291 /nfs/dbraw/zinc/24/82/91/839248291.db2.gz IENAOCXCDUEXJH-WMLDXEAASA-N 2 1 347.463 0.876 20 30 ECEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000333844895 270005863 /nfs/dbraw/zinc/00/58/63/270005863.db2.gz OZJBGJVHGWWIQP-PIIMJCKOSA-N 2 1 339.443 0.993 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000343631919 437607495 /nfs/dbraw/zinc/60/74/95/437607495.db2.gz BUKMBEUQQHLOEJ-UHFFFAOYSA-N 2 1 336.480 0.744 20 30 ECEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261665060 436881748 /nfs/dbraw/zinc/88/17/48/436881748.db2.gz GGVSRLXKSBUVKE-ZDUSSCGKSA-N 2 1 349.435 0.108 20 30 ECEDMP C[C@H]1C[NH+]=C(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)N1 ZINC000262669745 436940849 /nfs/dbraw/zinc/94/08/49/436940849.db2.gz QLWGLSXPLTUUOV-AWEZNQCLSA-N 2 1 345.447 0.785 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000264121753 437017238 /nfs/dbraw/zinc/01/72/38/437017238.db2.gz VGUBMCMTIOHVTK-UHFFFAOYSA-N 2 1 349.479 0.746 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000264306866 437017975 /nfs/dbraw/zinc/01/79/75/437017975.db2.gz TWKQKMXIRLHNCB-HNNXBMFYSA-N 2 1 329.448 0.964 20 30 ECEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264077658 437015215 /nfs/dbraw/zinc/01/52/15/437015215.db2.gz HQRDNPRISYIGEK-HNNXBMFYSA-N 2 1 333.480 0.873 20 30 ECEDMP CN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000303969004 437156275 /nfs/dbraw/zinc/15/62/75/437156275.db2.gz BGRWLZMZZUETBE-UHFFFAOYSA-N 2 1 343.472 0.480 20 30 ECEDMP CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000193628334 437710153 /nfs/dbraw/zinc/71/01/53/437710153.db2.gz ATMADDDJMCMMGU-IXDOHACOSA-N 2 1 333.480 0.172 20 30 ECEDMP COC(=O)[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000375357076 438250493 /nfs/dbraw/zinc/25/04/93/438250493.db2.gz TTXWELMBCWCWFU-KLHDSHLOSA-N 2 1 336.432 0.472 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673347 439424403 /nfs/dbraw/zinc/42/44/03/439424403.db2.gz IJMXGALIGYKCBD-UKRRQHHQSA-N 2 1 347.381 0.399 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000730281957 578304676 /nfs/dbraw/zinc/30/46/76/578304676.db2.gz CHIZXWAOOSJHDD-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000730281957 578304677 /nfs/dbraw/zinc/30/46/77/578304677.db2.gz CHIZXWAOOSJHDD-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000730281957 578304678 /nfs/dbraw/zinc/30/46/78/578304678.db2.gz CHIZXWAOOSJHDD-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000730281957 578304679 /nfs/dbraw/zinc/30/46/79/578304679.db2.gz CHIZXWAOOSJHDD-HOTGVXAUSA-N 2 1 334.464 0.143 20 30 ECEDMP C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903777941 586814130 /nfs/dbraw/zinc/81/41/30/586814130.db2.gz GABVUTJZIQOILK-CWRNSKLLSA-N 2 1 347.463 0.032 20 30 ECEDMP C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903777941 586814132 /nfs/dbraw/zinc/81/41/32/586814132.db2.gz GABVUTJZIQOILK-CWRNSKLLSA-N 2 1 347.463 0.032 20 30 ECEDMP C[NH+]1CCC(N2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852863056 589519042 /nfs/dbraw/zinc/51/90/42/589519042.db2.gz JQMYJSVEWVLPPU-UHFFFAOYSA-N 2 1 332.492 0.664 20 30 ECEDMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876770909 590412375 /nfs/dbraw/zinc/41/23/75/590412375.db2.gz KMFSFGOXWIKWFB-QGZVFWFLSA-N 2 1 330.432 0.830 20 30 ECEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884180232 590765259 /nfs/dbraw/zinc/76/52/59/590765259.db2.gz QQGCOUJKVXVMDO-GARNVTTQSA-N 2 1 334.464 0.599 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000890360828 591150653 /nfs/dbraw/zinc/15/06/53/591150653.db2.gz CSMCYXOKFPUKBQ-IAGOWNOFSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000890360828 591150657 /nfs/dbraw/zinc/15/06/57/591150657.db2.gz CSMCYXOKFPUKBQ-IAGOWNOFSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000890361723 591151104 /nfs/dbraw/zinc/15/11/04/591151104.db2.gz YLDOUXQEGREYRP-QGZVFWFLSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000890361723 591151105 /nfs/dbraw/zinc/15/11/05/591151105.db2.gz YLDOUXQEGREYRP-QGZVFWFLSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367996 591152664 /nfs/dbraw/zinc/15/26/64/591152664.db2.gz ZSZXHCLZIQHWML-HOTGVXAUSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367996 591152665 /nfs/dbraw/zinc/15/26/65/591152665.db2.gz ZSZXHCLZIQHWML-HOTGVXAUSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367996 591152667 /nfs/dbraw/zinc/15/26/67/591152667.db2.gz ZSZXHCLZIQHWML-HOTGVXAUSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000890367996 591152669 /nfs/dbraw/zinc/15/26/69/591152669.db2.gz ZSZXHCLZIQHWML-HOTGVXAUSA-N 2 1 336.480 0.571 20 30 ECEDMP C(#CC[N@H+]1CC[C@H](C2OCCO2)C1)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000931997102 611592061 /nfs/dbraw/zinc/59/20/61/611592061.db2.gz AZVZOHPHWGLSKZ-HOTGVXAUSA-N 2 1 336.432 0.379 20 30 ECEDMP C(#CC[N@H+]1CC[C@@H](C2OCCO2)C1)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000931997104 611592214 /nfs/dbraw/zinc/59/22/14/611592214.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 2 1 336.432 0.379 20 30 ECEDMP C(#CC[N@@H+]1CC[C@H](C2OCCO2)C1)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000931997104 611592216 /nfs/dbraw/zinc/59/22/16/611592216.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 2 1 336.432 0.379 20 30 ECEDMP C(#CC[N@H+]1CC[C@H](C2OCCO2)C1)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000931997104 611592219 /nfs/dbraw/zinc/59/22/19/611592219.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 2 1 336.432 0.379 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928433286 611688068 /nfs/dbraw/zinc/68/80/68/611688068.db2.gz SJIVBYQSEWONHX-QTKYJZQCSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928433286 611688069 /nfs/dbraw/zinc/68/80/69/611688069.db2.gz SJIVBYQSEWONHX-QTKYJZQCSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000928433286 611688070 /nfs/dbraw/zinc/68/80/70/611688070.db2.gz SJIVBYQSEWONHX-QTKYJZQCSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000913333977 609665833 /nfs/dbraw/zinc/66/58/33/609665833.db2.gz FZZHQYYAJRXIFO-CAOSSQGBSA-N 2 1 334.464 0.209 20 30 ECEDMP CC(C)[N@H+]1CC[C@@H](C(=O)NCC#CC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523715 609684225 /nfs/dbraw/zinc/68/42/25/609684225.db2.gz JRMRICWJSJMGPB-MSOLQXFVSA-N 2 1 345.491 0.915 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000939731559 610110909 /nfs/dbraw/zinc/11/09/09/610110909.db2.gz MDHKPHQGPZQXCF-ULQDDVLXSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000939731559 610110910 /nfs/dbraw/zinc/11/09/10/610110910.db2.gz MDHKPHQGPZQXCF-ULQDDVLXSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941433248 610313630 /nfs/dbraw/zinc/31/36/30/610313630.db2.gz SWONTUVMCCLBKX-SFHVURJKSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433248 610313632 /nfs/dbraw/zinc/31/36/32/610313632.db2.gz SWONTUVMCCLBKX-SFHVURJKSA-N 2 1 346.519 0.816 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000944028179 611089271 /nfs/dbraw/zinc/08/92/71/611089271.db2.gz DQACONIZLNDIJN-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000944028179 611089273 /nfs/dbraw/zinc/08/92/73/611089273.db2.gz DQACONIZLNDIJN-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000944028179 611089276 /nfs/dbraw/zinc/08/92/76/611089276.db2.gz DQACONIZLNDIJN-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000944028179 611089279 /nfs/dbraw/zinc/08/92/79/611089279.db2.gz DQACONIZLNDIJN-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC000944028179 611089282 /nfs/dbraw/zinc/08/92/82/611089282.db2.gz DQACONIZLNDIJN-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC)[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922155646 611340337 /nfs/dbraw/zinc/34/03/37/611340337.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC ZINC000922155646 611340339 /nfs/dbraw/zinc/34/03/39/611340339.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC)[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC ZINC000922155646 611340341 /nfs/dbraw/zinc/34/03/41/611340341.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnns3)C2)CC1 ZINC000970792650 733943651 /nfs/dbraw/zinc/94/36/51/733943651.db2.gz QZZMHKORQHOCTB-CQSZACIVSA-N 2 1 333.461 0.574 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nncn3C)C2)CC1 ZINC000970792724 733943775 /nfs/dbraw/zinc/94/37/75/733943775.db2.gz SOEIYOSMRUVCHV-GOEBONIOSA-N 2 1 344.463 0.412 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC000971703679 734965149 /nfs/dbraw/zinc/96/51/49/734965149.db2.gz LBCFZYQNNSNWGZ-SJORKVTESA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC000971703679 734965151 /nfs/dbraw/zinc/96/51/51/734965151.db2.gz LBCFZYQNNSNWGZ-SJORKVTESA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCn2cccn2)C1 ZINC000971703679 734965155 /nfs/dbraw/zinc/96/51/55/734965155.db2.gz LBCFZYQNNSNWGZ-SJORKVTESA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCn2cccn2)C1 ZINC000971703679 734965157 /nfs/dbraw/zinc/96/51/57/734965157.db2.gz LBCFZYQNNSNWGZ-SJORKVTESA-N 2 1 329.448 0.513 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC001023128463 736523557 /nfs/dbraw/zinc/52/35/57/736523557.db2.gz FZFKXILNVYNJEB-GASCZTMLSA-N 2 1 331.420 0.460 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001023130951 736526358 /nfs/dbraw/zinc/52/63/58/736526358.db2.gz OUWTVPQQWXAPBD-TWMKSMIVSA-N 2 1 348.491 0.885 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617151 737104960 /nfs/dbraw/zinc/10/49/60/737104960.db2.gz NOCYVOOPMNJCGT-IBGZPJMESA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617151 737104966 /nfs/dbraw/zinc/10/49/66/737104966.db2.gz NOCYVOOPMNJCGT-IBGZPJMESA-N 2 1 349.475 0.424 20 30 ECEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640519 737129007 /nfs/dbraw/zinc/12/90/07/737129007.db2.gz HSBQARSQVLJLJL-INIZCTEOSA-N 2 1 331.464 0.910 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001024021951 737626475 /nfs/dbraw/zinc/62/64/75/737626475.db2.gz MVKBUEOEHWKEBB-HOTGVXAUSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncnn2C)C1 ZINC001024021951 737626478 /nfs/dbraw/zinc/62/64/78/737626478.db2.gz MVKBUEOEHWKEBB-HOTGVXAUSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+]([C@H](C)C(N)=O)CC2)CC1 ZINC001006443533 751390300 /nfs/dbraw/zinc/39/03/00/751390300.db2.gz GCBZNSMWNMJFCT-CQSZACIVSA-N 2 1 334.464 0.128 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000974147743 741007055 /nfs/dbraw/zinc/00/70/55/741007055.db2.gz LXULVWVTMGBVPO-YESZJQIVSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000974189866 741079180 /nfs/dbraw/zinc/07/91/80/741079180.db2.gz JRYCBOJDXXVCHQ-UUAJXVIYSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000974189866 741079186 /nfs/dbraw/zinc/07/91/86/741079186.db2.gz JRYCBOJDXXVCHQ-UUAJXVIYSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974189866 741079191 /nfs/dbraw/zinc/07/91/91/741079191.db2.gz JRYCBOJDXXVCHQ-UUAJXVIYSA-N 2 1 346.475 0.188 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000974189866 741079193 /nfs/dbraw/zinc/07/91/93/741079193.db2.gz JRYCBOJDXXVCHQ-UUAJXVIYSA-N 2 1 346.475 0.188 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)nn1 ZINC001105268508 741610876 /nfs/dbraw/zinc/61/08/76/741610876.db2.gz QHURMIWIBDPUCR-NVXWUHKLSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268508 741610877 /nfs/dbraw/zinc/61/08/77/741610877.db2.gz QHURMIWIBDPUCR-NVXWUHKLSA-N 2 1 344.463 0.954 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC001026894269 742040263 /nfs/dbraw/zinc/04/02/63/742040263.db2.gz ZBMVAMYFRRHNPT-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC001026894269 742040268 /nfs/dbraw/zinc/04/02/68/742040268.db2.gz ZBMVAMYFRRHNPT-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP CC[NH+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261972085 743225272 /nfs/dbraw/zinc/22/52/72/743225272.db2.gz NJGUQQBOGAWJAK-KRWDZBQOSA-N 2 1 334.512 0.168 20 30 ECEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261972982 743231934 /nfs/dbraw/zinc/23/19/34/743231934.db2.gz NEVJTFLVVCGDDI-CQSZACIVSA-N 2 1 344.525 0.803 20 30 ECEDMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998584265 744242802 /nfs/dbraw/zinc/24/28/02/744242802.db2.gz DDOOKGXQXRXUQD-ABHNRTSZSA-N 2 1 342.443 0.968 20 30 ECEDMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998584265 744242808 /nfs/dbraw/zinc/24/28/08/744242808.db2.gz DDOOKGXQXRXUQD-ABHNRTSZSA-N 2 1 342.443 0.968 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987977 745143671 /nfs/dbraw/zinc/14/36/71/745143671.db2.gz RQUIBDDTCLTRSN-SJORKVTESA-N 2 1 342.447 0.116 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991323 745148495 /nfs/dbraw/zinc/14/84/95/745148495.db2.gz KZAJNDUMRLYVBJ-VNQPRFMTSA-N 2 1 348.451 0.046 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991323 745148498 /nfs/dbraw/zinc/14/84/98/745148498.db2.gz KZAJNDUMRLYVBJ-VNQPRFMTSA-N 2 1 348.451 0.046 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991323 745148499 /nfs/dbraw/zinc/14/84/99/745148499.db2.gz KZAJNDUMRLYVBJ-VNQPRFMTSA-N 2 1 348.451 0.046 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991323 745148501 /nfs/dbraw/zinc/14/85/01/745148501.db2.gz KZAJNDUMRLYVBJ-VNQPRFMTSA-N 2 1 348.451 0.046 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000034421 745209084 /nfs/dbraw/zinc/20/90/84/745209084.db2.gz HIXFQEQWDOVLMU-INIZCTEOSA-N 2 1 344.463 0.813 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000983904022 745483506 /nfs/dbraw/zinc/48/35/06/745483506.db2.gz JRPMCTIUQGKTNF-XIRDDKMYSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000983904022 745483508 /nfs/dbraw/zinc/48/35/08/745483508.db2.gz JRPMCTIUQGKTNF-XIRDDKMYSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075803913 745746013 /nfs/dbraw/zinc/74/60/13/745746013.db2.gz JZDHIEYDWHXLKW-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC000978147365 745980027 /nfs/dbraw/zinc/98/00/27/745980027.db2.gz MRSYNAAXXFDKCZ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC000978147365 745980028 /nfs/dbraw/zinc/98/00/28/745980028.db2.gz MRSYNAAXXFDKCZ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000978147365 745980030 /nfs/dbraw/zinc/98/00/30/745980030.db2.gz MRSYNAAXXFDKCZ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000978147365 745980031 /nfs/dbraw/zinc/98/00/31/745980031.db2.gz MRSYNAAXXFDKCZ-BBWFWOEESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001002825745 747838136 /nfs/dbraw/zinc/83/81/36/747838136.db2.gz GNNNRDYRUCZIPV-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001002825745 747838145 /nfs/dbraw/zinc/83/81/45/747838145.db2.gz GNNNRDYRUCZIPV-KRWDZBQOSA-N 2 1 346.475 0.000 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157551 748241738 /nfs/dbraw/zinc/24/17/38/748241738.db2.gz AYBPWHWTCCEIMJ-IRXDYDNUSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000979968662 748762065 /nfs/dbraw/zinc/76/20/65/748762065.db2.gz UREMCBLGKCTTBC-ULQDDVLXSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001029909347 749560250 /nfs/dbraw/zinc/56/02/50/749560250.db2.gz LKRRVWXDTROIET-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCn2cncn2)CC1 ZINC001028332987 752401542 /nfs/dbraw/zinc/40/15/42/752401542.db2.gz ANTKFSOMNGTTEE-KRWDZBQOSA-N 2 1 344.463 0.204 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644635 752583347 /nfs/dbraw/zinc/58/33/47/752583347.db2.gz CPIYQHXKNXKFME-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644635 752583356 /nfs/dbraw/zinc/58/33/56/752583356.db2.gz CPIYQHXKNXKFME-JKSUJKDBSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982651398 753220510 /nfs/dbraw/zinc/22/05/10/753220510.db2.gz LJGOZSKANLDBFO-KDURUIRLSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982651398 753220517 /nfs/dbraw/zinc/22/05/17/753220517.db2.gz LJGOZSKANLDBFO-KDURUIRLSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001028604092 753901936 /nfs/dbraw/zinc/90/19/36/753901936.db2.gz QLFGSDYCPZECLV-SJORKVTESA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001028604092 753901941 /nfs/dbraw/zinc/90/19/41/753901941.db2.gz QLFGSDYCPZECLV-SJORKVTESA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001028604092 753901942 /nfs/dbraw/zinc/90/19/42/753901942.db2.gz QLFGSDYCPZECLV-SJORKVTESA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001028604092 753901946 /nfs/dbraw/zinc/90/19/46/753901946.db2.gz QLFGSDYCPZECLV-SJORKVTESA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001028604092 753901951 /nfs/dbraw/zinc/90/19/51/753901951.db2.gz QLFGSDYCPZECLV-SJORKVTESA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001009624874 755083255 /nfs/dbraw/zinc/08/32/55/755083255.db2.gz BGZVFVBPULDYOM-DLBZAZTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001009624874 755083259 /nfs/dbraw/zinc/08/32/59/755083259.db2.gz BGZVFVBPULDYOM-DLBZAZTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000983315444 755170703 /nfs/dbraw/zinc/17/07/03/755170703.db2.gz RYIKSFBDHAKFSP-IKGGRYGDSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000983315444 755170704 /nfs/dbraw/zinc/17/07/04/755170704.db2.gz RYIKSFBDHAKFSP-IKGGRYGDSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1=O ZINC000983324098 755212599 /nfs/dbraw/zinc/21/25/99/755212599.db2.gz ZHXKXVZKOVDZDC-FPCVCCKLSA-N 2 1 334.464 0.352 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001098690855 755328483 /nfs/dbraw/zinc/32/84/83/755328483.db2.gz VAIAAADHEKVEKY-MRXNPFEDSA-N 2 1 343.435 0.922 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472595 755591858 /nfs/dbraw/zinc/59/18/58/755591858.db2.gz GQVBJASQYTZKCT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083472595 755591861 /nfs/dbraw/zinc/59/18/61/755591861.db2.gz GQVBJASQYTZKCT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472595 755591865 /nfs/dbraw/zinc/59/18/65/755591865.db2.gz GQVBJASQYTZKCT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083472595 755591867 /nfs/dbraw/zinc/59/18/67/755591867.db2.gz GQVBJASQYTZKCT-PILAGYSTSA-N 2 1 342.443 0.560 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943922 757480061 /nfs/dbraw/zinc/48/00/61/757480061.db2.gz JRFSQFPLFJDIBW-FNYPPERVSA-N 2 1 331.460 0.816 20 30 ECEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943922 757480067 /nfs/dbraw/zinc/48/00/67/757480067.db2.gz JRFSQFPLFJDIBW-FNYPPERVSA-N 2 1 331.460 0.816 20 30 ECEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943922 757480075 /nfs/dbraw/zinc/48/00/75/757480075.db2.gz JRFSQFPLFJDIBW-FNYPPERVSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001022110036 758289898 /nfs/dbraw/zinc/28/98/98/758289898.db2.gz ZUGUVGICROVSIO-BQJWPVKWSA-N 2 1 348.491 0.740 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001051660622 762620054 /nfs/dbraw/zinc/62/00/54/762620054.db2.gz YMCKCNSLYORHAX-ROUUACIJSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001051660622 762620057 /nfs/dbraw/zinc/62/00/57/762620057.db2.gz YMCKCNSLYORHAX-ROUUACIJSA-N 2 1 342.443 0.496 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001022220744 758441808 /nfs/dbraw/zinc/44/18/08/758441808.db2.gz MKTLJDWVUDGVRI-DAYGRLMNSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001022220744 758441812 /nfs/dbraw/zinc/44/18/12/758441812.db2.gz MKTLJDWVUDGVRI-DAYGRLMNSA-N 2 1 342.443 0.925 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC001127779496 758622783 /nfs/dbraw/zinc/62/27/83/758622783.db2.gz MLJUZYGFHQUOEY-IAGOWNOFSA-N 2 1 328.416 0.627 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042634 759503854 /nfs/dbraw/zinc/50/38/54/759503854.db2.gz WFZVHKAEWXFOHP-OWCLPIDISA-N 2 1 336.480 0.149 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC)CC2 ZINC001050551212 760478083 /nfs/dbraw/zinc/47/80/83/760478083.db2.gz SBQCIENXOKSGTJ-CVEARBPZSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC)CC2 ZINC001050551212 760478087 /nfs/dbraw/zinc/47/80/87/760478087.db2.gz SBQCIENXOKSGTJ-CVEARBPZSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849104 763226707 /nfs/dbraw/zinc/22/67/07/763226707.db2.gz BFZMJVNALMGMKH-KXBFYZLASA-N 2 1 348.491 0.389 20 30 ECEDMP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001127702910 763612449 /nfs/dbraw/zinc/61/24/49/763612449.db2.gz MPOLNNLGWBITPN-CVEARBPZSA-N 2 1 344.463 0.560 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958079 764943667 /nfs/dbraw/zinc/94/36/67/764943667.db2.gz SZYWFXPMJXUYIL-FKVWROMMSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958079 764943670 /nfs/dbraw/zinc/94/36/70/764943670.db2.gz SZYWFXPMJXUYIL-FKVWROMMSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958079 764943675 /nfs/dbraw/zinc/94/36/75/764943675.db2.gz SZYWFXPMJXUYIL-FKVWROMMSA-N 2 1 343.471 0.986 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654546 765128403 /nfs/dbraw/zinc/12/84/03/765128403.db2.gz ZDSQCOSHGYUKFH-CVEARBPZSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654546 765128408 /nfs/dbraw/zinc/12/84/08/765128408.db2.gz ZDSQCOSHGYUKFH-CVEARBPZSA-N 2 1 334.464 0.306 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CCN(CC#N)CC2)C1 ZINC001052994214 765473075 /nfs/dbraw/zinc/47/30/75/765473075.db2.gz JYAMXTIXKCAFHN-RYQLBKOJSA-N 2 1 345.491 0.601 20 30 ECEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC#N)CC2)C1 ZINC001052994214 765473079 /nfs/dbraw/zinc/47/30/79/765473079.db2.gz JYAMXTIXKCAFHN-RYQLBKOJSA-N 2 1 345.491 0.601 20 30 ECEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)C1 ZINC001052994214 765473084 /nfs/dbraw/zinc/47/30/84/765473084.db2.gz JYAMXTIXKCAFHN-RYQLBKOJSA-N 2 1 345.491 0.601 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263261 765864263 /nfs/dbraw/zinc/86/42/63/765864263.db2.gz JSWIXAHKHUZBGH-DLBZAZTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263261 765864271 /nfs/dbraw/zinc/86/42/71/765864271.db2.gz JSWIXAHKHUZBGH-DLBZAZTESA-N 2 1 349.475 0.729 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338162 766146871 /nfs/dbraw/zinc/14/68/71/766146871.db2.gz XHMUMDSGUYXHDC-SJLPKXTDSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC001046034711 766715710 /nfs/dbraw/zinc/71/57/10/766715710.db2.gz XZRGOYAUBUZYSE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034711 766715715 /nfs/dbraw/zinc/71/57/15/766715715.db2.gz XZRGOYAUBUZYSE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC2)C1 ZINC001046034711 766715721 /nfs/dbraw/zinc/71/57/21/766715721.db2.gz XZRGOYAUBUZYSE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046037469 766733924 /nfs/dbraw/zinc/73/39/24/766733924.db2.gz QBCHVRIERQJRJN-ROUUACIJSA-N 2 1 334.508 0.814 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)CC1 ZINC000992513506 766752828 /nfs/dbraw/zinc/75/28/28/766752828.db2.gz VVMRNEDXQGXNIY-VQIMIIECSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC001042065425 782706799 /nfs/dbraw/zinc/70/67/99/782706799.db2.gz STUQSBQJNBRJCL-DOTOQJQBSA-N 2 1 329.448 0.614 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583594 769181844 /nfs/dbraw/zinc/18/18/44/769181844.db2.gz UDVLSRJGIRLXFP-SQWLQELKSA-N 2 1 349.479 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000993855249 769763297 /nfs/dbraw/zinc/76/32/97/769763297.db2.gz NDMMNFQEAUJSFQ-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046927333 770380937 /nfs/dbraw/zinc/38/09/37/770380937.db2.gz XIDWFNMDNOGCHW-KGLIPLIRSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046927333 770380945 /nfs/dbraw/zinc/38/09/45/770380945.db2.gz XIDWFNMDNOGCHW-KGLIPLIRSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927333 770380955 /nfs/dbraw/zinc/38/09/55/770380955.db2.gz XIDWFNMDNOGCHW-KGLIPLIRSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927333 770380967 /nfs/dbraw/zinc/38/09/67/770380967.db2.gz XIDWFNMDNOGCHW-KGLIPLIRSA-N 2 1 331.407 0.967 20 30 ECEDMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083749972 770562423 /nfs/dbraw/zinc/56/24/23/770562423.db2.gz ZKOCDNXHAZTZLT-MSOLQXFVSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083749972 770562425 /nfs/dbraw/zinc/56/24/25/770562425.db2.gz ZKOCDNXHAZTZLT-MSOLQXFVSA-N 2 1 342.443 0.561 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC[C@@H]3CCOC3)C2)CC1 ZINC001031435252 771070257 /nfs/dbraw/zinc/07/02/57/771070257.db2.gz VRCUTPPHUPPKNG-MRXNPFEDSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)CC(C)(C)C2)CC1 ZINC001089560844 771491573 /nfs/dbraw/zinc/49/15/73/771491573.db2.gz IKKUXUALZCCNJO-QGZVFWFLSA-N 2 1 335.492 0.931 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223972 783693210 /nfs/dbraw/zinc/69/32/10/783693210.db2.gz GMYVBYUUIVEEMR-ZACQAIPSSA-N 2 1 346.479 0.926 20 30 ECEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070946008 784189748 /nfs/dbraw/zinc/18/97/48/784189748.db2.gz LVKVEINTGXWGSZ-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070946008 784189752 /nfs/dbraw/zinc/18/97/52/784189752.db2.gz LVKVEINTGXWGSZ-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946008 784189757 /nfs/dbraw/zinc/18/97/57/784189757.db2.gz LVKVEINTGXWGSZ-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946008 784189759 /nfs/dbraw/zinc/18/97/59/784189759.db2.gz LVKVEINTGXWGSZ-MRXNPFEDSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603271 786752335 /nfs/dbraw/zinc/75/23/35/786752335.db2.gz BENKJKYJZMPWQU-INIZCTEOSA-N 2 1 349.479 0.842 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700512 787000525 /nfs/dbraw/zinc/00/05/25/787000525.db2.gz OGMSMPDVMMTZOI-VIHIWDAPSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700512 787000536 /nfs/dbraw/zinc/00/05/36/787000536.db2.gz OGMSMPDVMMTZOI-VIHIWDAPSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700512 787000552 /nfs/dbraw/zinc/00/05/52/787000552.db2.gz OGMSMPDVMMTZOI-VIHIWDAPSA-N 2 1 347.459 0.080 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896046 787465194 /nfs/dbraw/zinc/46/51/94/787465194.db2.gz JMSRDSGAQZAXDX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896046 787465197 /nfs/dbraw/zinc/46/51/97/787465197.db2.gz JMSRDSGAQZAXDX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896046 787465198 /nfs/dbraw/zinc/46/51/98/787465198.db2.gz JMSRDSGAQZAXDX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896046 787465201 /nfs/dbraw/zinc/46/52/01/787465201.db2.gz JMSRDSGAQZAXDX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC#CC)CCCO2)CC1 ZINC001073899590 787475349 /nfs/dbraw/zinc/47/53/49/787475349.db2.gz YDFGWJVCAATGAT-GOSISDBHSA-N 2 1 331.460 0.562 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)C1=O ZINC001074792924 787826403 /nfs/dbraw/zinc/82/64/03/787826403.db2.gz IEOYOZWIYJGULH-CAOSSQGBSA-N 2 1 334.464 0.447 20 30 ECEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001072852994 788966226 /nfs/dbraw/zinc/96/62/26/788966226.db2.gz WHDSGOCPCGBCHZ-UHFFFAOYSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001075376391 789298955 /nfs/dbraw/zinc/29/89/55/789298955.db2.gz SNCULIOLJAUDOP-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH2+]CC)nn2)C1 ZINC001075376391 789298959 /nfs/dbraw/zinc/29/89/59/789298959.db2.gz SNCULIOLJAUDOP-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CC)n2CC1 ZINC001069844758 790084882 /nfs/dbraw/zinc/08/48/82/790084882.db2.gz MJKXEULULUTUHS-CABCVRRESA-N 2 1 344.463 0.306 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2nnc(C[NH2+]CC)n2CC1 ZINC001069844758 790084888 /nfs/dbraw/zinc/08/48/88/790084888.db2.gz MJKXEULULUTUHS-CABCVRRESA-N 2 1 344.463 0.306 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267488376 837551899 /nfs/dbraw/zinc/55/18/99/837551899.db2.gz KZOXCDFDGLIOAC-MRXNPFEDSA-N 2 1 348.491 0.697 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267488376 837551905 /nfs/dbraw/zinc/55/19/05/837551905.db2.gz KZOXCDFDGLIOAC-MRXNPFEDSA-N 2 1 348.491 0.697 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001266599730 836031529 /nfs/dbraw/zinc/03/15/29/836031529.db2.gz UYCPFIKFYZUUTA-ULQDDVLXSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001266599730 836031533 /nfs/dbraw/zinc/03/15/33/836031533.db2.gz UYCPFIKFYZUUTA-ULQDDVLXSA-N 2 1 346.475 0.237 20 30 ECEDMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266666709 836105597 /nfs/dbraw/zinc/10/55/97/836105597.db2.gz AKBBSXAKFWABDX-INIZCTEOSA-N 2 1 334.395 0.576 20 30 ECEDMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666709 836105604 /nfs/dbraw/zinc/10/56/04/836105604.db2.gz AKBBSXAKFWABDX-INIZCTEOSA-N 2 1 334.395 0.576 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267071962 836716915 /nfs/dbraw/zinc/71/69/15/836716915.db2.gz ZTMZUZMQAAIOTB-CVEARBPZSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267071964 836717225 /nfs/dbraw/zinc/71/72/25/836717225.db2.gz ZTMZUZMQAAIOTB-HZPDHXFCSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274237 837117185 /nfs/dbraw/zinc/11/71/85/837117185.db2.gz MELYDFYXHSRBBI-HOTGVXAUSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N(C)CC)C1 ZINC001267585635 837860579 /nfs/dbraw/zinc/86/05/79/837860579.db2.gz YVMJAUGBODLBTQ-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(C)CC)C1 ZINC001267585635 837860590 /nfs/dbraw/zinc/86/05/90/837860590.db2.gz YVMJAUGBODLBTQ-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC(=O)N(C)CC)C1 ZINC001267585635 837860601 /nfs/dbraw/zinc/86/06/01/837860601.db2.gz YVMJAUGBODLBTQ-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC(=O)N(C)CC)C1 ZINC001267585635 837860616 /nfs/dbraw/zinc/86/06/16/837860616.db2.gz YVMJAUGBODLBTQ-SJORKVTESA-N 2 1 348.491 0.343 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267659269 838179255 /nfs/dbraw/zinc/17/92/55/838179255.db2.gz YGGPXTJECKJTMK-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267659269 838179261 /nfs/dbraw/zinc/17/92/61/838179261.db2.gz YGGPXTJECKJTMK-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267659269 838179265 /nfs/dbraw/zinc/17/92/65/838179265.db2.gz YGGPXTJECKJTMK-JKSUJKDBSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCCC)C1 ZINC001279242409 838473899 /nfs/dbraw/zinc/47/38/99/838473899.db2.gz RQMHWDIJXGDTHD-GPANFISMSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCCC)C1 ZINC001279242409 838473902 /nfs/dbraw/zinc/47/39/02/838473902.db2.gz RQMHWDIJXGDTHD-GPANFISMSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001267843489 838641456 /nfs/dbraw/zinc/64/14/56/838641456.db2.gz GJBNNKVDTPMTCQ-OAHLLOKOSA-N 2 1 334.464 0.096 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267962318 838876656 /nfs/dbraw/zinc/87/66/56/838876656.db2.gz CDOMUAZJODVLEB-LUKYLMHMSA-N 2 1 348.491 0.435 20 30 ECEDMP CN(CCC#N)C(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000092796439 282395617 /nfs/dbraw/zinc/39/56/17/282395617.db2.gz WPRPVUIKVBHYID-QGZVFWFLSA-N 2 1 335.496 0.850 20 30 ECEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352766528 280102126 /nfs/dbraw/zinc/10/21/26/280102126.db2.gz CUVQXXSGXBNOSS-SJLPKXTDSA-N 2 1 337.512 0.999 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(Cl)nc1 ZINC000156938600 436822469 /nfs/dbraw/zinc/82/24/69/436822469.db2.gz SYAREWGWZAFRDV-UHFFFAOYSA-N 2 1 325.844 0.904 20 30 ECEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCSC1 ZINC000262470028 436934983 /nfs/dbraw/zinc/93/49/83/436934983.db2.gz OPCFZGSLRJRNNJ-MRXNPFEDSA-N 2 1 349.508 0.351 20 30 ECEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N[C@H]1CCOc2ccccc21 ZINC000262794569 436941810 /nfs/dbraw/zinc/94/18/10/436941810.db2.gz OYGRIKQBBXLQQO-HOCLYGCPSA-N 2 1 331.464 0.921 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000283844061 437032628 /nfs/dbraw/zinc/03/26/28/437032628.db2.gz CNEHRAYJXRTOSD-UHFFFAOYSA-N 2 1 333.436 0.464 20 30 ECEDMP COCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264067313 437014733 /nfs/dbraw/zinc/01/47/33/437014733.db2.gz BWBOXCNKEIARAI-QGZVFWFLSA-N 2 1 333.480 0.916 20 30 ECEDMP COCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264067313 437014736 /nfs/dbraw/zinc/01/47/36/437014736.db2.gz BWBOXCNKEIARAI-QGZVFWFLSA-N 2 1 333.480 0.916 20 30 ECEDMP COCCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264067313 437014741 /nfs/dbraw/zinc/01/47/41/437014741.db2.gz BWBOXCNKEIARAI-QGZVFWFLSA-N 2 1 333.480 0.916 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC1CCCC1 ZINC000264063503 437015002 /nfs/dbraw/zinc/01/50/02/437015002.db2.gz DJPKGPAWXKRGHG-UHFFFAOYSA-N 2 1 331.468 0.836 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000267627144 437330538 /nfs/dbraw/zinc/33/05/38/437330538.db2.gz IYOGDYSVQMNCDZ-CYBMUJFWSA-N 2 1 330.436 0.718 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000329751711 437410111 /nfs/dbraw/zinc/41/01/11/437410111.db2.gz VVOOSGBPRFIGGD-DZGCQCFKSA-N 2 1 329.466 0.481 20 30 ECEDMP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)CC[N@H+]1CC(C)(C)O ZINC000329751693 437410255 /nfs/dbraw/zinc/41/02/55/437410255.db2.gz VVBKPSWQWRJEDU-CHWSQXEVSA-N 2 1 335.452 0.958 20 30 ECEDMP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC[N@@H+]1CC(C)(C)O ZINC000329751693 437410259 /nfs/dbraw/zinc/41/02/59/437410259.db2.gz VVBKPSWQWRJEDU-CHWSQXEVSA-N 2 1 335.452 0.958 20 30 ECEDMP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC[N@H+]1CC(C)(C)O ZINC000329751693 437410262 /nfs/dbraw/zinc/41/02/62/437410262.db2.gz VVBKPSWQWRJEDU-CHWSQXEVSA-N 2 1 335.452 0.958 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000343734641 437640074 /nfs/dbraw/zinc/64/00/74/437640074.db2.gz DANBSMZXFSWSKW-KRWDZBQOSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372331078 438069406 /nfs/dbraw/zinc/06/94/06/438069406.db2.gz NGUKCXFVUUPINH-QLFBSQMISA-N 2 1 338.452 0.477 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372331078 438069409 /nfs/dbraw/zinc/06/94/09/438069409.db2.gz NGUKCXFVUUPINH-QLFBSQMISA-N 2 1 338.452 0.477 20 30 ECEDMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1cccc(C#N)c1 ZINC000352779094 438474841 /nfs/dbraw/zinc/47/48/41/438474841.db2.gz NLBVDBYRYQRMPI-UHFFFAOYSA-N 2 1 343.475 0.744 20 30 ECEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCc1cccc(C#N)c1 ZINC000352779094 438474844 /nfs/dbraw/zinc/47/48/44/438474844.db2.gz NLBVDBYRYQRMPI-UHFFFAOYSA-N 2 1 343.475 0.744 20 30 ECEDMP COCCOCC[N@@H+](C)CCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000602094482 439011033 /nfs/dbraw/zinc/01/10/33/439011033.db2.gz ABVTXHWXWNCOOY-UHFFFAOYSA-N 2 1 326.441 0.075 20 30 ECEDMP C#CCNC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000491069221 439329237 /nfs/dbraw/zinc/32/92/37/439329237.db2.gz UTVONKFEYQQOLW-UHFFFAOYSA-N 2 1 334.464 0.002 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000491623550 439413825 /nfs/dbraw/zinc/41/38/25/439413825.db2.gz FWLBIJRWBGPFMJ-UHFFFAOYSA-N 2 1 329.448 0.518 20 30 ECEDMP C#CCN1CCN(C(=O)CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000491704309 439431190 /nfs/dbraw/zinc/43/11/90/439431190.db2.gz IMTGNWHYBBMPNR-KRWDZBQOSA-N 2 1 343.475 0.623 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000491818417 439457920 /nfs/dbraw/zinc/45/79/20/439457920.db2.gz YMWZUFKOTGCSOJ-UHFFFAOYSA-N 2 1 345.447 0.877 20 30 ECEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732608 439862677 /nfs/dbraw/zinc/86/26/77/439862677.db2.gz FOHYFIOLDXHIMD-FUHWJXTLSA-N 2 1 336.480 0.207 20 30 ECEDMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732611 439864667 /nfs/dbraw/zinc/86/46/67/439864667.db2.gz FOHYFIOLDXHIMD-WMZOPIPTSA-N 2 1 336.480 0.207 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335164 441015559 /nfs/dbraw/zinc/01/55/59/441015559.db2.gz GJPMKQHMEWRQMF-LSDHHAIUSA-N 2 1 346.479 0.689 20 30 ECEDMP C=C(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000620747679 546450358 /nfs/dbraw/zinc/45/03/58/546450358.db2.gz FIFULRWLGFMDMJ-HZPDHXFCSA-N 2 1 336.480 0.744 20 30 ECEDMP C=C(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000620747519 546450515 /nfs/dbraw/zinc/45/05/15/546450515.db2.gz BGZPGEZMEKPDCG-KLHDSHLOSA-N 2 1 336.480 0.455 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310006 548306465 /nfs/dbraw/zinc/30/64/65/548306465.db2.gz CHBKPNVVRPYKIT-KRWDZBQOSA-N 2 1 348.491 0.744 20 30 ECEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681340091 549249880 /nfs/dbraw/zinc/24/98/80/549249880.db2.gz XYGNEIKMIUWCLG-HZPDHXFCSA-N 2 1 334.464 0.191 20 30 ECEDMP C#C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCCO1 ZINC000776232977 579278362 /nfs/dbraw/zinc/27/83/62/579278362.db2.gz UUOCCRAZKSPHTD-IRXDYDNUSA-N 2 1 336.480 0.835 20 30 ECEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000764538036 579578273 /nfs/dbraw/zinc/57/82/73/579578273.db2.gz FTUQRGFCPFLJSU-INIZCTEOSA-N 2 1 331.464 0.826 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000896487698 586243036 /nfs/dbraw/zinc/24/30/36/586243036.db2.gz BOEJOOQQFQSOKH-BBWFWOEESA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000896487698 586243037 /nfs/dbraw/zinc/24/30/37/586243037.db2.gz BOEJOOQQFQSOKH-BBWFWOEESA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000896487698 586243039 /nfs/dbraw/zinc/24/30/39/586243039.db2.gz BOEJOOQQFQSOKH-BBWFWOEESA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000896487698 586243041 /nfs/dbraw/zinc/24/30/41/586243041.db2.gz BOEJOOQQFQSOKH-BBWFWOEESA-N 2 1 334.464 0.325 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903510498 586781106 /nfs/dbraw/zinc/78/11/06/586781106.db2.gz QZYPXCFDHBSECF-CWRNSKLLSA-N 2 1 349.479 0.287 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000815860989 587300569 /nfs/dbraw/zinc/30/05/69/587300569.db2.gz LLHZSEVAFFRBFG-UHFFFAOYSA-N 2 1 340.387 0.277 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000815860989 587300572 /nfs/dbraw/zinc/30/05/72/587300572.db2.gz LLHZSEVAFFRBFG-UHFFFAOYSA-N 2 1 340.387 0.277 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846166796 589189833 /nfs/dbraw/zinc/18/98/33/589189833.db2.gz CUWHQPIKDZYCIJ-GVDBMIGSSA-N 2 1 336.480 0.869 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000855345698 589627309 /nfs/dbraw/zinc/62/73/09/589627309.db2.gz GTLOIODODCBFMQ-WMLDXEAASA-N 2 1 332.448 0.980 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000855345698 589627311 /nfs/dbraw/zinc/62/73/11/589627311.db2.gz GTLOIODODCBFMQ-WMLDXEAASA-N 2 1 332.448 0.980 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000890370637 591152835 /nfs/dbraw/zinc/15/28/35/591152835.db2.gz DVMYBAIIUFOWCY-GOSISDBHSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000890370637 591152837 /nfs/dbraw/zinc/15/28/37/591152837.db2.gz DVMYBAIIUFOWCY-GOSISDBHSA-N 2 1 348.491 0.838 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000930006566 611379846 /nfs/dbraw/zinc/37/98/46/611379846.db2.gz HBEOXLUONJWDIY-UHFFFAOYSA-N 2 1 345.447 0.685 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000924038240 608611917 /nfs/dbraw/zinc/61/19/17/608611917.db2.gz YXPLXSNXVNFTAT-RDJZCZTQSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038240 608611918 /nfs/dbraw/zinc/61/19/18/608611918.db2.gz YXPLXSNXVNFTAT-RDJZCZTQSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038240 608611920 /nfs/dbraw/zinc/61/19/20/608611920.db2.gz YXPLXSNXVNFTAT-RDJZCZTQSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038240 608611922 /nfs/dbraw/zinc/61/19/22/608611922.db2.gz YXPLXSNXVNFTAT-RDJZCZTQSA-N 2 1 334.464 0.637 20 30 ECEDMP CCOC(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](C(=O)OCC)C2)C1 ZINC000932640908 611647332 /nfs/dbraw/zinc/64/73/32/611647332.db2.gz DIHKGIPZNLKFRX-HZPDHXFCSA-N 2 1 336.432 0.760 20 30 ECEDMP CCOC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(=O)OCC)C2)C1 ZINC000932640908 611647335 /nfs/dbraw/zinc/64/73/35/611647335.db2.gz DIHKGIPZNLKFRX-HZPDHXFCSA-N 2 1 336.432 0.760 20 30 ECEDMP C=CCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911038047 609797402 /nfs/dbraw/zinc/79/74/02/609797402.db2.gz BCYAGFAJQUQCDQ-IYBDPMFKSA-N 2 1 334.464 0.496 20 30 ECEDMP C=CCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911038047 609797405 /nfs/dbraw/zinc/79/74/05/609797405.db2.gz BCYAGFAJQUQCDQ-IYBDPMFKSA-N 2 1 334.464 0.496 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000940807926 610373015 /nfs/dbraw/zinc/37/30/15/610373015.db2.gz WKTBJRITCXWHDH-LSDHHAIUSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000940807926 610373018 /nfs/dbraw/zinc/37/30/18/610373018.db2.gz WKTBJRITCXWHDH-LSDHHAIUSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239452 610623464 /nfs/dbraw/zinc/62/34/64/610623464.db2.gz OLIJPIQEPCNHLI-NVXWUHKLSA-N 2 1 335.492 0.929 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC000945184738 610938473 /nfs/dbraw/zinc/93/84/73/610938473.db2.gz XMIUPIZBJJPYGI-RDJZCZTQSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950432140 612016697 /nfs/dbraw/zinc/01/66/97/612016697.db2.gz MXTMEQIMWGAEHU-DLBZAZTESA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000956077508 612681350 /nfs/dbraw/zinc/68/13/50/612681350.db2.gz LKWMFUCILNQNKA-BBWFWOEESA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000956077508 612681354 /nfs/dbraw/zinc/68/13/54/612681354.db2.gz LKWMFUCILNQNKA-BBWFWOEESA-N 2 1 348.491 0.531 20 30 ECEDMP CC(C)[N@H+](C)Cc1nn(-c2cnc(C#N)c(C#N)n2)c2c1CC[NH2+]C2 ZINC001164679750 719642749 /nfs/dbraw/zinc/64/27/49/719642749.db2.gz LPUBLQNOMZGJOS-UHFFFAOYSA-N 2 1 336.403 0.892 20 30 ECEDMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(C#N)c(C#N)n2)c2c1CC[NH2+]C2 ZINC001164679750 719642757 /nfs/dbraw/zinc/64/27/57/719642757.db2.gz LPUBLQNOMZGJOS-UHFFFAOYSA-N 2 1 336.403 0.892 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042884 731979313 /nfs/dbraw/zinc/97/93/13/731979313.db2.gz YKLOXIHRHLIASB-FUHWJXTLSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098524327 732048625 /nfs/dbraw/zinc/04/86/25/732048625.db2.gz HRZSCCHFFUPSRN-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524327 732048628 /nfs/dbraw/zinc/04/86/28/732048628.db2.gz HRZSCCHFFUPSRN-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524327 732048631 /nfs/dbraw/zinc/04/86/31/732048631.db2.gz HRZSCCHFFUPSRN-UHFFFAOYSA-N 2 1 341.496 0.816 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000261712158 734278637 /nfs/dbraw/zinc/27/86/37/734278637.db2.gz VKTJSTUTRYVFQD-ARFHVFGLSA-N 2 1 338.496 0.943 20 30 ECEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566803 735859343 /nfs/dbraw/zinc/85/93/43/735859343.db2.gz PCPSRKBAMVWPGV-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566803 735859347 /nfs/dbraw/zinc/85/93/47/735859347.db2.gz PCPSRKBAMVWPGV-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566803 735859352 /nfs/dbraw/zinc/85/93/52/735859352.db2.gz PCPSRKBAMVWPGV-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566803 735859357 /nfs/dbraw/zinc/85/93/57/735859357.db2.gz PCPSRKBAMVWPGV-QGZVFWFLSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CC1CC1)CCO2 ZINC000972416569 736154299 /nfs/dbraw/zinc/15/42/99/736154299.db2.gz JVQHDLSSOUOZHY-PKOBYXMFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CC1CC1)CCO2 ZINC000972416569 736154303 /nfs/dbraw/zinc/15/43/03/736154303.db2.gz JVQHDLSSOUOZHY-PKOBYXMFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)CCO2 ZINC000972416569 736154305 /nfs/dbraw/zinc/15/43/05/736154305.db2.gz JVQHDLSSOUOZHY-PKOBYXMFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)CCO2 ZINC000972416569 736154310 /nfs/dbraw/zinc/15/43/10/736154310.db2.gz JVQHDLSSOUOZHY-PKOBYXMFSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433649 736194478 /nfs/dbraw/zinc/19/44/78/736194478.db2.gz PTVUDKJPWCSVRE-MJQPBPLVSA-N 2 1 345.487 0.947 20 30 ECEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518424 736538736 /nfs/dbraw/zinc/53/87/36/736538736.db2.gz IVUQLKFBDJVQCD-FUHWJXTLSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518424 736538738 /nfs/dbraw/zinc/53/87/38/736538738.db2.gz IVUQLKFBDJVQCD-FUHWJXTLSA-N 2 1 337.464 0.585 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC000972658710 737268671 /nfs/dbraw/zinc/26/86/71/737268671.db2.gz GQBQFUYQHLQVKV-SFHVURJKSA-N 2 1 330.432 0.679 20 30 ECEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC000972658710 737268674 /nfs/dbraw/zinc/26/86/74/737268674.db2.gz GQBQFUYQHLQVKV-SFHVURJKSA-N 2 1 330.432 0.679 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](C)O)CCO3)CC1 ZINC000972686701 737378506 /nfs/dbraw/zinc/37/85/06/737378506.db2.gz BQQYLKVCLSMTDN-VQIMIIECSA-N 2 1 349.475 0.016 20 30 ECEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104908448 740902576 /nfs/dbraw/zinc/90/25/76/740902576.db2.gz XICXCVISZSHUFB-BZUAXINKSA-N 2 1 349.479 0.042 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243512 741542176 /nfs/dbraw/zinc/54/21/76/741542176.db2.gz BHGMAHMHPOKXTO-CZUORRHYSA-N 2 1 330.436 0.115 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749450 741759312 /nfs/dbraw/zinc/75/93/12/741759312.db2.gz ISHKDWNLAVPWLK-XJKSGUPXSA-N 2 1 348.472 0.888 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749450 741759315 /nfs/dbraw/zinc/75/93/15/741759315.db2.gz ISHKDWNLAVPWLK-XJKSGUPXSA-N 2 1 348.472 0.888 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)CC1(C)C ZINC000974683010 742011101 /nfs/dbraw/zinc/01/11/01/742011101.db2.gz AOIMOYSRUVGBMU-DLBZAZTESA-N 2 1 343.475 0.807 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001026894131 742040134 /nfs/dbraw/zinc/04/01/34/742040134.db2.gz WMBOLIOCIJCACZ-GJZGRUSLSA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC001026894131 742040143 /nfs/dbraw/zinc/04/01/43/742040143.db2.gz WMBOLIOCIJCACZ-GJZGRUSLSA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3cnsn3)C2)CC1 ZINC001027233349 743244081 /nfs/dbraw/zinc/24/40/81/743244081.db2.gz AOOUBKLTBHNXKH-AWEZNQCLSA-N 2 1 347.488 0.821 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC001020586182 751843546 /nfs/dbraw/zinc/84/35/46/751843546.db2.gz HQOUPNMUUNEUDR-KLHDSHLOSA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC001020586184 751843704 /nfs/dbraw/zinc/84/37/04/751843704.db2.gz HQOUPNMUUNEUDR-YHUYYLMFSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000997831662 743842410 /nfs/dbraw/zinc/84/24/10/743842410.db2.gz KCHKYIOLZJHELR-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000997831662 743842414 /nfs/dbraw/zinc/84/24/14/743842414.db2.gz KCHKYIOLZJHELR-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000999373168 744663611 /nfs/dbraw/zinc/66/36/11/744663611.db2.gz FQHITJOCVPVYJN-WBVHZDCISA-N 2 1 348.491 0.838 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999961199 745103470 /nfs/dbraw/zinc/10/34/70/745103470.db2.gz IHGIIRNLPCHRIU-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961199 745103473 /nfs/dbraw/zinc/10/34/73/745103473.db2.gz IHGIIRNLPCHRIU-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999961199 745103479 /nfs/dbraw/zinc/10/34/79/745103479.db2.gz IHGIIRNLPCHRIU-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999987987 745143718 /nfs/dbraw/zinc/14/37/18/745143718.db2.gz RRTZKKGABQECRK-VNQPRFMTSA-N 2 1 330.436 0.115 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999987987 745143722 /nfs/dbraw/zinc/14/37/22/745143722.db2.gz RRTZKKGABQECRK-VNQPRFMTSA-N 2 1 330.436 0.115 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999987987 745143725 /nfs/dbraw/zinc/14/37/25/745143725.db2.gz RRTZKKGABQECRK-VNQPRFMTSA-N 2 1 330.436 0.115 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000020237 745191318 /nfs/dbraw/zinc/19/13/18/745191318.db2.gz LEXLUOKASMRNAX-MRXNPFEDSA-N 2 1 330.436 0.116 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000032984 745207044 /nfs/dbraw/zinc/20/70/44/745207044.db2.gz AZUJIXGWPHRJHU-OAHLLOKOSA-N 2 1 330.436 0.423 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CC)C1 ZINC000983904779 745484841 /nfs/dbraw/zinc/48/48/41/745484841.db2.gz LQGZRXJSUHBXBQ-JYJNAYRXSA-N 2 1 344.463 0.380 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CC)C1 ZINC000983904779 745484844 /nfs/dbraw/zinc/48/48/44/745484844.db2.gz LQGZRXJSUHBXBQ-JYJNAYRXSA-N 2 1 344.463 0.380 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520486 745563031 /nfs/dbraw/zinc/56/30/31/745563031.db2.gz FKZGEMBYEODQHV-IRXDYDNUSA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520486 745563033 /nfs/dbraw/zinc/56/30/33/745563033.db2.gz FKZGEMBYEODQHV-IRXDYDNUSA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520486 745563034 /nfs/dbraw/zinc/56/30/34/745563034.db2.gz FKZGEMBYEODQHV-IRXDYDNUSA-N 2 1 346.475 0.616 20 30 ECEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000975555 745945440 /nfs/dbraw/zinc/94/54/40/745945440.db2.gz IZKCSDDKLBAGLU-TVRKMHQQSA-N 2 1 329.444 0.621 20 30 ECEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975555 745945441 /nfs/dbraw/zinc/94/54/41/745945441.db2.gz IZKCSDDKLBAGLU-TVRKMHQQSA-N 2 1 329.444 0.621 20 30 ECEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000975555 745945445 /nfs/dbraw/zinc/94/54/45/745945445.db2.gz IZKCSDDKLBAGLU-TVRKMHQQSA-N 2 1 329.444 0.621 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001000995482 745960781 /nfs/dbraw/zinc/96/07/81/745960781.db2.gz YVASHCZXEDYOGV-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000978836939 746783135 /nfs/dbraw/zinc/78/31/35/746783135.db2.gz FNWYWUZCUVCZKK-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000978836939 746783141 /nfs/dbraw/zinc/78/31/41/746783141.db2.gz FNWYWUZCUVCZKK-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000978836939 746783145 /nfs/dbraw/zinc/78/31/45/746783145.db2.gz FNWYWUZCUVCZKK-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000978836939 746783149 /nfs/dbraw/zinc/78/31/49/746783149.db2.gz FNWYWUZCUVCZKK-NCOADZHNSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)CC1 ZINC001027693522 746857604 /nfs/dbraw/zinc/85/76/04/746857604.db2.gz DMLWERWUTGPKRC-DLBZAZTESA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012469 747054028 /nfs/dbraw/zinc/05/40/28/747054028.db2.gz LRDROUAZXNGEBT-SJORKVTESA-N 2 1 333.476 0.758 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC000985120196 747405047 /nfs/dbraw/zinc/40/50/47/747405047.db2.gz PNJXSAGCADWIEE-KLHDSHLOSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154146 747545946 /nfs/dbraw/zinc/54/59/46/747545946.db2.gz ZTMCIFWLUZPDLN-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000979772912 748398734 /nfs/dbraw/zinc/39/87/34/748398734.db2.gz FNWYWUZCUVCZKK-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979772912 748398740 /nfs/dbraw/zinc/39/87/40/748398740.db2.gz FNWYWUZCUVCZKK-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000979772912 748398747 /nfs/dbraw/zinc/39/87/47/748398747.db2.gz FNWYWUZCUVCZKK-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000979772912 748398755 /nfs/dbraw/zinc/39/87/55/748398755.db2.gz FNWYWUZCUVCZKK-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC000980181166 749116453 /nfs/dbraw/zinc/11/64/53/749116453.db2.gz CDHKJTAJSKKMHA-BQFCYCMXSA-N 2 1 343.475 0.908 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262659762 749221833 /nfs/dbraw/zinc/22/18/33/749221833.db2.gz MQBBYZOXFDACBD-KBPBESRZSA-N 2 1 345.513 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)CC1 ZINC000980477467 749630148 /nfs/dbraw/zinc/63/01/48/749630148.db2.gz HAWGZICATUHPJE-DLBZAZTESA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168145922 749701214 /nfs/dbraw/zinc/70/12/14/749701214.db2.gz BCYSGLCQAIRYKH-LSDHHAIUSA-N 2 1 336.480 0.505 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112208159 750124095 /nfs/dbraw/zinc/12/40/95/750124095.db2.gz OWNYRZLTUADXNG-MGPQQGTHSA-N 2 1 347.381 0.709 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)CC1 ZINC001028333106 752401581 /nfs/dbraw/zinc/40/15/81/752401581.db2.gz DQXFYOFOOJCEIW-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)CC1 ZINC001028334203 752414378 /nfs/dbraw/zinc/41/43/78/752414378.db2.gz XDROLMDNDKHBHL-QGZVFWFLSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001030019218 752630887 /nfs/dbraw/zinc/63/08/87/752630887.db2.gz UUFALNJZJHMXBU-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001030019218 752630892 /nfs/dbraw/zinc/63/08/92/752630892.db2.gz UUFALNJZJHMXBU-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493409 762199697 /nfs/dbraw/zinc/19/96/97/762199697.db2.gz JUGJFPYYOOAODK-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406496 753709975 /nfs/dbraw/zinc/70/99/75/753709975.db2.gz ORFIHEWPQSIZSW-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001008406496 753709978 /nfs/dbraw/zinc/70/99/78/753709978.db2.gz ORFIHEWPQSIZSW-DLBZAZTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001009627805 755087300 /nfs/dbraw/zinc/08/73/00/755087300.db2.gz NJNLVBZAZKMPPS-JKSUJKDBSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001009627805 755087307 /nfs/dbraw/zinc/08/73/07/755087307.db2.gz NJNLVBZAZKMPPS-JKSUJKDBSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105669290 755670603 /nfs/dbraw/zinc/67/06/03/755670603.db2.gz QQBQZIMJFKEZLT-FPAYPSAMSA-N 2 1 335.492 0.928 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C[C@H](C)O2 ZINC001098662794 756340854 /nfs/dbraw/zinc/34/08/54/756340854.db2.gz LYUGWMXIKAKTNH-IRXDYDNUSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C[C@H](C)O2 ZINC001098662794 756340860 /nfs/dbraw/zinc/34/08/60/756340860.db2.gz LYUGWMXIKAKTNH-IRXDYDNUSA-N 2 1 349.475 0.422 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833677 757139015 /nfs/dbraw/zinc/13/90/15/757139015.db2.gz RRQTZZHAGOAPNQ-QXSJWSMHSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833677 757139023 /nfs/dbraw/zinc/13/90/23/757139023.db2.gz RRQTZZHAGOAPNQ-QXSJWSMHSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833677 757139033 /nfs/dbraw/zinc/13/90/33/757139033.db2.gz RRQTZZHAGOAPNQ-QXSJWSMHSA-N 2 1 339.867 0.992 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943778 757479330 /nfs/dbraw/zinc/47/93/30/757479330.db2.gz GMIMKVZMTWILJS-FNYPPERVSA-N 2 1 329.444 0.263 20 30 ECEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943778 757479334 /nfs/dbraw/zinc/47/93/34/757479334.db2.gz GMIMKVZMTWILJS-FNYPPERVSA-N 2 1 329.444 0.263 20 30 ECEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943778 757479339 /nfs/dbraw/zinc/47/93/39/757479339.db2.gz GMIMKVZMTWILJS-FNYPPERVSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943843 757479389 /nfs/dbraw/zinc/47/93/89/757479389.db2.gz HSNJIPPYFVVDES-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943843 757479394 /nfs/dbraw/zinc/47/93/94/757479394.db2.gz HSNJIPPYFVVDES-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943843 757479397 /nfs/dbraw/zinc/47/93/97/757479397.db2.gz HSNJIPPYFVVDES-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001021928396 758073539 /nfs/dbraw/zinc/07/35/39/758073539.db2.gz PNHRFCYPHBEYRP-HLLBOEOZSA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001021928396 758073546 /nfs/dbraw/zinc/07/35/46/758073546.db2.gz PNHRFCYPHBEYRP-HLLBOEOZSA-N 2 1 346.406 0.765 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996685201 758468513 /nfs/dbraw/zinc/46/85/13/758468513.db2.gz NRGRFIOAHNFFBS-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996685201 758468517 /nfs/dbraw/zinc/46/85/17/758468517.db2.gz NRGRFIOAHNFFBS-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777664 758599890 /nfs/dbraw/zinc/59/98/90/758599890.db2.gz APUMDVXBOIBLDX-SJORKVTESA-N 2 1 328.416 0.627 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CC(N)=O)C3)C2)CC1 ZINC001054245152 767860943 /nfs/dbraw/zinc/86/09/43/767860943.db2.gz PEDUSMBIQWMQMT-LJQANCHMSA-N 2 1 346.475 0.131 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001054296199 767904535 /nfs/dbraw/zinc/90/45/35/767904535.db2.gz UUFALNJZJHMXBU-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001054296199 767904539 /nfs/dbraw/zinc/90/45/39/767904539.db2.gz UUFALNJZJHMXBU-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050542833 760461499 /nfs/dbraw/zinc/46/14/99/760461499.db2.gz QDLSTFXRKVFDMF-MRXNPFEDSA-N 2 1 329.448 0.371 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071772 763773761 /nfs/dbraw/zinc/77/37/61/763773761.db2.gz ZGQAXQUXPNRABE-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071772 763773767 /nfs/dbraw/zinc/77/37/67/763773767.db2.gz ZGQAXQUXPNRABE-OKZBNKHCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001047227667 763817014 /nfs/dbraw/zinc/81/70/14/763817014.db2.gz DZDYBHAUULZJRY-ZWKOTPCHSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098766291 764487222 /nfs/dbraw/zinc/48/72/22/764487222.db2.gz BANYCMOERVGNBP-HNNXBMFYSA-N 2 1 330.436 0.423 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001052456977 764540011 /nfs/dbraw/zinc/54/00/11/764540011.db2.gz MNRQWHBBZWBPGK-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001052456977 764540020 /nfs/dbraw/zinc/54/00/20/764540020.db2.gz MNRQWHBBZWBPGK-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC001052456977 764540026 /nfs/dbraw/zinc/54/00/26/764540026.db2.gz MNRQWHBBZWBPGK-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccnn2C)CC1 ZINC001052456977 764540030 /nfs/dbraw/zinc/54/00/30/764540030.db2.gz MNRQWHBBZWBPGK-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047528630 764604408 /nfs/dbraw/zinc/60/44/08/764604408.db2.gz VEEIBTPQLPMZBV-GRDNDAEWSA-N 2 1 327.444 0.888 20 30 ECEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047528630 764604412 /nfs/dbraw/zinc/60/44/12/764604412.db2.gz VEEIBTPQLPMZBV-GRDNDAEWSA-N 2 1 327.444 0.888 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047528630 764604419 /nfs/dbraw/zinc/60/44/19/764604419.db2.gz VEEIBTPQLPMZBV-GRDNDAEWSA-N 2 1 327.444 0.888 20 30 ECEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047528630 764604425 /nfs/dbraw/zinc/60/44/25/764604425.db2.gz VEEIBTPQLPMZBV-GRDNDAEWSA-N 2 1 327.444 0.888 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2C)CC1 ZINC001089059366 764917025 /nfs/dbraw/zinc/91/70/25/764917025.db2.gz JHCKDQAPKZXJCW-AEFFLSMTSA-N 2 1 343.475 0.807 20 30 ECEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017748819 768345053 /nfs/dbraw/zinc/34/50/53/768345053.db2.gz VDBRYDJXQZTRPW-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748819 768345059 /nfs/dbraw/zinc/34/50/59/768345059.db2.gz VDBRYDJXQZTRPW-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748819 768345067 /nfs/dbraw/zinc/34/50/67/768345067.db2.gz VDBRYDJXQZTRPW-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748819 768345075 /nfs/dbraw/zinc/34/50/75/768345075.db2.gz VDBRYDJXQZTRPW-FNYPPERVSA-N 2 1 329.444 0.548 20 30 ECEDMP C=C(C)CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)O2 ZINC001053585746 766376880 /nfs/dbraw/zinc/37/68/80/766376880.db2.gz KIFWPNCZFBBITM-JKSUJKDBSA-N 2 1 337.464 0.633 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029977 766697214 /nfs/dbraw/zinc/69/72/14/766697214.db2.gz HDILDOQODPLFLE-ROUUACIJSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035076 766717545 /nfs/dbraw/zinc/71/75/45/766717545.db2.gz CWJAJTWDFCURQB-ROUUACIJSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035075 766717787 /nfs/dbraw/zinc/71/77/87/766717787.db2.gz CWJAJTWDFCURQB-QZTJIDSGSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC001046040256 766746808 /nfs/dbraw/zinc/74/68/08/766746808.db2.gz AKQXOFWNWSFHPO-RTBURBONSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040256 766746810 /nfs/dbraw/zinc/74/68/10/766746810.db2.gz AKQXOFWNWSFHPO-RTBURBONSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)CC2)C1 ZINC001046040256 766746811 /nfs/dbraw/zinc/74/68/11/766746811.db2.gz AKQXOFWNWSFHPO-RTBURBONSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC001046054638 766801765 /nfs/dbraw/zinc/80/17/65/766801765.db2.gz BAIKWWCUIREPRK-RBUKOAKNSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054638 766801776 /nfs/dbraw/zinc/80/17/76/766801776.db2.gz BAIKWWCUIREPRK-RBUKOAKNSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC2)C1 ZINC001046054638 766801785 /nfs/dbraw/zinc/80/17/85/766801785.db2.gz BAIKWWCUIREPRK-RBUKOAKNSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075922 766900216 /nfs/dbraw/zinc/90/02/16/766900216.db2.gz IHNNSQLLQFUYIZ-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046075922 766900223 /nfs/dbraw/zinc/90/02/23/766900223.db2.gz IHNNSQLLQFUYIZ-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075922 766900229 /nfs/dbraw/zinc/90/02/29/766900229.db2.gz IHNNSQLLQFUYIZ-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046083982 766923577 /nfs/dbraw/zinc/92/35/77/766923577.db2.gz GJJFWOHVLKFHBT-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001046083982 766923580 /nfs/dbraw/zinc/92/35/80/766923580.db2.gz GJJFWOHVLKFHBT-QGZVFWFLSA-N 2 1 331.464 0.986 20 30 ECEDMP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001127639040 767366404 /nfs/dbraw/zinc/36/64/04/767366404.db2.gz SCCRZWOFSKCMAA-RHSMWYFYSA-N 2 1 342.443 0.652 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578928 769176173 /nfs/dbraw/zinc/17/61/73/769176173.db2.gz ZYCKCJHMFKHIDK-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1 ZINC001018985996 770483242 /nfs/dbraw/zinc/48/32/42/770483242.db2.gz PLOMKDAJJXLZGK-BBWFWOEESA-N 2 1 344.459 0.061 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC=C)C2=O)C1 ZINC001018985996 770483246 /nfs/dbraw/zinc/48/32/46/770483246.db2.gz PLOMKDAJJXLZGK-BBWFWOEESA-N 2 1 344.459 0.061 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@H]2C)CC1 ZINC000994500321 770916750 /nfs/dbraw/zinc/91/67/50/770916750.db2.gz RCIMYFMFNJTWBO-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@H]2C)CC1 ZINC000994500321 770916751 /nfs/dbraw/zinc/91/67/51/770916751.db2.gz RCIMYFMFNJTWBO-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001020171994 772241256 /nfs/dbraw/zinc/24/12/56/772241256.db2.gz HWXFPGVVOQYHTJ-QCODTGAPSA-N 2 1 334.464 0.350 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001045073288 774935541 /nfs/dbraw/zinc/93/55/41/774935541.db2.gz BNNRWCYODLLIAY-IRXDYDNUSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001045073288 774935545 /nfs/dbraw/zinc/93/55/45/774935545.db2.gz BNNRWCYODLLIAY-IRXDYDNUSA-N 2 1 329.448 0.598 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028897 790382526 /nfs/dbraw/zinc/38/25/26/790382526.db2.gz KHLWBEVCAYNSKH-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028897 790382538 /nfs/dbraw/zinc/38/25/38/790382538.db2.gz KHLWBEVCAYNSKH-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028897 790382551 /nfs/dbraw/zinc/38/25/51/790382551.db2.gz KHLWBEVCAYNSKH-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC001045672309 776011348 /nfs/dbraw/zinc/01/13/48/776011348.db2.gz AOOFVSLEUWUNCB-IRXDYDNUSA-N 2 1 349.475 0.064 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CCO)CC2 ZINC001045672309 776011361 /nfs/dbraw/zinc/01/13/61/776011361.db2.gz AOOFVSLEUWUNCB-IRXDYDNUSA-N 2 1 349.475 0.064 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@@H]2n2ccnn2)CC1 ZINC001070102379 790614222 /nfs/dbraw/zinc/61/42/22/790614222.db2.gz HBKBSCBKXRUUGK-SJORKVTESA-N 2 1 344.463 0.375 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212686 783667979 /nfs/dbraw/zinc/66/79/79/783667979.db2.gz MPLWXILYLKJXES-OAGGEKHMSA-N 2 1 330.436 0.127 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275504 783780598 /nfs/dbraw/zinc/78/05/98/783780598.db2.gz PPEWHZKQJCLZDB-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332573 783840323 /nfs/dbraw/zinc/84/03/23/783840323.db2.gz LIVBLTUHAYQUKG-PMPSAXMXSA-N 2 1 330.436 0.127 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070399280 783965443 /nfs/dbraw/zinc/96/54/43/783965443.db2.gz IFDXGPOKOBAYQZ-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070399280 783965451 /nfs/dbraw/zinc/96/54/51/783965451.db2.gz IFDXGPOKOBAYQZ-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070399280 783965458 /nfs/dbraw/zinc/96/54/58/783965458.db2.gz IFDXGPOKOBAYQZ-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553820 784265260 /nfs/dbraw/zinc/26/52/60/784265260.db2.gz HQITWQPWDLZFLR-YQQAZPJKSA-N 2 1 331.464 0.832 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001070999933 784367992 /nfs/dbraw/zinc/36/79/92/784367992.db2.gz GKJKLUZDBGXQSF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001070999933 784368002 /nfs/dbraw/zinc/36/80/02/784368002.db2.gz GKJKLUZDBGXQSF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001070999933 784368011 /nfs/dbraw/zinc/36/80/11/784368011.db2.gz GKJKLUZDBGXQSF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001070999933 784368018 /nfs/dbraw/zinc/36/80/18/784368018.db2.gz GKJKLUZDBGXQSF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001070999934 784368753 /nfs/dbraw/zinc/36/87/53/784368753.db2.gz GKJKLUZDBGXQSF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001070999934 784368762 /nfs/dbraw/zinc/36/87/62/784368762.db2.gz GKJKLUZDBGXQSF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001070999934 784368771 /nfs/dbraw/zinc/36/87/71/784368771.db2.gz GKJKLUZDBGXQSF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001070999934 784368777 /nfs/dbraw/zinc/36/87/77/784368777.db2.gz GKJKLUZDBGXQSF-MRXNPFEDSA-N 2 1 336.480 0.555 20 30 ECEDMP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001070606237 784428128 /nfs/dbraw/zinc/42/81/28/784428128.db2.gz TZVIEGTZFGZIBL-OWCLPIDISA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)n1 ZINC001070606237 784428136 /nfs/dbraw/zinc/42/81/36/784428136.db2.gz TZVIEGTZFGZIBL-OWCLPIDISA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)n1 ZINC001070606237 784428141 /nfs/dbraw/zinc/42/81/41/784428141.db2.gz TZVIEGTZFGZIBL-OWCLPIDISA-N 2 1 345.447 0.496 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001071205504 784733170 /nfs/dbraw/zinc/73/31/70/784733170.db2.gz LFNYPRYATRMEJJ-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001071205504 784733174 /nfs/dbraw/zinc/73/31/74/784733174.db2.gz LFNYPRYATRMEJJ-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218350 784761853 /nfs/dbraw/zinc/76/18/53/784761853.db2.gz MKKDOARBXVFHOX-IEBWSBKVSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218350 784761859 /nfs/dbraw/zinc/76/18/59/784761859.db2.gz MKKDOARBXVFHOX-IEBWSBKVSA-N 2 1 349.475 0.424 20 30 ECEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816162 787251278 /nfs/dbraw/zinc/25/12/78/787251278.db2.gz WGNBXVGTMQPGGJ-MRXNPFEDSA-N 2 1 335.452 0.451 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C[NH2+]CC)C2(C1)CCOCC2 ZINC001075432040 789364562 /nfs/dbraw/zinc/36/45/62/789364562.db2.gz CJFSBBZKXDCXTL-IRXDYDNUSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C[NH2+]CC)C2(C1)CCOCC2 ZINC001075432040 789364567 /nfs/dbraw/zinc/36/45/67/789364567.db2.gz CJFSBBZKXDCXTL-IRXDYDNUSA-N 2 1 333.476 0.949 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267568384 837791546 /nfs/dbraw/zinc/79/15/46/837791546.db2.gz UESCPKPPTSMEEG-INIZCTEOSA-N 2 1 331.464 0.910 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001266516669 835927599 /nfs/dbraw/zinc/92/75/99/835927599.db2.gz AHAOZHJZRTZZSY-CVEARBPZSA-N 2 1 348.491 0.696 20 30 ECEDMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528405 835944815 /nfs/dbraw/zinc/94/48/15/835944815.db2.gz PAKOPNIKZLHRKN-JKSUJKDBSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528405 835944819 /nfs/dbraw/zinc/94/48/19/835944819.db2.gz PAKOPNIKZLHRKN-JKSUJKDBSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266528405 835944823 /nfs/dbraw/zinc/94/48/23/835944823.db2.gz PAKOPNIKZLHRKN-JKSUJKDBSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266528405 835944827 /nfs/dbraw/zinc/94/48/27/835944827.db2.gz PAKOPNIKZLHRKN-JKSUJKDBSA-N 2 1 349.479 0.186 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266901031 836453705 /nfs/dbraw/zinc/45/37/05/836453705.db2.gz IIUNMSZKWHYZLW-NRKLIOEPSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266901031 836453710 /nfs/dbraw/zinc/45/37/10/836453710.db2.gz IIUNMSZKWHYZLW-NRKLIOEPSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266901031 836453715 /nfs/dbraw/zinc/45/37/15/836453715.db2.gz IIUNMSZKWHYZLW-NRKLIOEPSA-N 2 1 346.475 0.044 20 30 ECEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)c1ccccc1 ZINC001267026207 836644628 /nfs/dbraw/zinc/64/46/28/836644628.db2.gz JMOBVQRPHOXLSY-DOTOQJQBSA-N 2 1 343.431 0.120 20 30 ECEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267110944 836797824 /nfs/dbraw/zinc/79/78/24/836797824.db2.gz JYCXYONOWYBADW-NVXWUHKLSA-N 2 1 336.480 0.245 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267593583 837892434 /nfs/dbraw/zinc/89/24/34/837892434.db2.gz NVDVHYJJXVYMKL-JKSUJKDBSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267593583 837892450 /nfs/dbraw/zinc/89/24/50/837892450.db2.gz NVDVHYJJXVYMKL-JKSUJKDBSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267593583 837892462 /nfs/dbraw/zinc/89/24/62/837892462.db2.gz NVDVHYJJXVYMKL-JKSUJKDBSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267638783 838115671 /nfs/dbraw/zinc/11/56/71/838115671.db2.gz RULVTZUPPWHHHU-HZPDHXFCSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267638783 838115675 /nfs/dbraw/zinc/11/56/75/838115675.db2.gz RULVTZUPPWHHHU-HZPDHXFCSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267638783 838115680 /nfs/dbraw/zinc/11/56/80/838115680.db2.gz RULVTZUPPWHHHU-HZPDHXFCSA-N 2 1 325.453 0.300 20 30 ECEDMP C=CCOCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267638783 838115686 /nfs/dbraw/zinc/11/56/86/838115686.db2.gz RULVTZUPPWHHHU-HZPDHXFCSA-N 2 1 325.453 0.300 20 30 ECEDMP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267767217 838502791 /nfs/dbraw/zinc/50/27/91/838502791.db2.gz NGDBJLOYMKMENS-CVEARBPZSA-N 2 1 330.432 0.628 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cn(C)nc1C ZINC001267804703 838582346 /nfs/dbraw/zinc/58/23/46/838582346.db2.gz AAGZRMMYRPZNEE-SJORKVTESA-N 2 1 331.464 0.811 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cn(C)nc1C ZINC001267804703 838582352 /nfs/dbraw/zinc/58/23/52/838582352.db2.gz AAGZRMMYRPZNEE-SJORKVTESA-N 2 1 331.464 0.811 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267890463 838697568 /nfs/dbraw/zinc/69/75/68/838697568.db2.gz YRFLYLFERWLJCJ-MRXNPFEDSA-N 2 1 345.447 0.159 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[NH+](CC(C)C)CC1 ZINC000262768642 278167967 /nfs/dbraw/zinc/16/79/67/278167967.db2.gz GWMJMESOCRVPKB-QGZVFWFLSA-N 3 1 336.528 0.225 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cnn(-c2ccccc2)c1 ZINC000104159166 436556782 /nfs/dbraw/zinc/55/67/82/436556782.db2.gz FGKSAWBOJHGRJH-UHFFFAOYSA-N 2 1 342.447 0.999 20 30 ECEDMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])NC2CC2)CC1 ZINC000066245650 436681306 /nfs/dbraw/zinc/68/13/06/436681306.db2.gz SCMOJSREVRQVPC-UHFFFAOYSA-N 2 1 325.457 0.996 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)CCc1ccccc1 ZINC000273385469 436751298 /nfs/dbraw/zinc/75/12/98/436751298.db2.gz YWBDIFXHTZVPDL-KRWDZBQOSA-N 2 1 334.464 0.607 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249276512 436818006 /nfs/dbraw/zinc/81/80/06/436818006.db2.gz KBSXBWMLAOTSFC-GJZGRUSLSA-N 2 1 340.468 0.725 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249276512 436818007 /nfs/dbraw/zinc/81/80/07/436818007.db2.gz KBSXBWMLAOTSFC-GJZGRUSLSA-N 2 1 340.468 0.725 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(OC(F)F)c1 ZINC000284034134 437035157 /nfs/dbraw/zinc/03/51/57/437035157.db2.gz OLGTWOFFMWJPGU-UHFFFAOYSA-N 2 1 343.378 0.810 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000284309640 437054317 /nfs/dbraw/zinc/05/43/17/437054317.db2.gz PCSKIJFTOWJWHY-UHFFFAOYSA-N 2 1 347.463 0.855 20 30 ECEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000329390081 437362713 /nfs/dbraw/zinc/36/27/13/437362713.db2.gz USYMCQMPSYHJEE-OAHLLOKOSA-N 2 1 325.501 0.999 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(-n2cncn2)c1 ZINC000267410531 437327914 /nfs/dbraw/zinc/32/79/14/437327914.db2.gz IDNQPVOKIWGNBJ-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000267627147 437330147 /nfs/dbraw/zinc/33/01/47/437330147.db2.gz IYOGDYSVQMNCDZ-ZDUSSCGKSA-N 2 1 330.436 0.718 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343906659 437691043 /nfs/dbraw/zinc/69/10/43/437691043.db2.gz HPOGRQDRPRAEBI-YOEHRIQHSA-N 2 1 348.491 0.742 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292371491 437685495 /nfs/dbraw/zinc/68/54/95/437685495.db2.gz YPQXRKNMOBXKNS-MRXNPFEDSA-N 2 1 343.431 0.570 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292371491 437685501 /nfs/dbraw/zinc/68/55/01/437685501.db2.gz YPQXRKNMOBXKNS-MRXNPFEDSA-N 2 1 343.431 0.570 20 30 ECEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC1(C#N)CCC1 ZINC000344161464 437741907 /nfs/dbraw/zinc/74/19/07/437741907.db2.gz YKJYBRDOSWZIOF-UHFFFAOYSA-N 2 1 335.496 0.898 20 30 ECEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)NC1(C#N)CCC1 ZINC000344161464 437741911 /nfs/dbraw/zinc/74/19/11/437741911.db2.gz YKJYBRDOSWZIOF-UHFFFAOYSA-N 2 1 335.496 0.898 20 30 ECEDMP C#CCNC(=O)CC[N@H+](C)[C@@H]1CCC[NH+](CCC(=O)NCC#C)CC1 ZINC000491425578 439380417 /nfs/dbraw/zinc/38/04/17/439380417.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 2 1 346.475 0.052 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)NCC#C)CC1 ZINC000491425578 439380424 /nfs/dbraw/zinc/38/04/24/439380424.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 2 1 346.475 0.052 20 30 ECEDMP C#CCNC(=O)CC[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)NCC#C)CC1 ZINC000491425578 439380428 /nfs/dbraw/zinc/38/04/28/439380428.db2.gz ATLGTNZLVUEMGL-QGZVFWFLSA-N 2 1 346.475 0.052 20 30 ECEDMP C=C(CNC(=O)C[C@H]1CC[N@H+](C)C1)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000636242070 439836739 /nfs/dbraw/zinc/83/67/39/439836739.db2.gz UFNUINJHDQSKNU-IYBDPMFKSA-N 2 1 336.480 0.459 20 30 ECEDMP C=C(CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636242070 439836747 /nfs/dbraw/zinc/83/67/47/439836747.db2.gz UFNUINJHDQSKNU-IYBDPMFKSA-N 2 1 336.480 0.459 20 30 ECEDMP C=C(CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636242070 439836751 /nfs/dbraw/zinc/83/67/51/439836751.db2.gz UFNUINJHDQSKNU-IYBDPMFKSA-N 2 1 336.480 0.459 20 30 ECEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006133 782119839 /nfs/dbraw/zinc/11/98/39/782119839.db2.gz TUNDGPCXOOLCJK-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006133 782119847 /nfs/dbraw/zinc/11/98/47/782119847.db2.gz TUNDGPCXOOLCJK-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006133 782119851 /nfs/dbraw/zinc/11/98/51/782119851.db2.gz TUNDGPCXOOLCJK-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001078006133 782119857 /nfs/dbraw/zinc/11/98/57/782119857.db2.gz TUNDGPCXOOLCJK-KZNAEPCWSA-N 2 1 342.443 0.561 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000730281329 578304555 /nfs/dbraw/zinc/30/45/55/578304555.db2.gz IUCJVSSYEKZKOL-HOTGVXAUSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000730281329 578304556 /nfs/dbraw/zinc/30/45/56/578304556.db2.gz IUCJVSSYEKZKOL-HOTGVXAUSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000730281329 578304558 /nfs/dbraw/zinc/30/45/58/578304558.db2.gz IUCJVSSYEKZKOL-HOTGVXAUSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000730281329 578304560 /nfs/dbraw/zinc/30/45/60/578304560.db2.gz IUCJVSSYEKZKOL-HOTGVXAUSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000782035750 578719152 /nfs/dbraw/zinc/71/91/52/578719152.db2.gz WSIJPRAJUUVQPW-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000782035750 578719153 /nfs/dbraw/zinc/71/91/53/578719153.db2.gz WSIJPRAJUUVQPW-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000782035750 578719154 /nfs/dbraw/zinc/71/91/54/578719154.db2.gz WSIJPRAJUUVQPW-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000782035750 578719155 /nfs/dbraw/zinc/71/91/55/578719155.db2.gz WSIJPRAJUUVQPW-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000896487713 586243337 /nfs/dbraw/zinc/24/33/37/586243337.db2.gz BOEJOOQQFQSOKH-GVDBMIGSSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000896487713 586243339 /nfs/dbraw/zinc/24/33/39/586243339.db2.gz BOEJOOQQFQSOKH-GVDBMIGSSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000896487713 586243341 /nfs/dbraw/zinc/24/33/41/586243341.db2.gz BOEJOOQQFQSOKH-GVDBMIGSSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000896487713 586243342 /nfs/dbraw/zinc/24/33/42/586243342.db2.gz BOEJOOQQFQSOKH-GVDBMIGSSA-N 2 1 334.464 0.325 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852827810 589515637 /nfs/dbraw/zinc/51/56/37/589515637.db2.gz PYJYFWOOLRJXRG-XPUUQOCRSA-N 2 1 341.234 0.955 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854094036 589571182 /nfs/dbraw/zinc/57/11/82/589571182.db2.gz BRNQSINNZMKQRA-QGZVFWFLSA-N 2 1 336.480 0.838 20 30 ECEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@]3(O)C2)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000880420576 590391824 /nfs/dbraw/zinc/39/18/24/590391824.db2.gz JPSZEPMPQQGSPZ-VJANTYMQSA-N 2 1 325.412 0.691 20 30 ECEDMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884316345 590804032 /nfs/dbraw/zinc/80/40/32/590804032.db2.gz PSBYSFDSGSKVBV-YOFIQYCBSA-N 2 1 348.447 0.222 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)NC1CCCCC1 ZINC000104182884 591053014 /nfs/dbraw/zinc/05/30/14/591053014.db2.gz QLOXECGGBSICAZ-UHFFFAOYSA-N 2 1 325.457 0.062 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928433285 611687851 /nfs/dbraw/zinc/68/78/51/611687851.db2.gz SJIVBYQSEWONHX-GTDBDLECSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928433285 611687853 /nfs/dbraw/zinc/68/78/53/611687853.db2.gz SJIVBYQSEWONHX-GTDBDLECSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000928433285 611687855 /nfs/dbraw/zinc/68/78/55/611687855.db2.gz SJIVBYQSEWONHX-GTDBDLECSA-N 2 1 334.464 0.206 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O ZINC000170909020 609754391 /nfs/dbraw/zinc/75/43/91/609754391.db2.gz HTNCDWBRGIJQRF-CYBMUJFWSA-N 2 1 343.431 0.671 20 30 ECEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000910881990 609772450 /nfs/dbraw/zinc/77/24/50/609772450.db2.gz AEXHNSUVFQKPRR-INIZCTEOSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456807 610319177 /nfs/dbraw/zinc/31/91/77/610319177.db2.gz TZNIMLYLQYXSMY-PKOBYXMFSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456807 610319178 /nfs/dbraw/zinc/31/91/78/610319178.db2.gz TZNIMLYLQYXSMY-PKOBYXMFSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408611 610722500 /nfs/dbraw/zinc/72/25/00/610722500.db2.gz NBAHOPNMVCUHNJ-ROUUACIJSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408611 610722502 /nfs/dbraw/zinc/72/25/02/610722502.db2.gz NBAHOPNMVCUHNJ-ROUUACIJSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408609 610722507 /nfs/dbraw/zinc/72/25/07/610722507.db2.gz NBAHOPNMVCUHNJ-MSOLQXFVSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408609 610722509 /nfs/dbraw/zinc/72/25/09/610722509.db2.gz NBAHOPNMVCUHNJ-MSOLQXFVSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000944030201 611091389 /nfs/dbraw/zinc/09/13/89/611091389.db2.gz FZRBLSAGNBVYTG-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413097 611240677 /nfs/dbraw/zinc/24/06/77/611240677.db2.gz BLDCKKQSTFILNM-VQHPVUNQSA-N 2 1 342.399 0.459 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)CCCC)C1CC[NH+](C)CC1 ZINC000929866589 611801981 /nfs/dbraw/zinc/80/19/81/611801981.db2.gz FSDRTAHJTLZKHR-UHFFFAOYSA-N 2 1 336.480 0.391 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000955339708 612460042 /nfs/dbraw/zinc/46/00/42/612460042.db2.gz KQOAQLMSABQIGZ-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000955339708 612460045 /nfs/dbraw/zinc/46/00/45/612460045.db2.gz KQOAQLMSABQIGZ-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000955339708 612460048 /nfs/dbraw/zinc/46/00/48/612460048.db2.gz KQOAQLMSABQIGZ-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000955339708 612460051 /nfs/dbraw/zinc/46/00/51/612460051.db2.gz KQOAQLMSABQIGZ-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167225242 733068786 /nfs/dbraw/zinc/06/87/86/733068786.db2.gz RIKSHKGECIWBRN-JKSUJKDBSA-N 2 1 348.491 0.485 20 30 ECEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111984035 738737618 /nfs/dbraw/zinc/73/76/18/738737618.db2.gz WJWGKIAHVQXVTL-MPGHIAIKSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984035 738737621 /nfs/dbraw/zinc/73/76/21/738737621.db2.gz WJWGKIAHVQXVTL-MPGHIAIKSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984035 738737623 /nfs/dbraw/zinc/73/76/23/738737623.db2.gz WJWGKIAHVQXVTL-MPGHIAIKSA-N 2 1 334.464 0.211 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167476451 734724934 /nfs/dbraw/zinc/72/49/34/734724934.db2.gz XFFSRRBDFYWOGJ-CQSZACIVSA-N 2 1 335.452 0.793 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083220690 734749201 /nfs/dbraw/zinc/74/92/01/734749201.db2.gz MIHHHMPKIMVJAM-DLBZAZTESA-N 2 1 347.463 0.546 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083220690 734749206 /nfs/dbraw/zinc/74/92/06/734749206.db2.gz MIHHHMPKIMVJAM-DLBZAZTESA-N 2 1 347.463 0.546 20 30 ECEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566584 735840187 /nfs/dbraw/zinc/84/01/87/735840187.db2.gz CQFBWEYBHHAMDH-INIZCTEOSA-N 2 1 325.453 0.178 20 30 ECEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566584 735840190 /nfs/dbraw/zinc/84/01/90/735840190.db2.gz CQFBWEYBHHAMDH-INIZCTEOSA-N 2 1 325.453 0.178 20 30 ECEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566584 735840194 /nfs/dbraw/zinc/84/01/94/735840194.db2.gz CQFBWEYBHHAMDH-INIZCTEOSA-N 2 1 325.453 0.178 20 30 ECEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566584 735840197 /nfs/dbraw/zinc/84/01/97/735840197.db2.gz CQFBWEYBHHAMDH-INIZCTEOSA-N 2 1 325.453 0.178 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001023128520 736524366 /nfs/dbraw/zinc/52/43/66/736524366.db2.gz IGJLXHOOJLXJSX-GASCZTMLSA-N 2 1 331.420 0.460 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001023762483 737327326 /nfs/dbraw/zinc/32/73/26/737327326.db2.gz XYNDIGQTHYKZOA-INIZCTEOSA-N 2 1 348.491 0.248 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001024022218 737627362 /nfs/dbraw/zinc/62/73/62/737627362.db2.gz QOYQKBHARZOPNF-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001024022218 737627363 /nfs/dbraw/zinc/62/73/63/737627363.db2.gz QOYQKBHARZOPNF-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC001006445558 751391366 /nfs/dbraw/zinc/39/13/66/751391366.db2.gz JNPPHJLYOZYEAP-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001026040885 740326779 /nfs/dbraw/zinc/32/67/79/740326779.db2.gz SVYAEENSVQXUIM-RNGZQALNSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@@H]2C)C1=O ZINC001026040885 740326781 /nfs/dbraw/zinc/32/67/81/740326781.db2.gz SVYAEENSVQXUIM-RNGZQALNSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@@H]2C)C1=O ZINC001026040885 740326786 /nfs/dbraw/zinc/32/67/86/740326786.db2.gz SVYAEENSVQXUIM-RNGZQALNSA-N 2 1 346.475 0.304 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908158 740900782 /nfs/dbraw/zinc/90/07/82/740900782.db2.gz LWKVAYKRXZLCIV-BRWVUGGUSA-N 2 1 348.491 0.152 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000974263364 741193494 /nfs/dbraw/zinc/19/34/94/741193494.db2.gz SDENCAXCBPQZQS-TWMKSMIVSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000974263364 741193495 /nfs/dbraw/zinc/19/34/95/741193495.db2.gz SDENCAXCBPQZQS-TWMKSMIVSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000974263364 741193500 /nfs/dbraw/zinc/19/35/00/741193500.db2.gz SDENCAXCBPQZQS-TWMKSMIVSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000974263364 741193504 /nfs/dbraw/zinc/19/35/04/741193504.db2.gz SDENCAXCBPQZQS-TWMKSMIVSA-N 2 1 346.475 0.332 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105064405 741273390 /nfs/dbraw/zinc/27/33/90/741273390.db2.gz NHKWLYPYIPWHIU-HZPDHXFCSA-N 2 1 338.496 0.703 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264380 741595269 /nfs/dbraw/zinc/59/52/69/741595269.db2.gz HAURRTSXTLIIEU-MRXNPFEDSA-N 2 1 344.463 0.649 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749631 741760105 /nfs/dbraw/zinc/76/01/05/741760105.db2.gz MNWVTMLRCFSVIR-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749631 741760108 /nfs/dbraw/zinc/76/01/08/741760108.db2.gz MNWVTMLRCFSVIR-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326781 741803494 /nfs/dbraw/zinc/80/34/94/741803494.db2.gz GEGZIWCGUDSHLC-AWEZNQCLSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCn2cccn2)CC1(C)C ZINC000974683012 742010768 /nfs/dbraw/zinc/01/07/68/742010768.db2.gz AOIMOYSRUVGBMU-IRXDYDNUSA-N 2 1 343.475 0.807 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001026889506 742029236 /nfs/dbraw/zinc/02/92/36/742029236.db2.gz XKGKSMNPLQDQKM-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC001026893456 742038140 /nfs/dbraw/zinc/03/81/40/742038140.db2.gz GXHYWISCQMHLBO-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC001026893456 742038142 /nfs/dbraw/zinc/03/81/42/742038142.db2.gz GXHYWISCQMHLBO-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455658 751817514 /nfs/dbraw/zinc/81/75/14/751817514.db2.gz HTLYCPPOCFNNBA-GVDBMIGSSA-N 2 1 339.480 0.879 20 30 ECEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000262007683 743387715 /nfs/dbraw/zinc/38/77/15/743387715.db2.gz SBSYCMAPXRWZCL-CQSZACIVSA-N 2 1 329.452 0.398 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@]2(C)C1 ZINC000982282025 751856156 /nfs/dbraw/zinc/85/61/56/751856156.db2.gz IRYLMPNQDYDJAF-KDURUIRLSA-N 2 1 343.475 0.862 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC000999870061 744971824 /nfs/dbraw/zinc/97/18/24/744971824.db2.gz KLLYWXZWKFKSEL-UHFFFAOYSA-N 2 1 345.447 0.802 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnn(C)n3)C2)CC1 ZINC000999870674 744972518 /nfs/dbraw/zinc/97/25/18/744972518.db2.gz OVDSBSLJTHNTPK-UHFFFAOYSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC000983902930 745481149 /nfs/dbraw/zinc/48/11/49/745481149.db2.gz ZYBNUAUZLGLHNV-ZOBUZTSGSA-N 2 1 344.463 0.380 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ncccn2)C1 ZINC000983907778 745489738 /nfs/dbraw/zinc/48/97/38/745489738.db2.gz ZVOJZZYJXVUIBX-JYJNAYRXSA-N 2 1 327.432 0.559 20 30 ECEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000693836 745704960 /nfs/dbraw/zinc/70/49/60/745704960.db2.gz UNLULMLJMUIKMC-UHFFFAOYSA-N 2 1 329.448 0.830 20 30 ECEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000977633 745946855 /nfs/dbraw/zinc/94/68/55/745946855.db2.gz RMVJWQOSLFVVFW-TVRKMHQQSA-N 2 1 329.444 0.621 20 30 ECEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001000977633 745946857 /nfs/dbraw/zinc/94/68/57/745946857.db2.gz RMVJWQOSLFVVFW-TVRKMHQQSA-N 2 1 329.444 0.621 20 30 ECEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001000977633 745946859 /nfs/dbraw/zinc/94/68/59/745946859.db2.gz RMVJWQOSLFVVFW-TVRKMHQQSA-N 2 1 329.444 0.621 20 30 ECEDMP CCS(=O)(=O)CCNC(=[NH+]C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262493517 747791176 /nfs/dbraw/zinc/79/11/76/747791176.db2.gz VPHRFNMFNREFHX-AWEZNQCLSA-N 2 1 330.498 0.557 20 30 ECEDMP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239715 747935728 /nfs/dbraw/zinc/93/57/28/747935728.db2.gz DVBMWPHVCPOWGX-ROUUACIJSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239715 747935730 /nfs/dbraw/zinc/93/57/30/747935730.db2.gz DVBMWPHVCPOWGX-ROUUACIJSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239715 747935733 /nfs/dbraw/zinc/93/57/33/747935733.db2.gz DVBMWPHVCPOWGX-ROUUACIJSA-N 2 1 333.476 0.901 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC(OCC2CC2)CC1 ZINC000261690372 752229221 /nfs/dbraw/zinc/22/92/21/752229221.db2.gz FBYRGFOAFLFWLK-MRXNPFEDSA-N 2 1 337.512 0.699 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccnn2C)C1 ZINC001029758085 748271315 /nfs/dbraw/zinc/27/13/15/748271315.db2.gz QPSGDKSSYGASBC-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccnn2C)C1 ZINC001029758085 748271317 /nfs/dbraw/zinc/27/13/17/748271317.db2.gz QPSGDKSSYGASBC-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccnn2C)C1 ZINC001029758085 748271321 /nfs/dbraw/zinc/27/13/21/748271321.db2.gz QPSGDKSSYGASBC-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccnn2C)C1 ZINC001029758085 748271323 /nfs/dbraw/zinc/27/13/23/748271323.db2.gz QPSGDKSSYGASBC-WMZOPIPTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000979772892 748397617 /nfs/dbraw/zinc/39/76/17/748397617.db2.gz FNWYWUZCUVCZKK-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000979772892 748397624 /nfs/dbraw/zinc/39/76/24/748397624.db2.gz FNWYWUZCUVCZKK-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000979772892 748397628 /nfs/dbraw/zinc/39/76/28/748397628.db2.gz FNWYWUZCUVCZKK-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000979772892 748397631 /nfs/dbraw/zinc/39/76/31/748397631.db2.gz FNWYWUZCUVCZKK-QAETUUGQSA-N 2 1 346.475 0.047 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000305776325 748401260 /nfs/dbraw/zinc/40/12/60/748401260.db2.gz OJMUTBADGPCNAB-MCIONIFRSA-N 2 1 325.457 0.011 20 30 ECEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001088326566 748736024 /nfs/dbraw/zinc/73/60/24/748736024.db2.gz SIKDIRWOHVIWJN-SJORKVTESA-N 2 1 331.464 0.807 20 30 ECEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001088350311 748871925 /nfs/dbraw/zinc/87/19/25/748871925.db2.gz UJJFGNNXEDUVGL-VIHIWDAPSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783757 751103672 /nfs/dbraw/zinc/10/36/72/751103672.db2.gz DOMFJXBNWRBAFW-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783757 751103674 /nfs/dbraw/zinc/10/36/74/751103674.db2.gz DOMFJXBNWRBAFW-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783757 751103675 /nfs/dbraw/zinc/10/36/75/751103675.db2.gz DOMFJXBNWRBAFW-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001006314505 751233851 /nfs/dbraw/zinc/23/38/51/751233851.db2.gz LNNCJTXJHVMJKZ-XIRDDKMYSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000988963843 753087214 /nfs/dbraw/zinc/08/72/14/753087214.db2.gz GOSZVSWTBBWUFA-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000988963843 753087220 /nfs/dbraw/zinc/08/72/20/753087220.db2.gz GOSZVSWTBBWUFA-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000988963843 753087226 /nfs/dbraw/zinc/08/72/26/753087226.db2.gz GOSZVSWTBBWUFA-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000988963843 753087229 /nfs/dbraw/zinc/08/72/29/753087229.db2.gz GOSZVSWTBBWUFA-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261866664 754702176 /nfs/dbraw/zinc/70/21/76/754702176.db2.gz ZCVGDDLLPKIAHC-DLBZAZTESA-N 2 1 349.523 0.700 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261866664 754702179 /nfs/dbraw/zinc/70/21/79/754702179.db2.gz ZCVGDDLLPKIAHC-DLBZAZTESA-N 3 1 349.523 0.700 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261866664 754702181 /nfs/dbraw/zinc/70/21/81/754702181.db2.gz ZCVGDDLLPKIAHC-DLBZAZTESA-N 3 1 349.523 0.700 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345316 754763247 /nfs/dbraw/zinc/76/32/47/754763247.db2.gz PDZSVBPUNFCFQB-OAHLLOKOSA-N 2 1 338.496 0.893 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@H]12 ZINC000990737004 755801302 /nfs/dbraw/zinc/80/13/02/755801302.db2.gz FVEBHKHBXFENBX-FUHWJXTLSA-N 2 1 329.448 0.805 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869658 757237446 /nfs/dbraw/zinc/23/74/46/757237446.db2.gz COIDWHBLFQWMEO-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869658 757237454 /nfs/dbraw/zinc/23/74/54/757237454.db2.gz COIDWHBLFQWMEO-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869658 757237460 /nfs/dbraw/zinc/23/74/60/757237460.db2.gz COIDWHBLFQWMEO-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001048869658 757237468 /nfs/dbraw/zinc/23/74/68/757237468.db2.gz COIDWHBLFQWMEO-OKYOBFRVSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001011314855 757491343 /nfs/dbraw/zinc/49/13/43/757491343.db2.gz OFOBEEZQIIIXGT-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001011314855 757491348 /nfs/dbraw/zinc/49/13/48/757491348.db2.gz OFOBEEZQIIIXGT-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001011314855 757491352 /nfs/dbraw/zinc/49/13/52/757491352.db2.gz OFOBEEZQIIIXGT-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001011314855 757491355 /nfs/dbraw/zinc/49/13/55/757491355.db2.gz OFOBEEZQIIIXGT-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC001022220516 758441333 /nfs/dbraw/zinc/44/13/33/758441333.db2.gz HXELJJBDSSAMQO-UXLLHSPISA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC001022220516 758441337 /nfs/dbraw/zinc/44/13/37/758441337.db2.gz HXELJJBDSSAMQO-UXLLHSPISA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001077184538 758441632 /nfs/dbraw/zinc/44/16/32/758441632.db2.gz KPJXPOFJBCZAHP-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001077184538 758441636 /nfs/dbraw/zinc/44/16/36/758441636.db2.gz KPJXPOFJBCZAHP-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001022293265 758530109 /nfs/dbraw/zinc/53/01/09/758530109.db2.gz SRCOCCSXCJVHSH-XUWVNRHRSA-N 2 1 334.464 0.494 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049608795 758988041 /nfs/dbraw/zinc/98/80/41/758988041.db2.gz FAXUBPKYKWMOPK-SYJBPTKTSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049608795 758988048 /nfs/dbraw/zinc/98/80/48/758988048.db2.gz FAXUBPKYKWMOPK-SYJBPTKTSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049608795 758988052 /nfs/dbraw/zinc/98/80/52/758988052.db2.gz FAXUBPKYKWMOPK-SYJBPTKTSA-N 2 1 343.471 0.938 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100335 759702440 /nfs/dbraw/zinc/70/24/40/759702440.db2.gz ZOTDXIIWZGLMQC-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100335 759702444 /nfs/dbraw/zinc/70/24/44/759702444.db2.gz ZOTDXIIWZGLMQC-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100335 759702449 /nfs/dbraw/zinc/70/24/49/759702449.db2.gz ZOTDXIIWZGLMQC-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202657 759930787 /nfs/dbraw/zinc/93/07/87/759930787.db2.gz SGRCOEXLABLEDS-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202657 759930789 /nfs/dbraw/zinc/93/07/89/759930789.db2.gz SGRCOEXLABLEDS-FGTMMUONSA-N 2 1 333.476 0.901 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723327 767971141 /nfs/dbraw/zinc/97/11/41/767971141.db2.gz FPDJURHLARIXED-OWCLPIDISA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723327 767971144 /nfs/dbraw/zinc/97/11/44/767971144.db2.gz FPDJURHLARIXED-OWCLPIDISA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723327 767971145 /nfs/dbraw/zinc/97/11/45/767971145.db2.gz FPDJURHLARIXED-OWCLPIDISA-N 2 1 325.453 0.223 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723327 767971148 /nfs/dbraw/zinc/97/11/48/767971148.db2.gz FPDJURHLARIXED-OWCLPIDISA-N 2 1 325.453 0.223 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1=O ZINC001127674864 763282151 /nfs/dbraw/zinc/28/21/51/763282151.db2.gz MNFXWQGIYLVLBY-HUUCEWRRSA-N 2 1 347.463 0.889 20 30 ECEDMP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001127702913 763612362 /nfs/dbraw/zinc/61/23/62/763612362.db2.gz MPOLNNLGWBITPN-JKSUJKDBSA-N 2 1 344.463 0.560 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031063 763630798 /nfs/dbraw/zinc/63/07/98/763630798.db2.gz DGBOICIXNMEKLQ-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036227 763647396 /nfs/dbraw/zinc/64/73/96/763647396.db2.gz ICFCFCCBHHVJAI-QZTJIDSGSA-N 2 1 347.507 0.991 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036227 763647403 /nfs/dbraw/zinc/64/74/03/763647403.db2.gz ICFCFCCBHHVJAI-QZTJIDSGSA-N 2 1 347.507 0.991 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001052105878 763877814 /nfs/dbraw/zinc/87/78/14/763877814.db2.gz SXAMOJFOPKAQNH-LJQANCHMSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986838 764255782 /nfs/dbraw/zinc/25/57/82/764255782.db2.gz ICDPELIEABPDJA-IJEWVQPXSA-N 2 1 345.447 0.014 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986878 764255816 /nfs/dbraw/zinc/25/58/16/764255816.db2.gz JOBYCTCWEZBIAJ-IJEWVQPXSA-N 2 1 347.463 0.566 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499766 764520354 /nfs/dbraw/zinc/52/03/54/764520354.db2.gz QNXOZEOBLVRVJA-YESZJQIVSA-N 2 1 339.480 0.565 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499766 764520359 /nfs/dbraw/zinc/52/03/59/764520359.db2.gz QNXOZEOBLVRVJA-YESZJQIVSA-N 2 1 339.480 0.565 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499766 764520363 /nfs/dbraw/zinc/52/03/63/764520363.db2.gz QNXOZEOBLVRVJA-YESZJQIVSA-N 2 1 339.480 0.565 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499766 764520366 /nfs/dbraw/zinc/52/03/66/764520366.db2.gz QNXOZEOBLVRVJA-YESZJQIVSA-N 2 1 339.480 0.565 20 30 ECEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COC1CC[NH+](C)CC1 ZINC001089882518 764658208 /nfs/dbraw/zinc/65/82/08/764658208.db2.gz DZCCMTAZLAVJRD-NQYYFHDYSA-N 2 1 345.487 0.899 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012363 764667197 /nfs/dbraw/zinc/66/71/97/764667197.db2.gz PKCNNMWJYIAFQN-ZACQAIPSSA-N 2 1 339.480 0.594 20 30 ECEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012363 764667204 /nfs/dbraw/zinc/66/72/04/764667204.db2.gz PKCNNMWJYIAFQN-ZACQAIPSSA-N 2 1 339.480 0.594 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@@H]2C)CC1 ZINC001089059884 764916798 /nfs/dbraw/zinc/91/67/98/764916798.db2.gz GZSBDUDDCDIVHH-QAPCUYQASA-N 2 1 343.475 0.844 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106112872 765941357 /nfs/dbraw/zinc/94/13/57/765941357.db2.gz RTVHVNADCWRLOY-OAGGEKHMSA-N 2 1 349.479 0.183 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329216 766124972 /nfs/dbraw/zinc/12/49/72/766124972.db2.gz KOJRIKWTQHRMFK-WMLDXEAASA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329216 766124973 /nfs/dbraw/zinc/12/49/73/766124973.db2.gz KOJRIKWTQHRMFK-WMLDXEAASA-N 2 1 346.475 0.189 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1=O ZINC001031666916 766392691 /nfs/dbraw/zinc/39/26/91/766392691.db2.gz UAYJGQMHMSRXET-DLBZAZTESA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666916 766392701 /nfs/dbraw/zinc/39/27/01/766392701.db2.gz UAYJGQMHMSRXET-DLBZAZTESA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1=O ZINC001031666918 766393302 /nfs/dbraw/zinc/39/33/02/766393302.db2.gz UAYJGQMHMSRXET-IAGOWNOFSA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666918 766393310 /nfs/dbraw/zinc/39/33/10/766393310.db2.gz UAYJGQMHMSRXET-IAGOWNOFSA-N 2 1 348.491 0.694 20 30 ECEDMP COCC#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212253253 766487574 /nfs/dbraw/zinc/48/75/74/766487574.db2.gz APOLCHLWHVFQPJ-BRWVUGGUSA-N 2 1 337.464 0.324 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031848 766702238 /nfs/dbraw/zinc/70/22/38/766702238.db2.gz AKOGVYDIFVLQTC-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031848 766702240 /nfs/dbraw/zinc/70/22/40/766702240.db2.gz AKOGVYDIFVLQTC-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031848 766702242 /nfs/dbraw/zinc/70/22/42/766702242.db2.gz AKOGVYDIFVLQTC-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035217 766720149 /nfs/dbraw/zinc/72/01/49/766720149.db2.gz HHFUQWTTWRXYMB-SJORKVTESA-N 2 1 341.459 0.612 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC001046035217 766720156 /nfs/dbraw/zinc/72/01/56/766720156.db2.gz HHFUQWTTWRXYMB-SJORKVTESA-N 2 1 341.459 0.612 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)CC2)C1 ZINC001046036330 766725109 /nfs/dbraw/zinc/72/51/09/766725109.db2.gz HEZMLCBMAGAMTK-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)CC2)C1 ZINC001046036330 766725113 /nfs/dbraw/zinc/72/51/13/766725113.db2.gz HEZMLCBMAGAMTK-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)CC2)C1 ZINC001046036330 766725116 /nfs/dbraw/zinc/72/51/16/766725116.db2.gz HEZMLCBMAGAMTK-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)CC2)C1 ZINC001046036330 766725120 /nfs/dbraw/zinc/72/51/20/766725120.db2.gz HEZMLCBMAGAMTK-MOPGFXCFSA-N 2 1 342.487 0.326 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001046044460 766767550 /nfs/dbraw/zinc/76/75/50/766767550.db2.gz XLYPEPKWTTZPOT-SFHVURJKSA-N 2 1 337.427 0.800 20 30 ECEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016740839 766827200 /nfs/dbraw/zinc/82/72/00/766827200.db2.gz PKBQQTXOVWFOBB-MUZJZNNISA-N 2 1 343.471 0.844 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001078261655 782582438 /nfs/dbraw/zinc/58/24/38/782582438.db2.gz ACIYVPMPQKTZKG-HZPDHXFCSA-N 2 1 333.432 0.920 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001078261655 782582444 /nfs/dbraw/zinc/58/24/44/782582444.db2.gz ACIYVPMPQKTZKG-HZPDHXFCSA-N 2 1 333.432 0.920 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069759 766870718 /nfs/dbraw/zinc/87/07/18/766870718.db2.gz IOIUYCMQYAIACR-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccnn2C)C1 ZINC001031741275 766989343 /nfs/dbraw/zinc/98/93/43/766989343.db2.gz VGPDBJVELWSOKC-KRWDZBQOSA-N 2 1 329.448 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccnn2C)C1 ZINC001031741275 766989346 /nfs/dbraw/zinc/98/93/46/766989346.db2.gz VGPDBJVELWSOKC-KRWDZBQOSA-N 2 1 329.448 0.108 20 30 ECEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168689 767764907 /nfs/dbraw/zinc/76/49/07/767764907.db2.gz GZZZUWDATWUMDQ-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168689 767764913 /nfs/dbraw/zinc/76/49/13/767764913.db2.gz GZZZUWDATWUMDQ-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168689 767764917 /nfs/dbraw/zinc/76/49/17/767764917.db2.gz GZZZUWDATWUMDQ-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001055590135 769196445 /nfs/dbraw/zinc/19/64/45/769196445.db2.gz DQOPZXRMYIMADJ-CZUORRHYSA-N 2 1 349.479 0.183 20 30 ECEDMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1)[NH+](C)C ZINC001055595240 769211627 /nfs/dbraw/zinc/21/16/27/769211627.db2.gz ROVXBHXYKHMTHQ-QGZVFWFLSA-N 2 1 348.491 0.437 20 30 ECEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001019031051 770603572 /nfs/dbraw/zinc/60/35/72/770603572.db2.gz FUYMXFBYTMPPEU-FHLIZLRMSA-N 2 1 342.443 0.968 20 30 ECEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001019031051 770603579 /nfs/dbraw/zinc/60/35/79/770603579.db2.gz FUYMXFBYTMPPEU-FHLIZLRMSA-N 2 1 342.443 0.968 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001019258581 771069101 /nfs/dbraw/zinc/06/91/01/771069101.db2.gz HGJADFPYHKMNCJ-JYJNAYRXSA-N 2 1 334.464 0.448 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020405999 772549317 /nfs/dbraw/zinc/54/93/17/772549317.db2.gz HWXCTVGIXJHQLP-NTTUHNMPSA-N 2 1 325.840 0.839 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001045073696 774936390 /nfs/dbraw/zinc/93/63/90/774936390.db2.gz NKRBNNQWHMTDBF-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001045073696 774936394 /nfs/dbraw/zinc/93/63/94/774936394.db2.gz NKRBNNQWHMTDBF-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664363 775993514 /nfs/dbraw/zinc/99/35/14/775993514.db2.gz FXWMTPHXLQOPMT-DLBZAZTESA-N 2 1 349.475 0.328 20 30 ECEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664363 775993526 /nfs/dbraw/zinc/99/35/26/775993526.db2.gz FXWMTPHXLQOPMT-DLBZAZTESA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664742 775995501 /nfs/dbraw/zinc/99/55/01/775995501.db2.gz OFZHLBKTFLNMQF-IRXDYDNUSA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664742 775995513 /nfs/dbraw/zinc/99/55/13/775995513.db2.gz OFZHLBKTFLNMQF-IRXDYDNUSA-N 2 1 349.475 0.328 20 30 ECEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489307 781619171 /nfs/dbraw/zinc/61/91/71/781619171.db2.gz SWQLZAKDXRDUEA-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489307 781619178 /nfs/dbraw/zinc/61/91/78/781619178.db2.gz SWQLZAKDXRDUEA-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489307 781619182 /nfs/dbraw/zinc/61/91/82/781619182.db2.gz SWQLZAKDXRDUEA-OWODTTCDSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001040712313 783313642 /nfs/dbraw/zinc/31/36/42/783313642.db2.gz IDXKNEFPCBZFSP-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001040731531 783343878 /nfs/dbraw/zinc/34/38/78/783343878.db2.gz MJGCLCGUHKEJNR-SJORKVTESA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001040731531 783343894 /nfs/dbraw/zinc/34/38/94/783343894.db2.gz MJGCLCGUHKEJNR-SJORKVTESA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCO)CC1 ZINC001040013977 783408031 /nfs/dbraw/zinc/40/80/31/783408031.db2.gz AYRUPJAUIUKFFM-HDICACEKSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533919 784239534 /nfs/dbraw/zinc/23/95/34/784239534.db2.gz XSNGNJAVEALPKO-YQQAZPJKSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645152 784490034 /nfs/dbraw/zinc/49/00/34/784490034.db2.gz LWIHPGGHSRKJPE-BRWVUGGUSA-N 2 1 343.475 0.810 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654196 784504416 /nfs/dbraw/zinc/50/44/16/784504416.db2.gz ANBKOFQINAWYKP-ZACQAIPSSA-N 2 1 343.475 0.812 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001070656544 784508827 /nfs/dbraw/zinc/50/88/27/784508827.db2.gz MSJRYJCVCOMSDV-OAGGEKHMSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001070656544 784508833 /nfs/dbraw/zinc/50/88/33/784508833.db2.gz MSJRYJCVCOMSDV-OAGGEKHMSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073634205 786827479 /nfs/dbraw/zinc/82/74/79/786827479.db2.gz OIGZUTZCPUSEHO-HZPDHXFCSA-N 2 1 330.432 0.991 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073634205 786827490 /nfs/dbraw/zinc/82/74/90/786827490.db2.gz OIGZUTZCPUSEHO-HZPDHXFCSA-N 2 1 330.432 0.991 20 30 ECEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816161 787251813 /nfs/dbraw/zinc/25/18/13/787251813.db2.gz WGNBXVGTMQPGGJ-INIZCTEOSA-N 2 1 335.452 0.451 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)C1=O ZINC001073425531 789820938 /nfs/dbraw/zinc/82/09/38/789820938.db2.gz AANLQTBSYKUJPI-HZPDHXFCSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425531 789820947 /nfs/dbraw/zinc/82/09/47/789820947.db2.gz AANLQTBSYKUJPI-HZPDHXFCSA-N 2 1 346.475 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)C4)C3)C2)C1=O ZINC001073425531 789820951 /nfs/dbraw/zinc/82/09/51/789820951.db2.gz AANLQTBSYKUJPI-HZPDHXFCSA-N 2 1 346.475 0.259 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@@H](C)OC)C3)CC1 ZINC001073455159 789862720 /nfs/dbraw/zinc/86/27/20/789862720.db2.gz ABBRVHHXNAHJNE-MRXNPFEDSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569385 837794729 /nfs/dbraw/zinc/79/47/29/837794729.db2.gz UHSPCXJAQBPGKV-HOTGVXAUSA-N 2 1 346.475 0.048 20 30 ECEDMP COCC#CCN(C)CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001266277122 835602220 /nfs/dbraw/zinc/60/22/20/835602220.db2.gz OEQOPLPQKYHYBQ-MRXNPFEDSA-N 2 1 333.436 0.488 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001266382423 835793213 /nfs/dbraw/zinc/79/32/13/835793213.db2.gz OCOMBJLENOHJJY-HNNXBMFYSA-N 2 1 345.447 0.464 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266551094 835975660 /nfs/dbraw/zinc/97/56/60/835975660.db2.gz LEUJMNJISKNRDW-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001266551094 835975672 /nfs/dbraw/zinc/97/56/72/835975672.db2.gz LEUJMNJISKNRDW-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001266551094 835975684 /nfs/dbraw/zinc/97/56/84/835975684.db2.gz LEUJMNJISKNRDW-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266703855 836170405 /nfs/dbraw/zinc/17/04/05/836170405.db2.gz OJYGQPJZUGLPPG-HZPDHXFCSA-N 2 1 338.496 0.799 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266797659 836318976 /nfs/dbraw/zinc/31/89/76/836318976.db2.gz FPFKXLFXQISHGZ-HOTGVXAUSA-N 2 1 347.463 0.710 20 30 ECEDMP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254531 837076354 /nfs/dbraw/zinc/07/63/54/837076354.db2.gz UDQJMNFAGNYNEW-CABCVRRESA-N 2 1 337.468 0.185 20 30 ECEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254531 837076356 /nfs/dbraw/zinc/07/63/56/837076356.db2.gz UDQJMNFAGNYNEW-CABCVRRESA-N 2 1 337.468 0.185 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267593580 837893469 /nfs/dbraw/zinc/89/34/69/837893469.db2.gz NVDVHYJJXVYMKL-CVEARBPZSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267593580 837893479 /nfs/dbraw/zinc/89/34/79/837893479.db2.gz NVDVHYJJXVYMKL-CVEARBPZSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267593580 837893485 /nfs/dbraw/zinc/89/34/85/837893485.db2.gz NVDVHYJJXVYMKL-CVEARBPZSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267665415 838190604 /nfs/dbraw/zinc/19/06/04/838190604.db2.gz HJEXNTKTJIZPLX-HNNXBMFYSA-N 2 1 333.436 0.274 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267665415 838190611 /nfs/dbraw/zinc/19/06/11/838190611.db2.gz HJEXNTKTJIZPLX-HNNXBMFYSA-N 2 1 333.436 0.274 20 30 ECEDMP C#CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767716 838505649 /nfs/dbraw/zinc/50/56/49/838505649.db2.gz QWJYHRGAOZKGRK-GOEBONIOSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267767716 838505652 /nfs/dbraw/zinc/50/56/52/838505652.db2.gz QWJYHRGAOZKGRK-GOEBONIOSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267767716 838505654 /nfs/dbraw/zinc/50/56/54/838505654.db2.gz QWJYHRGAOZKGRK-GOEBONIOSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267767716 838505656 /nfs/dbraw/zinc/50/56/56/838505656.db2.gz QWJYHRGAOZKGRK-GOEBONIOSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC#CCOC)CC1 ZINC001267944660 838831996 /nfs/dbraw/zinc/83/19/96/838831996.db2.gz HFEWNJFKYLWSBT-IBGZPJMESA-N 2 1 345.487 0.952 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC#CCOC)CC1 ZINC001267944660 838832006 /nfs/dbraw/zinc/83/20/06/838832006.db2.gz HFEWNJFKYLWSBT-IBGZPJMESA-N 2 1 345.487 0.952 20 30 ECEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000080999845 217349150 /nfs/dbraw/zinc/34/91/50/217349150.db2.gz YQOYSMITCVZRDQ-KRWDZBQOSA-N 2 1 330.432 0.779 20 30 ECEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000080999845 217349154 /nfs/dbraw/zinc/34/91/54/217349154.db2.gz YQOYSMITCVZRDQ-KRWDZBQOSA-N 2 1 330.432 0.779 20 30 ECEDMP N#Cc1ccccc1OC[C@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000528560013 268298573 /nfs/dbraw/zinc/29/85/73/268298573.db2.gz FUROZHSQFHNCEV-ZWKOTPCHSA-N 2 1 345.443 0.829 20 30 ECEDMP COC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304807902 293017652 /nfs/dbraw/zinc/01/76/52/293017652.db2.gz UCZRCVCZDFSLMB-HNNXBMFYSA-N 2 1 325.501 0.876 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cn2ccccc2n1 ZINC000104159468 436557393 /nfs/dbraw/zinc/55/73/93/436557393.db2.gz BCEQJQSZZGKPKP-UHFFFAOYSA-N 2 1 330.436 0.503 20 30 ECEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000130678086 436841417 /nfs/dbraw/zinc/84/14/17/436841417.db2.gz JXMDVYOSXLPYDH-UHFFFAOYSA-N 2 1 337.468 0.042 20 30 ECEDMP C[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133905511 436886274 /nfs/dbraw/zinc/88/62/74/436886274.db2.gz PNGUNXCRCACJSW-ZIAGYGMSSA-N 2 1 337.468 0.961 20 30 ECEDMP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000261818788 436890313 /nfs/dbraw/zinc/89/03/13/436890313.db2.gz UFIRDRRBYPEYKG-AWEZNQCLSA-N 2 1 338.525 0.713 20 30 ECEDMP CN1CC[NH+]=C1NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000262677817 436940207 /nfs/dbraw/zinc/94/02/07/436940207.db2.gz UQJYZBPYTKHDPU-UHFFFAOYSA-N 2 1 345.447 0.738 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1C(=O)Cc2ccccc21 ZINC000170909738 436961275 /nfs/dbraw/zinc/96/12/75/436961275.db2.gz ZESYLADCKKNQGM-UHFFFAOYSA-N 2 1 345.447 0.202 20 30 ECEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000264124042 437017689 /nfs/dbraw/zinc/01/76/89/437017689.db2.gz RTMAIJKWTXXLNN-AWEZNQCLSA-N 2 1 339.509 0.977 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(OC)c1 ZINC000264149372 437018331 /nfs/dbraw/zinc/01/83/31/437018331.db2.gz YSDGOMGYWGIYMJ-HNNXBMFYSA-N 2 1 347.463 0.814 20 30 ECEDMP CCc1ccc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000285033240 437075494 /nfs/dbraw/zinc/07/54/94/437075494.db2.gz JZNBEWKQYIJRSW-KRWDZBQOSA-N 2 1 334.464 0.909 20 30 ECEDMP COc1cccc([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267412982 437327954 /nfs/dbraw/zinc/32/79/54/437327954.db2.gz ISGVHNQQXFOLPA-INIZCTEOSA-N 2 1 336.436 0.355 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(OC)n1 ZINC000290676888 437515675 /nfs/dbraw/zinc/51/56/75/437515675.db2.gz PONUHXYMYRPMKR-UHFFFAOYSA-N 2 1 337.424 0.225 20 30 ECEDMP C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000330625598 437571271 /nfs/dbraw/zinc/57/12/71/437571271.db2.gz HSDDCGGHMUCMCO-IAGOWNOFSA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@H]1N1CCN(C)CC1 ZINC000330625598 437571274 /nfs/dbraw/zinc/57/12/74/437571274.db2.gz HSDDCGGHMUCMCO-IAGOWNOFSA-N 2 1 335.496 0.706 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000343764229 437648628 /nfs/dbraw/zinc/64/86/28/437648628.db2.gz KMULTTOKNRLURU-INIZCTEOSA-N 2 1 336.480 0.552 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000343764229 437648633 /nfs/dbraw/zinc/64/86/33/437648633.db2.gz KMULTTOKNRLURU-INIZCTEOSA-N 2 1 336.480 0.552 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000343778334 437656506 /nfs/dbraw/zinc/65/65/06/437656506.db2.gz KGJOBBSSQXQCIQ-CABCVRRESA-N 2 1 336.480 0.694 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000343778334 437656508 /nfs/dbraw/zinc/65/65/08/437656508.db2.gz KGJOBBSSQXQCIQ-CABCVRRESA-N 2 1 336.480 0.694 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000340831186 437748686 /nfs/dbraw/zinc/74/86/86/437748686.db2.gz SYUKZGNKBPDORA-SJORKVTESA-N 2 1 348.491 0.886 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000491743998 439439528 /nfs/dbraw/zinc/43/95/28/439439528.db2.gz NFRULUZUYFHGCB-QGZVFWFLSA-N 2 1 337.512 0.514 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000491743998 439439533 /nfs/dbraw/zinc/43/95/33/439439533.db2.gz NFRULUZUYFHGCB-QGZVFWFLSA-N 2 1 337.512 0.514 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000491743998 439439540 /nfs/dbraw/zinc/43/95/40/439439540.db2.gz NFRULUZUYFHGCB-QGZVFWFLSA-N 2 1 337.512 0.514 20 30 ECEDMP C=CCNC(=O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000573932836 439675693 /nfs/dbraw/zinc/67/56/93/439675693.db2.gz OVWHBPYPEQRYGT-UHFFFAOYSA-N 2 1 336.480 0.601 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000668835452 547762370 /nfs/dbraw/zinc/76/23/70/547762370.db2.gz ATPUWBHMCWGFIK-INIZCTEOSA-N 2 1 336.480 0.744 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000880500029 590398130 /nfs/dbraw/zinc/39/81/30/590398130.db2.gz SPMYVJLJEHQLJO-IAGOWNOFSA-N 2 1 333.476 0.947 20 30 ECEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884180234 590764947 /nfs/dbraw/zinc/76/49/47/590764947.db2.gz QQGCOUJKVXVMDO-NDUQDZPOSA-N 2 1 334.464 0.599 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000890361548 591150489 /nfs/dbraw/zinc/15/04/89/591150489.db2.gz UIMSUZGLYIKSMS-RDJZCZTQSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000890361548 591150491 /nfs/dbraw/zinc/15/04/91/591150491.db2.gz UIMSUZGLYIKSMS-RDJZCZTQSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000890361548 591150495 /nfs/dbraw/zinc/15/04/95/591150495.db2.gz UIMSUZGLYIKSMS-RDJZCZTQSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000890361548 591150496 /nfs/dbraw/zinc/15/04/96/591150496.db2.gz UIMSUZGLYIKSMS-RDJZCZTQSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000890370805 591152893 /nfs/dbraw/zinc/15/28/93/591152893.db2.gz GKKLLZWXYYAGBV-QZTJIDSGSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370805 591152896 /nfs/dbraw/zinc/15/28/96/591152896.db2.gz GKKLLZWXYYAGBV-QZTJIDSGSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370805 591152899 /nfs/dbraw/zinc/15/28/99/591152899.db2.gz GKKLLZWXYYAGBV-QZTJIDSGSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370805 591152903 /nfs/dbraw/zinc/15/29/03/591152903.db2.gz GKKLLZWXYYAGBV-QZTJIDSGSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCOC)C[C@H]2CC1 ZINC000946628222 611373732 /nfs/dbraw/zinc/37/37/32/611373732.db2.gz MHMOSTPIMWDRBE-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOC)C[C@H]2CC1 ZINC000946628222 611373737 /nfs/dbraw/zinc/37/37/37/611373737.db2.gz MHMOSTPIMWDRBE-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCOC)C[C@H]2CC1 ZINC000946628222 611373738 /nfs/dbraw/zinc/37/37/38/611373738.db2.gz MHMOSTPIMWDRBE-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCOC)C[C@H]2CC1 ZINC000946628222 611373743 /nfs/dbraw/zinc/37/37/43/611373743.db2.gz MHMOSTPIMWDRBE-KSZLIROESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000938173013 609487036 /nfs/dbraw/zinc/48/70/36/609487036.db2.gz KLKQVUJBEGDYSU-RDJZCZTQSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000938173013 609487039 /nfs/dbraw/zinc/48/70/39/609487039.db2.gz KLKQVUJBEGDYSU-RDJZCZTQSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000938173013 609487042 /nfs/dbraw/zinc/48/70/42/609487042.db2.gz KLKQVUJBEGDYSU-RDJZCZTQSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000938173013 609487044 /nfs/dbraw/zinc/48/70/44/609487044.db2.gz KLKQVUJBEGDYSU-RDJZCZTQSA-N 2 1 346.475 0.285 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC#CC[NH+](C)C)CC1=O ZINC000913518697 609685353 /nfs/dbraw/zinc/68/53/53/609685353.db2.gz XNXOOQPCQOUHQT-HZPDHXFCSA-N 2 1 334.464 0.000 20 30 ECEDMP C[NH+](C)CC#CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000913517181 609685377 /nfs/dbraw/zinc/68/53/77/609685377.db2.gz WHMMPZOHNXMHRI-UHFFFAOYSA-N 2 1 328.460 0.485 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC(=O)N1CCCCCC1 ZINC000170913392 609754367 /nfs/dbraw/zinc/75/43/67/609754367.db2.gz BHQJCUORXKEROT-UHFFFAOYSA-N 2 1 339.484 0.406 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000938768597 609985432 /nfs/dbraw/zinc/98/54/32/609985432.db2.gz MDHKPHQGPZQXCF-BBWFWOEESA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000938768597 609985433 /nfs/dbraw/zinc/98/54/33/609985433.db2.gz MDHKPHQGPZQXCF-BBWFWOEESA-N 2 1 348.491 0.484 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413814 610302858 /nfs/dbraw/zinc/30/28/58/610302858.db2.gz FTHYIXYVNPGZRM-SJLPKXTDSA-N 2 1 348.491 0.254 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413814 610302860 /nfs/dbraw/zinc/30/28/60/610302860.db2.gz FTHYIXYVNPGZRM-SJLPKXTDSA-N 2 1 348.491 0.254 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091703 610532433 /nfs/dbraw/zinc/53/24/33/610532433.db2.gz XYSDTRCSCPZNHY-MRXNPFEDSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000941246001 610616545 /nfs/dbraw/zinc/61/65/45/610616545.db2.gz YOXRLRGTWSKKSH-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000941246001 610616547 /nfs/dbraw/zinc/61/65/47/610616547.db2.gz YOXRLRGTWSKKSH-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000941246001 610616549 /nfs/dbraw/zinc/61/65/49/610616549.db2.gz YOXRLRGTWSKKSH-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000941246001 610616550 /nfs/dbraw/zinc/61/65/50/610616550.db2.gz YOXRLRGTWSKKSH-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000941246001 610616551 /nfs/dbraw/zinc/61/65/51/610616551.db2.gz YOXRLRGTWSKKSH-VQHPVUNQSA-N 2 1 346.475 0.141 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408457 610722555 /nfs/dbraw/zinc/72/25/55/610722555.db2.gz HAQYIKIKMJFXRM-SFHVURJKSA-N 2 1 332.492 0.733 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000956073102 612677540 /nfs/dbraw/zinc/67/75/40/612677540.db2.gz NKUPSBHBBYMZIG-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000956073102 612677542 /nfs/dbraw/zinc/67/75/42/612677542.db2.gz NKUPSBHBBYMZIG-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000956073102 612677546 /nfs/dbraw/zinc/67/75/46/612677546.db2.gz NKUPSBHBBYMZIG-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000956073102 612677548 /nfs/dbraw/zinc/67/75/48/612677548.db2.gz NKUPSBHBBYMZIG-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC000970924933 734092494 /nfs/dbraw/zinc/09/24/94/734092494.db2.gz NVOVMOZLDJKIEC-YOEHRIQHSA-N 2 1 346.475 0.047 20 30 ECEDMP COCC#CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460825 734576826 /nfs/dbraw/zinc/57/68/26/734576826.db2.gz QOUFGJZNNDPSPD-UHFFFAOYSA-N 2 1 337.464 0.235 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2C(C)C)C1=O ZINC001167476516 734724827 /nfs/dbraw/zinc/72/48/27/734724827.db2.gz YLWGDJSRBPEGPT-OAHLLOKOSA-N 2 1 347.463 0.889 20 30 ECEDMP C=CCN1CC[C@H]([NH+](C)[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000971688269 734949408 /nfs/dbraw/zinc/94/94/08/734949408.db2.gz VKNINEAARIZIEP-IRXDYDNUSA-N 2 1 348.491 0.790 20 30 ECEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580472 735811241 /nfs/dbraw/zinc/81/12/41/735811241.db2.gz BPCZDURJJFSDIB-UHFFFAOYSA-N 2 1 333.436 0.242 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](CC=C)CCO)CC2)CC1 ZINC001098570368 736108154 /nfs/dbraw/zinc/10/81/54/736108154.db2.gz AQVAWTVJWPAOSI-UHFFFAOYSA-N 2 1 333.476 0.803 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCF)CCO2 ZINC000972417508 736158469 /nfs/dbraw/zinc/15/84/69/736158469.db2.gz YQMRRBHHBRUNPZ-FUHWJXTLSA-N 2 1 337.439 0.747 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCF)CCO2 ZINC000972417508 736158470 /nfs/dbraw/zinc/15/84/70/736158470.db2.gz YQMRRBHHBRUNPZ-FUHWJXTLSA-N 2 1 337.439 0.747 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023421539 736809472 /nfs/dbraw/zinc/80/94/72/736809472.db2.gz BUYCODXZGPRBGE-SJORKVTESA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001023421539 736809475 /nfs/dbraw/zinc/80/94/75/736809475.db2.gz BUYCODXZGPRBGE-SJORKVTESA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001023421539 736809477 /nfs/dbraw/zinc/80/94/77/736809477.db2.gz BUYCODXZGPRBGE-SJORKVTESA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCn2cncn2)C1 ZINC001023421539 736809481 /nfs/dbraw/zinc/80/94/81/736809481.db2.gz BUYCODXZGPRBGE-SJORKVTESA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCn2cncn2)C1 ZINC001023421539 736809484 /nfs/dbraw/zinc/80/94/84/736809484.db2.gz BUYCODXZGPRBGE-SJORKVTESA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](C)OC)C[C@@H]32)CC1 ZINC001083283703 739744712 /nfs/dbraw/zinc/74/47/12/739744712.db2.gz OTIYXURVJTVOPU-BPQIPLTHSA-N 2 1 349.475 0.278 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814058 739996484 /nfs/dbraw/zinc/99/64/84/739996484.db2.gz KOWIXSFCTCPYCE-IECFSIQFSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814058 739996486 /nfs/dbraw/zinc/99/64/86/739996486.db2.gz KOWIXSFCTCPYCE-IECFSIQFSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814058 739996488 /nfs/dbraw/zinc/99/64/88/739996488.db2.gz KOWIXSFCTCPYCE-IECFSIQFSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814058 739996489 /nfs/dbraw/zinc/99/64/89/739996489.db2.gz KOWIXSFCTCPYCE-IECFSIQFSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@H]21 ZINC001025814058 739996491 /nfs/dbraw/zinc/99/64/91/739996491.db2.gz KOWIXSFCTCPYCE-IECFSIQFSA-N 2 1 345.487 0.946 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001025820291 740007298 /nfs/dbraw/zinc/00/72/98/740007298.db2.gz JUYGZIHJZNSZIY-DMRKSPOLSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001025820291 740007302 /nfs/dbraw/zinc/00/73/02/740007302.db2.gz JUYGZIHJZNSZIY-DMRKSPOLSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001025820291 740007308 /nfs/dbraw/zinc/00/73/08/740007308.db2.gz JUYGZIHJZNSZIY-DMRKSPOLSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104936318 740969377 /nfs/dbraw/zinc/96/93/77/740969377.db2.gz OCKKXFVCBJMVCV-HZPDHXFCSA-N 2 1 338.496 0.705 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000974262644 741192330 /nfs/dbraw/zinc/19/23/30/741192330.db2.gz CHZNOUXGQHLVOB-BBWFWOEESA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000974262644 741192332 /nfs/dbraw/zinc/19/23/32/741192332.db2.gz CHZNOUXGQHLVOB-BBWFWOEESA-N 2 1 346.475 0.189 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242598 741539572 /nfs/dbraw/zinc/53/95/72/741539572.db2.gz BLYLLMDYJSSIRB-INIZCTEOSA-N 2 1 330.436 0.279 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC001105268145 741609630 /nfs/dbraw/zinc/60/96/30/741609630.db2.gz BSCTYHDUZLWSNH-UHFFFAOYSA-N 2 1 344.463 0.813 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nncs2)C1 ZINC001026892921 742036415 /nfs/dbraw/zinc/03/64/15/742036415.db2.gz DWZXFCIQNGSDMT-KGLIPLIRSA-N 2 1 333.461 0.574 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC001026893580 742039002 /nfs/dbraw/zinc/03/90/02/742039002.db2.gz LBVIYJHIKQTAMO-RDJZCZTQSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cn(CC)nn2)C1 ZINC001026893580 742039007 /nfs/dbraw/zinc/03/90/07/742039007.db2.gz LBVIYJHIKQTAMO-RDJZCZTQSA-N 2 1 344.463 0.334 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001029003357 743155758 /nfs/dbraw/zinc/15/57/58/743155758.db2.gz LUBNDVNKBVOMET-ZBFHGGJFSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001029004521 743164895 /nfs/dbraw/zinc/16/48/95/743164895.db2.gz YGWBQESLITZFAI-RDJZCZTQSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001027218548 743179973 /nfs/dbraw/zinc/17/99/73/743179973.db2.gz IUGXLMQNDLYLET-JKSUJKDBSA-N 2 1 345.447 0.417 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455725 751817574 /nfs/dbraw/zinc/81/75/74/751817574.db2.gz KQRZQNIWCITLRK-ARFHVFGLSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455725 751817581 /nfs/dbraw/zinc/81/75/81/751817581.db2.gz KQRZQNIWCITLRK-ARFHVFGLSA-N 2 1 325.453 0.489 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@@]2(C)C1 ZINC000982296359 751900395 /nfs/dbraw/zinc/90/03/95/751900395.db2.gz QSSULJVGFQENPM-YTQUADARSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296359 751900407 /nfs/dbraw/zinc/90/04/07/751900407.db2.gz QSSULJVGFQENPM-YTQUADARSA-N 2 1 343.475 0.617 20 30 ECEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329067 751941905 /nfs/dbraw/zinc/94/19/05/751941905.db2.gz PEDCICNOYMEOCH-ZACQAIPSSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329067 751941906 /nfs/dbraw/zinc/94/19/06/751941906.db2.gz PEDCICNOYMEOCH-ZACQAIPSSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329067 751941910 /nfs/dbraw/zinc/94/19/10/751941910.db2.gz PEDCICNOYMEOCH-ZACQAIPSSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001213329067 751941913 /nfs/dbraw/zinc/94/19/13/751941913.db2.gz PEDCICNOYMEOCH-ZACQAIPSSA-N 2 1 339.480 0.877 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960088 745101511 /nfs/dbraw/zinc/10/15/11/745101511.db2.gz BMGLPOZSFDANOD-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960088 745101516 /nfs/dbraw/zinc/10/15/16/745101516.db2.gz BMGLPOZSFDANOD-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999960088 745101519 /nfs/dbraw/zinc/10/15/19/745101519.db2.gz BMGLPOZSFDANOD-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999998327 745158649 /nfs/dbraw/zinc/15/86/49/745158649.db2.gz QWPHVVHFZNCWGI-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998327 745158653 /nfs/dbraw/zinc/15/86/53/745158653.db2.gz QWPHVVHFZNCWGI-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998327 745158667 /nfs/dbraw/zinc/15/86/67/745158667.db2.gz QWPHVVHFZNCWGI-HZPDHXFCSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC000983903823 745483773 /nfs/dbraw/zinc/48/37/73/745483773.db2.gz GPZQJTCPHFCVLN-ZOBUZTSGSA-N 2 1 344.463 0.380 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(CC)n2)C1 ZINC000983903823 745483777 /nfs/dbraw/zinc/48/37/77/745483777.db2.gz GPZQJTCPHFCVLN-ZOBUZTSGSA-N 2 1 344.463 0.380 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000977921580 745650304 /nfs/dbraw/zinc/65/03/04/745650304.db2.gz TUKSFFYNGQGMFI-IKGGRYGDSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000977921580 745650308 /nfs/dbraw/zinc/65/03/08/745650308.db2.gz TUKSFFYNGQGMFI-IKGGRYGDSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC000978147370 745979999 /nfs/dbraw/zinc/97/99/99/745979999.db2.gz MRSYNAAXXFDKCZ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC000978147370 745980000 /nfs/dbraw/zinc/98/00/00/745980000.db2.gz MRSYNAAXXFDKCZ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000978147370 745980001 /nfs/dbraw/zinc/98/00/01/745980001.db2.gz MRSYNAAXXFDKCZ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000978147370 745980003 /nfs/dbraw/zinc/98/00/03/745980003.db2.gz MRSYNAAXXFDKCZ-ZACQAIPSSA-N 2 1 346.475 0.238 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080760 747270037 /nfs/dbraw/zinc/27/00/37/747270037.db2.gz MAFCYQCYBFUFEW-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080760 747270043 /nfs/dbraw/zinc/27/00/43/747270043.db2.gz MAFCYQCYBFUFEW-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080760 747270048 /nfs/dbraw/zinc/27/00/48/747270048.db2.gz MAFCYQCYBFUFEW-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080760 747270053 /nfs/dbraw/zinc/27/00/53/747270053.db2.gz MAFCYQCYBFUFEW-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080761 747270411 /nfs/dbraw/zinc/27/04/11/747270411.db2.gz MAFCYQCYBFUFEW-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080761 747270415 /nfs/dbraw/zinc/27/04/15/747270415.db2.gz MAFCYQCYBFUFEW-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080761 747270420 /nfs/dbraw/zinc/27/04/20/747270420.db2.gz MAFCYQCYBFUFEW-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080761 747270426 /nfs/dbraw/zinc/27/04/26/747270426.db2.gz MAFCYQCYBFUFEW-SQNIBIBYSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178807 747654119 /nfs/dbraw/zinc/65/41/19/747654119.db2.gz FCAFFGYZRZBFAQ-ZIAGYGMSSA-N 2 1 347.381 0.711 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC000985476296 748217990 /nfs/dbraw/zinc/21/79/90/748217990.db2.gz QLSNRTWBTBFVHH-CVEARBPZSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC000985476296 748217997 /nfs/dbraw/zinc/21/79/97/748217997.db2.gz QLSNRTWBTBFVHH-CVEARBPZSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H](CC)C(N)=O)CC1 ZINC000985476296 748218001 /nfs/dbraw/zinc/21/80/01/748218001.db2.gz QLSNRTWBTBFVHH-CVEARBPZSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H](CC)C(N)=O)CC1 ZINC000985476296 748218006 /nfs/dbraw/zinc/21/80/06/748218006.db2.gz QLSNRTWBTBFVHH-CVEARBPZSA-N 2 1 334.464 0.271 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nn3)[C@@H]2C)CC1 ZINC000987569928 750971827 /nfs/dbraw/zinc/97/18/27/750971827.db2.gz JEZYSQRSTLVOEU-YOEHRIQHSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001020928780 752350386 /nfs/dbraw/zinc/35/03/86/752350386.db2.gz LXXPOQYDXBPKGS-FPCVCCKLSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001028603641 753896669 /nfs/dbraw/zinc/89/66/69/753896669.db2.gz GHDOLPLDWBGEDQ-HOCLYGCPSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001028603641 753896678 /nfs/dbraw/zinc/89/66/78/753896678.db2.gz GHDOLPLDWBGEDQ-HOCLYGCPSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001075942467 753931635 /nfs/dbraw/zinc/93/16/35/753931635.db2.gz ISJMRUQOKKDJEC-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001075942467 753931642 /nfs/dbraw/zinc/93/16/42/753931642.db2.gz ISJMRUQOKKDJEC-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001075942467 753931649 /nfs/dbraw/zinc/93/16/49/753931649.db2.gz ISJMRUQOKKDJEC-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001075942467 753931662 /nfs/dbraw/zinc/93/16/62/753931662.db2.gz ISJMRUQOKKDJEC-JYJNAYRXSA-N 2 1 334.464 0.189 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860701 757207860 /nfs/dbraw/zinc/20/78/60/757207860.db2.gz BEWKAMGOSVHWAV-IXDOHACOSA-N 2 1 329.448 0.227 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048860701 757207865 /nfs/dbraw/zinc/20/78/65/757207865.db2.gz BEWKAMGOSVHWAV-IXDOHACOSA-N 2 1 329.448 0.227 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001011314216 757487478 /nfs/dbraw/zinc/48/74/78/757487478.db2.gz JZSCFQMYSWUPKF-CVEARBPZSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001011314216 757487484 /nfs/dbraw/zinc/48/74/84/757487484.db2.gz JZSCFQMYSWUPKF-CVEARBPZSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235945 758405171 /nfs/dbraw/zinc/40/51/71/758405171.db2.gz ZIROSDTYLQZSAU-NXHRZFHOSA-N 2 1 333.476 0.757 20 30 ECEDMP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127779619 758626771 /nfs/dbraw/zinc/62/67/71/758626771.db2.gz OZBCAXFMNNDFOI-WBVHZDCISA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127779698 758627602 /nfs/dbraw/zinc/62/76/02/758627602.db2.gz QJDVXDUHRWJGHQ-IRXDYDNUSA-N 2 1 328.416 0.627 20 30 ECEDMP N#Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC001127778883 758642066 /nfs/dbraw/zinc/64/20/66/758642066.db2.gz HMESXJDPOMIXLD-WBVHZDCISA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1F ZINC001127779293 758645352 /nfs/dbraw/zinc/64/53/52/758645352.db2.gz KXDBRWLHNXPNOS-NVXWUHKLSA-N 2 1 346.406 0.766 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060321756 762649604 /nfs/dbraw/zinc/64/96/04/762649604.db2.gz OXZGNUOMZPUHKK-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060321756 762649608 /nfs/dbraw/zinc/64/96/08/762649608.db2.gz OXZGNUOMZPUHKK-IRXDYDNUSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001048532788 760671644 /nfs/dbraw/zinc/67/16/44/760671644.db2.gz GQSALUDANCBOOB-UUAJXVIYSA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001048532788 760671652 /nfs/dbraw/zinc/67/16/52/760671652.db2.gz GQSALUDANCBOOB-UUAJXVIYSA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001048532788 760671656 /nfs/dbraw/zinc/67/16/56/760671656.db2.gz GQSALUDANCBOOB-UUAJXVIYSA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001048532788 760671661 /nfs/dbraw/zinc/67/16/61/760671661.db2.gz GQSALUDANCBOOB-UUAJXVIYSA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106266509 768035634 /nfs/dbraw/zinc/03/56/34/768035634.db2.gz NXFYXVRNJZIAFL-ZACQAIPSSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106266509 768035638 /nfs/dbraw/zinc/03/56/38/768035638.db2.gz NXFYXVRNJZIAFL-ZACQAIPSSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001051254094 761773251 /nfs/dbraw/zinc/77/32/51/761773251.db2.gz DUUFAZIRMFQRMD-WMZOPIPTSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001051254094 761773258 /nfs/dbraw/zinc/77/32/58/761773258.db2.gz DUUFAZIRMFQRMD-WMZOPIPTSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849098 763226759 /nfs/dbraw/zinc/22/67/59/763226759.db2.gz BFZMJVNALMGMKH-DNVCBOLYSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CCC)CC2)C1 ZINC001052036983 763652730 /nfs/dbraw/zinc/65/27/30/763652730.db2.gz ADKKEBZSSKBGOJ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CCC)CC2)C1 ZINC001052036983 763652735 /nfs/dbraw/zinc/65/27/35/763652735.db2.gz ADKKEBZSSKBGOJ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955210 764930840 /nfs/dbraw/zinc/93/08/40/764930840.db2.gz LUPSVRIZTLGMCF-LLCZDAQESA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955210 764930844 /nfs/dbraw/zinc/93/08/44/764930844.db2.gz LUPSVRIZTLGMCF-LLCZDAQESA-N 2 1 329.444 0.596 20 30 ECEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991955210 764930847 /nfs/dbraw/zinc/93/08/47/764930847.db2.gz LUPSVRIZTLGMCF-LLCZDAQESA-N 2 1 329.444 0.596 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046027257 766685462 /nfs/dbraw/zinc/68/54/62/766685462.db2.gz LOWITAUPJRZQIV-RBUKOAKNSA-N 2 1 344.503 0.570 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001046037309 766732979 /nfs/dbraw/zinc/73/29/79/766732979.db2.gz VVBNQUCFSMDAHL-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001046037309 766732985 /nfs/dbraw/zinc/73/29/85/766732985.db2.gz VVBNQUCFSMDAHL-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCC=C)C2)CC1 ZINC001046037309 766732990 /nfs/dbraw/zinc/73/29/90/766732990.db2.gz VVBNQUCFSMDAHL-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCC=C)C2)CC1 ZINC001046037309 766732993 /nfs/dbraw/zinc/73/29/93/766732993.db2.gz VVBNQUCFSMDAHL-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039273 766742428 /nfs/dbraw/zinc/74/24/28/766742428.db2.gz OVDAAJLKULVXIL-GOSISDBHSA-N 2 1 344.503 0.714 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046043201 766761008 /nfs/dbraw/zinc/76/10/08/766761008.db2.gz YAVTVJTZCFLBHF-GOSISDBHSA-N 2 1 344.503 0.857 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043487 766762165 /nfs/dbraw/zinc/76/21/65/766762165.db2.gz GYYTYGCACUYONA-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043487 766762172 /nfs/dbraw/zinc/76/21/72/766762172.db2.gz GYYTYGCACUYONA-KRWDZBQOSA-N 2 1 331.464 0.986 20 30 ECEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106903758 766802235 /nfs/dbraw/zinc/80/22/35/766802235.db2.gz IBODTSGLSCAECB-HUUCEWRRSA-N 2 1 337.468 0.042 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064217 766841241 /nfs/dbraw/zinc/84/12/41/766841241.db2.gz IJXBRTSPEZVHSV-KRWDZBQOSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064217 766841249 /nfs/dbraw/zinc/84/12/49/766841249.db2.gz IJXBRTSPEZVHSV-KRWDZBQOSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064217 766841260 /nfs/dbraw/zinc/84/12/60/766841260.db2.gz IJXBRTSPEZVHSV-KRWDZBQOSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064358 766844279 /nfs/dbraw/zinc/84/42/79/766844279.db2.gz LMWXOFJDAYOZCC-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064358 766844286 /nfs/dbraw/zinc/84/42/86/766844286.db2.gz LMWXOFJDAYOZCC-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064358 766844296 /nfs/dbraw/zinc/84/42/96/766844296.db2.gz LMWXOFJDAYOZCC-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064359 766845186 /nfs/dbraw/zinc/84/51/86/766845186.db2.gz LMWXOFJDAYOZCC-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064359 766845195 /nfs/dbraw/zinc/84/51/95/766845195.db2.gz LMWXOFJDAYOZCC-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064359 766845205 /nfs/dbraw/zinc/84/52/05/766845205.db2.gz LMWXOFJDAYOZCC-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)CO2 ZINC001053804178 766891632 /nfs/dbraw/zinc/89/16/32/766891632.db2.gz MSHJPMRVLVCIMM-OAHLLOKOSA-N 2 1 347.463 0.594 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077087 766906949 /nfs/dbraw/zinc/90/69/49/766906949.db2.gz RRJNJXAFZBJHGE-QGZVFWFLSA-N 2 1 332.492 0.877 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260295 766924805 /nfs/dbraw/zinc/92/48/05/766924805.db2.gz AYIPGNWUCBUKRN-DLBZAZTESA-N 2 1 348.491 0.767 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)CO2 ZINC001053953711 767440433 /nfs/dbraw/zinc/44/04/33/767440433.db2.gz XZFIRKHXCSMAGU-MRXNPFEDSA-N 2 1 347.463 0.594 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144721 767739702 /nfs/dbraw/zinc/73/97/02/767739702.db2.gz CNDIWGKDSGDNOC-IEBWSBKVSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001054144721 767739705 /nfs/dbraw/zinc/73/97/05/767739705.db2.gz CNDIWGKDSGDNOC-IEBWSBKVSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000993855926 769765814 /nfs/dbraw/zinc/76/58/14/769765814.db2.gz WAZQCZQZILKJJJ-HNNXBMFYSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001018986182 770485853 /nfs/dbraw/zinc/48/58/53/770485853.db2.gz UMQDNVWWBWSPSO-YJBOKZPZSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001018986182 770485859 /nfs/dbraw/zinc/48/58/59/770485859.db2.gz UMQDNVWWBWSPSO-YJBOKZPZSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001020250694 772350425 /nfs/dbraw/zinc/35/04/25/772350425.db2.gz LMLXUCGERRIVDV-QAETUUGQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001020250694 772350430 /nfs/dbraw/zinc/35/04/30/772350430.db2.gz LMLXUCGERRIVDV-QAETUUGQSA-N 2 1 346.475 0.237 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001020250815 772352193 /nfs/dbraw/zinc/35/21/93/772352193.db2.gz RZSIJSPXKJJMQI-BZSNNMDCSA-N 2 1 343.475 0.834 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001020250815 772352198 /nfs/dbraw/zinc/35/21/98/772352198.db2.gz RZSIJSPXKJJMQI-BZSNNMDCSA-N 2 1 343.475 0.834 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001020250767 772352440 /nfs/dbraw/zinc/35/24/40/772352440.db2.gz PPHJJLBXHXBGMJ-BZSNNMDCSA-N 2 1 343.475 0.780 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001020250767 772352443 /nfs/dbraw/zinc/35/24/43/772352443.db2.gz PPHJJLBXHXBGMJ-BZSNNMDCSA-N 2 1 343.475 0.780 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C)C[C@@H]2n2ccnn2)CC1 ZINC001070102471 790614352 /nfs/dbraw/zinc/61/43/52/790614352.db2.gz LYKBVSRPWRBGOE-SJORKVTESA-N 2 1 342.447 0.151 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)C[C@@H]2n2ccnn2)CC1 ZINC001070102471 790614354 /nfs/dbraw/zinc/61/43/54/790614354.db2.gz LYKBVSRPWRBGOE-SJORKVTESA-N 2 1 342.447 0.151 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708569 781558591 /nfs/dbraw/zinc/55/85/91/781558591.db2.gz MNARHEOKYFAMNV-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708569 781558596 /nfs/dbraw/zinc/55/85/96/781558596.db2.gz MNARHEOKYFAMNV-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708569 781558605 /nfs/dbraw/zinc/55/86/05/781558605.db2.gz MNARHEOKYFAMNV-FCGDIQPGSA-N 2 1 341.455 0.516 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224140 783693334 /nfs/dbraw/zinc/69/33/34/783693334.db2.gz PKLYFBUOKGZMOV-IKGGRYGDSA-N 2 1 344.463 0.373 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494742 784188999 /nfs/dbraw/zinc/18/89/99/784188999.db2.gz GKSFPONOIMIOFN-PNBKFKSVSA-N 2 1 331.464 0.830 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964628 784249494 /nfs/dbraw/zinc/24/94/94/784249494.db2.gz RYOLYACTPIJIFY-HZPDHXFCSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964628 784249501 /nfs/dbraw/zinc/24/95/01/784249501.db2.gz RYOLYACTPIJIFY-HZPDHXFCSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964628 784249506 /nfs/dbraw/zinc/24/95/06/784249506.db2.gz RYOLYACTPIJIFY-HZPDHXFCSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689624 784556354 /nfs/dbraw/zinc/55/63/54/784556354.db2.gz IAZLTZNWJOXZII-ARFHVFGLSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227873 784786179 /nfs/dbraw/zinc/78/61/79/784786179.db2.gz LIOOYOYHCHEKKD-VQIMIIECSA-N 2 1 331.460 0.797 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660657 786902222 /nfs/dbraw/zinc/90/22/22/786902222.db2.gz KXGQZPCLFGTNDR-IXDOHACOSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660657 786902229 /nfs/dbraw/zinc/90/22/29/786902229.db2.gz KXGQZPCLFGTNDR-IXDOHACOSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660657 786902237 /nfs/dbraw/zinc/90/22/37/786902237.db2.gz KXGQZPCLFGTNDR-IXDOHACOSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660657 786902243 /nfs/dbraw/zinc/90/22/43/786902243.db2.gz KXGQZPCLFGTNDR-IXDOHACOSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C)C1=O ZINC001075111677 788921361 /nfs/dbraw/zinc/92/13/61/788921361.db2.gz NZGJQQKJUUMJSE-CWRNSKLLSA-N 2 1 345.447 0.557 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)C1=O ZINC001073430587 789832403 /nfs/dbraw/zinc/83/24/03/789832403.db2.gz IMSBJWVOMKTJAQ-MRXNPFEDSA-N 2 1 346.475 0.403 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611514 836045646 /nfs/dbraw/zinc/04/56/46/836045646.db2.gz MIRADBNYHRBBCP-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611514 836045656 /nfs/dbraw/zinc/04/56/56/836045656.db2.gz MIRADBNYHRBBCP-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611514 836045668 /nfs/dbraw/zinc/04/56/68/836045668.db2.gz MIRADBNYHRBBCP-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611514 836045678 /nfs/dbraw/zinc/04/56/78/836045678.db2.gz MIRADBNYHRBBCP-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001266712960 836187345 /nfs/dbraw/zinc/18/73/45/836187345.db2.gz KQKZKSCPWFTIHJ-KFWWJZLASA-N 2 1 345.447 0.293 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N(C)CC ZINC001266869829 836414910 /nfs/dbraw/zinc/41/49/10/836414910.db2.gz CIRAPSDNUMVLIV-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N(C)CC ZINC001266869829 836414912 /nfs/dbraw/zinc/41/49/12/836414912.db2.gz CIRAPSDNUMVLIV-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266880529 836427546 /nfs/dbraw/zinc/42/75/46/836427546.db2.gz LIWMBWWLBCEUPP-HZPDHXFCSA-N 2 1 336.480 0.437 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001266903239 836458384 /nfs/dbraw/zinc/45/83/84/836458384.db2.gz NAJPVOBEXUWABX-DMRKSPOLSA-N 2 1 348.491 0.406 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCc1nc(C)no1 ZINC001266950074 836514184 /nfs/dbraw/zinc/51/41/84/836514184.db2.gz LYOOJSGWDAKEBC-ZFWWWQNUSA-N 2 1 333.436 0.503 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCc1nc(C)no1 ZINC001266950074 836514187 /nfs/dbraw/zinc/51/41/87/836514187.db2.gz LYOOJSGWDAKEBC-ZFWWWQNUSA-N 2 1 333.436 0.503 20 30 ECEDMP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001267001333 836591679 /nfs/dbraw/zinc/59/16/79/836591679.db2.gz NSJJNKHBJQFWHJ-OAHLLOKOSA-N 2 1 347.463 0.863 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1snnc1C ZINC001267132168 836830937 /nfs/dbraw/zinc/83/09/37/836830937.db2.gz LVJIIBMNVGSFRB-OCCSQVGLSA-N 2 1 335.477 0.929 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1snnc1C ZINC001267132168 836830946 /nfs/dbraw/zinc/83/09/46/836830946.db2.gz LVJIIBMNVGSFRB-OCCSQVGLSA-N 2 1 335.477 0.929 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269407 837107469 /nfs/dbraw/zinc/10/74/69/837107469.db2.gz NMBMILXAIFKGSC-HUUCEWRRSA-N 2 1 336.480 0.742 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269407 837107477 /nfs/dbraw/zinc/10/74/77/837107477.db2.gz NMBMILXAIFKGSC-HUUCEWRRSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(C)C)CC1 ZINC001267282092 837130538 /nfs/dbraw/zinc/13/05/38/837130538.db2.gz OKNUDYJBNBZYIG-QGZVFWFLSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(C)C)CC1 ZINC001267282092 837130543 /nfs/dbraw/zinc/13/05/43/837130543.db2.gz OKNUDYJBNBZYIG-QGZVFWFLSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001267735416 838429009 /nfs/dbraw/zinc/42/90/09/838429009.db2.gz UTFKPYCHDHSXGB-IRXDYDNUSA-N 2 1 348.491 0.840 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001267735416 838429013 /nfs/dbraw/zinc/42/90/13/838429013.db2.gz UTFKPYCHDHSXGB-IRXDYDNUSA-N 2 1 348.491 0.840 20 30 ECEDMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800134 838577867 /nfs/dbraw/zinc/57/78/67/838577867.db2.gz NEUISGPCDUWSDX-QZTJIDSGSA-N 2 1 347.434 0.992 20 30 ECEDMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800134 838577871 /nfs/dbraw/zinc/57/78/71/838577871.db2.gz NEUISGPCDUWSDX-QZTJIDSGSA-N 2 1 347.434 0.992 20 30 ECEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(CC[NH2+]CC(=O)NCC#N)CC1 ZINC001267920628 838795807 /nfs/dbraw/zinc/79/58/07/838795807.db2.gz ASLDNHDFLVVENE-UHFFFAOYSA-N 2 1 337.468 0.185 20 30 ECEDMP C[C@@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+](C)C ZINC000496260484 295812945 /nfs/dbraw/zinc/81/29/45/295812945.db2.gz CVQIGNVVPHGPRK-STQMWFEESA-N 2 1 325.457 0.817 20 30 ECEDMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000543743030 302218196 /nfs/dbraw/zinc/21/81/96/302218196.db2.gz GAKXKEFDKWWJSK-GFCCVEGCSA-N 2 1 340.391 0.496 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[C@@H]1c2ccccc2NC1=O ZINC000170907336 436959956 /nfs/dbraw/zinc/95/99/56/436959956.db2.gz FWUWUVSKSSOERG-OAHLLOKOSA-N 2 1 345.447 0.739 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000296386498 436990653 /nfs/dbraw/zinc/99/06/53/436990653.db2.gz GAYUBGQLOMYIFR-UHFFFAOYSA-N 2 1 347.463 0.776 20 30 ECEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000180412591 437288340 /nfs/dbraw/zinc/28/83/40/437288340.db2.gz UANGWLMXYAIJOM-OAHLLOKOSA-N 2 1 342.509 0.968 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000180412591 437288344 /nfs/dbraw/zinc/28/83/44/437288344.db2.gz UANGWLMXYAIJOM-OAHLLOKOSA-N 2 1 342.509 0.968 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289348281 437403768 /nfs/dbraw/zinc/40/37/68/437403768.db2.gz FVPYYXBIWGHZMR-AWEZNQCLSA-N 2 1 327.473 0.202 20 30 ECEDMP COCc1nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000290512512 437496570 /nfs/dbraw/zinc/49/65/70/437496570.db2.gz IPIUQQZKHDXYDU-UHFFFAOYSA-N 2 1 327.454 0.416 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000343735971 437640047 /nfs/dbraw/zinc/64/00/47/437640047.db2.gz HCWIKBMVURWCAW-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000343734642 437641088 /nfs/dbraw/zinc/64/10/88/437641088.db2.gz DANBSMZXFSWSKW-QGZVFWFLSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000343769159 437650827 /nfs/dbraw/zinc/65/08/27/437650827.db2.gz SGSAIYXAZMBKQL-INIZCTEOSA-N 2 1 348.491 0.886 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343898553 437687454 /nfs/dbraw/zinc/68/74/54/437687454.db2.gz ZNFJSOBQOAVNAF-ZBFHGGJFSA-N 2 1 336.480 0.742 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000343928548 437701313 /nfs/dbraw/zinc/70/13/13/437701313.db2.gz VUWYQUVDYPXVFY-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181163 438200002 /nfs/dbraw/zinc/20/00/02/438200002.db2.gz LCPDKTUOAPGURH-CABCVRRESA-N 2 1 340.468 0.819 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000377751912 438326714 /nfs/dbraw/zinc/32/67/14/438326714.db2.gz YRCJPXVPUCLTSO-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(CC#N)CC3)CC2)CC1 ZINC000563382174 438863897 /nfs/dbraw/zinc/86/38/97/438863897.db2.gz DRRSCDYIIVBDLI-UHFFFAOYSA-N 2 1 347.507 0.850 20 30 ECEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000518172002 438989966 /nfs/dbraw/zinc/98/99/66/438989966.db2.gz LPGPGOIECNMUQW-RTBURBONSA-N 2 1 346.475 0.549 20 30 ECEDMP CN1C[C@H]([N@H+](C)CC#CC[NH+](C)[C@H]2CCC(=O)N(C)C2)CCC1=O ZINC000580212900 439073208 /nfs/dbraw/zinc/07/32/08/439073208.db2.gz ADVQZRHXIXAUJA-IYBDPMFKSA-N 2 1 334.464 0.095 20 30 ECEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000581488900 439216802 /nfs/dbraw/zinc/21/68/02/439216802.db2.gz DMNWWTNGVYMUNP-IRXDYDNUSA-N 2 1 333.432 0.734 20 30 ECEDMP C#CCNC(=O)CC[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000491325681 439366158 /nfs/dbraw/zinc/36/61/58/439366158.db2.gz FWZZJDRRWYUJPW-OAHLLOKOSA-N 2 1 334.489 0.766 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000491678554 439426550 /nfs/dbraw/zinc/42/65/50/439426550.db2.gz BQOMWDXEQFQALR-UHFFFAOYSA-N 2 1 336.480 0.886 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336096 441015333 /nfs/dbraw/zinc/01/53/33/441015333.db2.gz UQOBZSYMWANUOO-CQSZACIVSA-N 2 1 332.452 0.301 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336096 441015342 /nfs/dbraw/zinc/01/53/42/441015342.db2.gz UQOBZSYMWANUOO-CQSZACIVSA-N 2 1 332.452 0.301 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668836248 547762846 /nfs/dbraw/zinc/76/28/46/547762846.db2.gz UOLXOYLAAYUSPB-OAHLLOKOSA-N 2 1 336.480 0.742 20 30 ECEDMP C=C1[C@H](C(=O)N2CCC[NH+](C)CC2)[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000899935883 586513937 /nfs/dbraw/zinc/51/39/37/586513937.db2.gz SFFRIZXWLSKJJF-HOTGVXAUSA-N 2 1 334.464 0.117 20 30 ECEDMP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003256 587464116 /nfs/dbraw/zinc/46/41/16/587464116.db2.gz CNTGEUIPBONTPH-DLBZAZTESA-N 2 1 330.432 0.769 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852827809 589515842 /nfs/dbraw/zinc/51/58/42/589515842.db2.gz PYJYFWOOLRJXRG-SVRRBLITSA-N 2 1 341.234 0.955 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214254 589808177 /nfs/dbraw/zinc/80/81/77/589808177.db2.gz HBVYOFWKZIXEGP-UHFFFAOYSA-N 3 1 342.487 0.957 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214254 589808178 /nfs/dbraw/zinc/80/81/78/589808178.db2.gz HBVYOFWKZIXEGP-UHFFFAOYSA-N 3 1 342.487 0.957 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875182716 590279149 /nfs/dbraw/zinc/27/91/49/590279149.db2.gz WNLMRPXTEXNBNG-GOEBONIOSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000888884945 590458145 /nfs/dbraw/zinc/45/81/45/590458145.db2.gz GBQCMBWFWHMKKX-IRXDYDNUSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000888884945 590458146 /nfs/dbraw/zinc/45/81/46/590458146.db2.gz GBQCMBWFWHMKKX-IRXDYDNUSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000888884945 590458149 /nfs/dbraw/zinc/45/81/49/590458149.db2.gz GBQCMBWFWHMKKX-IRXDYDNUSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000888884945 590458150 /nfs/dbraw/zinc/45/81/50/590458150.db2.gz GBQCMBWFWHMKKX-IRXDYDNUSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884158173 590756855 /nfs/dbraw/zinc/75/68/55/590756855.db2.gz SXOJULGUMFOUNA-FUHWJXTLSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000884158173 590756857 /nfs/dbraw/zinc/75/68/57/590756857.db2.gz SXOJULGUMFOUNA-FUHWJXTLSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884158174 590756951 /nfs/dbraw/zinc/75/69/51/590756951.db2.gz SXOJULGUMFOUNA-SJLPKXTDSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000884158174 590756953 /nfs/dbraw/zinc/75/69/53/590756953.db2.gz SXOJULGUMFOUNA-SJLPKXTDSA-N 2 1 348.491 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000890368216 591153647 /nfs/dbraw/zinc/15/36/47/591153647.db2.gz FOZYLUMUFJCQER-MRXNPFEDSA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000890368216 591153649 /nfs/dbraw/zinc/15/36/49/591153649.db2.gz FOZYLUMUFJCQER-MRXNPFEDSA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946627679 611373529 /nfs/dbraw/zinc/37/35/29/611373529.db2.gz AAYJLKSKSTZYFJ-BDXSIMOUSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946627679 611373531 /nfs/dbraw/zinc/37/35/31/611373531.db2.gz AAYJLKSKSTZYFJ-BDXSIMOUSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946627679 611373533 /nfs/dbraw/zinc/37/35/33/611373533.db2.gz AAYJLKSKSTZYFJ-BDXSIMOUSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946627679 611373535 /nfs/dbraw/zinc/37/35/35/611373535.db2.gz AAYJLKSKSTZYFJ-BDXSIMOUSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180947 611523595 /nfs/dbraw/zinc/52/35/95/611523595.db2.gz SONUGVFVSXWKNV-XSYGEPLQSA-N 2 1 347.503 0.928 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](C[C@H](C)O)CCO2 ZINC000949385849 608663438 /nfs/dbraw/zinc/66/34/38/608663438.db2.gz DNZOKYFSHUIAJX-IRXDYDNUSA-N 2 1 349.475 0.158 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000949385849 608663440 /nfs/dbraw/zinc/66/34/40/608663440.db2.gz DNZOKYFSHUIAJX-IRXDYDNUSA-N 2 1 349.475 0.158 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](C[C@H](C)O)CCO2 ZINC000949385849 608663441 /nfs/dbraw/zinc/66/34/41/608663441.db2.gz DNZOKYFSHUIAJX-IRXDYDNUSA-N 2 1 349.475 0.158 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](C[C@H](C)O)CCO2 ZINC000949385849 608663443 /nfs/dbraw/zinc/66/34/43/608663443.db2.gz DNZOKYFSHUIAJX-IRXDYDNUSA-N 2 1 349.475 0.158 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000937756049 609060684 /nfs/dbraw/zinc/06/06/84/609060684.db2.gz MLAJVGQMBWDRPZ-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000941237568 610621086 /nfs/dbraw/zinc/62/10/86/610621086.db2.gz CIVFNAUPRRVJJH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000941237568 610621089 /nfs/dbraw/zinc/62/10/89/610621089.db2.gz CIVFNAUPRRVJJH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000941237568 610621092 /nfs/dbraw/zinc/62/10/92/610621092.db2.gz CIVFNAUPRRVJJH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000941237568 610621095 /nfs/dbraw/zinc/62/10/95/610621095.db2.gz CIVFNAUPRRVJJH-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000941395497 610716071 /nfs/dbraw/zinc/71/60/71/610716071.db2.gz VLUVAXSHIHVZSW-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000941395497 610716074 /nfs/dbraw/zinc/71/60/74/610716074.db2.gz VLUVAXSHIHVZSW-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000941395497 610716077 /nfs/dbraw/zinc/71/60/77/610716077.db2.gz VLUVAXSHIHVZSW-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000941395497 610716079 /nfs/dbraw/zinc/71/60/79/610716079.db2.gz VLUVAXSHIHVZSW-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946815473 611169826 /nfs/dbraw/zinc/16/98/26/611169826.db2.gz AAOMIICKVUHLHS-CALCHBBNSA-N 2 1 343.475 0.862 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946894762 611236247 /nfs/dbraw/zinc/23/62/47/611236247.db2.gz GSEWACUBPCRZMS-OKZBNKHCSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000929399866 611751211 /nfs/dbraw/zinc/75/12/11/611751211.db2.gz WKHQYKYRWQERHH-MRXNPFEDSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000950755766 611891460 /nfs/dbraw/zinc/89/14/60/611891460.db2.gz UCAKTNWJZVSUOR-XHSDSOJGSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000950755766 611891461 /nfs/dbraw/zinc/89/14/61/611891461.db2.gz UCAKTNWJZVSUOR-XHSDSOJGSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000951224006 612089031 /nfs/dbraw/zinc/08/90/31/612089031.db2.gz VWTBATFOYYTSNC-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000951224006 612089033 /nfs/dbraw/zinc/08/90/33/612089033.db2.gz VWTBATFOYYTSNC-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000954630347 612467124 /nfs/dbraw/zinc/46/71/24/612467124.db2.gz CONFKMNTFCFHLH-CVEARBPZSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000954630347 612467127 /nfs/dbraw/zinc/46/71/27/612467127.db2.gz CONFKMNTFCFHLH-CVEARBPZSA-N 2 1 334.464 0.093 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC(=O)NC)CC1 ZINC000969155999 731536379 /nfs/dbraw/zinc/53/63/79/731536379.db2.gz GWYZLJGDTZWWOI-QGZVFWFLSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(=O)NC)CC1 ZINC000969155999 731536382 /nfs/dbraw/zinc/53/63/82/731536382.db2.gz GWYZLJGDTZWWOI-QGZVFWFLSA-N 2 1 348.491 0.438 20 30 ECEDMP CN1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)C1 ZINC000971271045 734414928 /nfs/dbraw/zinc/41/49/28/734414928.db2.gz JNPIWEYQPFNYCH-CZUORRHYSA-N 2 1 348.472 0.983 20 30 ECEDMP CN(Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000971271045 734414929 /nfs/dbraw/zinc/41/49/29/734414929.db2.gz JNPIWEYQPFNYCH-CZUORRHYSA-N 2 1 348.472 0.983 20 30 ECEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001098569631 736080982 /nfs/dbraw/zinc/08/09/82/736080982.db2.gz VOUFMEVOHYTDAQ-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001098569631 736080986 /nfs/dbraw/zinc/08/09/86/736080986.db2.gz VOUFMEVOHYTDAQ-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098569631 736080990 /nfs/dbraw/zinc/08/09/90/736080990.db2.gz VOUFMEVOHYTDAQ-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098569631 736080992 /nfs/dbraw/zinc/08/09/92/736080992.db2.gz VOUFMEVOHYTDAQ-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098569631 736080995 /nfs/dbraw/zinc/08/09/95/736080995.db2.gz VOUFMEVOHYTDAQ-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2O)CC1 ZINC001078227076 782523882 /nfs/dbraw/zinc/52/38/82/782523882.db2.gz HZXBFZUPLSVYAO-QZTJIDSGSA-N 2 1 347.503 0.929 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001023761920 737326539 /nfs/dbraw/zinc/32/65/39/737326539.db2.gz MQCSYELHCRKSGI-NVXWUHKLSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734985 737570344 /nfs/dbraw/zinc/57/03/44/737570344.db2.gz IOOSMIOZESUEAX-JKSUJKDBSA-N 2 1 346.475 0.402 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(=O)NC)C2)CC1 ZINC001025629062 739793341 /nfs/dbraw/zinc/79/33/41/739793341.db2.gz ZOYNEQAZXNCWMK-RDJZCZTQSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001026140509 740410579 /nfs/dbraw/zinc/41/05/79/740410579.db2.gz WZZCNNMMXUMACR-RNGZQALNSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140509 740410583 /nfs/dbraw/zinc/41/05/83/740410583.db2.gz WZZCNNMMXUMACR-RNGZQALNSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140509 740410585 /nfs/dbraw/zinc/41/05/85/740410585.db2.gz WZZCNNMMXUMACR-RNGZQALNSA-N 2 1 346.475 0.162 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149317 740424884 /nfs/dbraw/zinc/42/48/84/740424884.db2.gz HGZGKWPKLSMPGI-IKLKHMQRSA-N 2 1 345.487 0.946 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105326806 741805895 /nfs/dbraw/zinc/80/58/95/741805895.db2.gz GZMKCSOIWHDXDB-PBHICJAKSA-N 2 1 346.479 0.915 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001029002804 743155644 /nfs/dbraw/zinc/15/56/44/743155644.db2.gz YVMXVHNRGSHKCZ-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168240424 751959350 /nfs/dbraw/zinc/95/93/50/751959350.db2.gz KCVFRWZZNBRVJH-INIZCTEOSA-N 2 1 339.480 0.786 20 30 ECEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168240424 751959355 /nfs/dbraw/zinc/95/93/55/751959355.db2.gz KCVFRWZZNBRVJH-INIZCTEOSA-N 2 1 339.480 0.786 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999964185 745108120 /nfs/dbraw/zinc/10/81/20/745108120.db2.gz VWYMLYMIPGCHAU-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964185 745108121 /nfs/dbraw/zinc/10/81/21/745108121.db2.gz VWYMLYMIPGCHAU-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999964185 745108123 /nfs/dbraw/zinc/10/81/23/745108123.db2.gz VWYMLYMIPGCHAU-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999987971 745143449 /nfs/dbraw/zinc/14/34/49/745143449.db2.gz RQUIBDDTCLTRSN-IAGOWNOFSA-N 2 1 342.447 0.116 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995452 745154576 /nfs/dbraw/zinc/15/45/76/745154576.db2.gz GHFJPUNULYPDIC-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995452 745154577 /nfs/dbraw/zinc/15/45/77/745154577.db2.gz GHFJPUNULYPDIC-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999995452 745154578 /nfs/dbraw/zinc/15/45/78/745154578.db2.gz GHFJPUNULYPDIC-IRXDYDNUSA-N 2 1 344.463 0.649 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000034425 745209215 /nfs/dbraw/zinc/20/92/15/745209215.db2.gz HIXFQEQWDOVLMU-MRXNPFEDSA-N 2 1 344.463 0.813 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656359 745348441 /nfs/dbraw/zinc/34/84/41/745348441.db2.gz PVZDARFUHFFMSY-DZGCQCFKSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656359 745348446 /nfs/dbraw/zinc/34/84/46/745348446.db2.gz PVZDARFUHFFMSY-DZGCQCFKSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1C ZINC001088574695 752044194 /nfs/dbraw/zinc/04/41/94/752044194.db2.gz KWLIXDQAIHNTFM-BGTYHANMSA-N 2 1 333.476 0.946 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2CC)CC1 ZINC001087840043 746464291 /nfs/dbraw/zinc/46/42/91/746464291.db2.gz DXFPSCXRIUCRIX-JKSUJKDBSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@@H]2CC)CC1 ZINC001087840043 746464294 /nfs/dbraw/zinc/46/42/94/746464294.db2.gz DXFPSCXRIUCRIX-JKSUJKDBSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342574 747582557 /nfs/dbraw/zinc/58/25/57/747582557.db2.gz LLNXCTJVACPQBU-NVXWUHKLSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342574 747582564 /nfs/dbraw/zinc/58/25/64/747582564.db2.gz LLNXCTJVACPQBU-NVXWUHKLSA-N 2 1 344.463 0.954 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088201927 747734015 /nfs/dbraw/zinc/73/40/15/747734015.db2.gz BQLCRRFSGIJKJV-KURKYZTESA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985476916 748212469 /nfs/dbraw/zinc/21/24/69/748212469.db2.gz WHWIKKIGRRTWSC-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985476916 748212473 /nfs/dbraw/zinc/21/24/73/748212473.db2.gz WHWIKKIGRRTWSC-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985476916 748212477 /nfs/dbraw/zinc/21/24/77/748212477.db2.gz WHWIKKIGRRTWSC-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985476916 748212479 /nfs/dbraw/zinc/21/24/79/748212479.db2.gz WHWIKKIGRRTWSC-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cncn2C)C1 ZINC001029757441 748266883 /nfs/dbraw/zinc/26/68/83/748266883.db2.gz BLWZZRFOUNETNU-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cncn2C)C1 ZINC001029757441 748266888 /nfs/dbraw/zinc/26/68/88/748266888.db2.gz BLWZZRFOUNETNU-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cncn2C)C1 ZINC001029757441 748266893 /nfs/dbraw/zinc/26/68/93/748266893.db2.gz BLWZZRFOUNETNU-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cncn2C)C1 ZINC001029757441 748266898 /nfs/dbraw/zinc/26/68/98/748266898.db2.gz BLWZZRFOUNETNU-AEFFLSMTSA-N 2 1 343.475 0.798 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC000979721303 748285579 /nfs/dbraw/zinc/28/55/79/748285579.db2.gz YPYYYOMRXHRYPQ-ULQDDVLXSA-N 2 1 343.475 0.908 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000979966769 748758183 /nfs/dbraw/zinc/75/81/83/748758183.db2.gz FSGJXBCHKFGLJX-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000979966769 748758187 /nfs/dbraw/zinc/75/81/87/748758187.db2.gz FSGJXBCHKFGLJX-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000979966769 748758192 /nfs/dbraw/zinc/75/81/92/748758192.db2.gz FSGJXBCHKFGLJX-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000979966769 748758195 /nfs/dbraw/zinc/75/81/95/748758195.db2.gz FSGJXBCHKFGLJX-VQHPVUNQSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098733383 749105496 /nfs/dbraw/zinc/10/54/96/749105496.db2.gz JGHIMXSNZHZCQM-RDJZCZTQSA-N 2 1 344.463 0.506 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888747 749126769 /nfs/dbraw/zinc/12/67/69/749126769.db2.gz YWQLANONYVWGQZ-KURKYZTESA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)CC1 ZINC000985805247 749140351 /nfs/dbraw/zinc/14/03/51/749140351.db2.gz VOWFGKMPQYUQMR-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cncn3C)CC2)CC1 ZINC001004209289 749319570 /nfs/dbraw/zinc/31/95/70/749319570.db2.gz SGGUEHFFQZQJKC-UHFFFAOYSA-N 2 1 343.475 0.846 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001029904136 749534460 /nfs/dbraw/zinc/53/44/60/749534460.db2.gz NYQCTWQAPBNEFB-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167835126 750466453 /nfs/dbraw/zinc/46/64/53/750466453.db2.gz AYTKCXPQACBJGN-HNNXBMFYSA-N 2 1 338.496 0.895 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118095 751005485 /nfs/dbraw/zinc/00/54/85/751005485.db2.gz WPIUDCAFCXGZQQ-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902055 751258515 /nfs/dbraw/zinc/25/85/15/751258515.db2.gz ZEWISQVUCNCDTC-KOHRHEQBSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902055 751258517 /nfs/dbraw/zinc/25/85/17/751258517.db2.gz ZEWISQVUCNCDTC-KOHRHEQBSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981902055 751258521 /nfs/dbraw/zinc/25/85/21/751258521.db2.gz ZEWISQVUCNCDTC-KOHRHEQBSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001028601594 753882465 /nfs/dbraw/zinc/88/24/65/753882465.db2.gz QWKUDHJWISVPOH-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001028601594 753882472 /nfs/dbraw/zinc/88/24/72/753882472.db2.gz QWKUDHJWISVPOH-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001028601594 753882479 /nfs/dbraw/zinc/88/24/79/753882479.db2.gz QWKUDHJWISVPOH-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001028601594 753882486 /nfs/dbraw/zinc/88/24/86/753882486.db2.gz QWKUDHJWISVPOH-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@H]3CCN(C)C3=O)CC2)CC1 ZINC000989735021 754366684 /nfs/dbraw/zinc/36/66/84/754366684.db2.gz OOIXAUHZBHSTFV-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)CC1 ZINC000989735021 754366690 /nfs/dbraw/zinc/36/66/90/754366690.db2.gz OOIXAUHZBHSTFV-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030020582 755594697 /nfs/dbraw/zinc/59/46/97/755594697.db2.gz UILPGVQUBCBARQ-ULQDDVLXSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672645 755786162 /nfs/dbraw/zinc/78/61/62/755786162.db2.gz CHTBPPGVPFTCAN-FPAYPSAMSA-N 2 1 335.492 0.926 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001076597075 756710983 /nfs/dbraw/zinc/71/09/83/756710983.db2.gz YCCAGGPOXVKFJK-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001076597075 756710986 /nfs/dbraw/zinc/71/09/86/756710986.db2.gz YCCAGGPOXVKFJK-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[NH+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@H]2C1 ZINC001048831378 757134771 /nfs/dbraw/zinc/13/47/71/757134771.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[NH+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@H]2C1 ZINC001048831378 757134774 /nfs/dbraw/zinc/13/47/74/757134774.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@H]2C1 ZINC001048831378 757134778 /nfs/dbraw/zinc/13/47/78/757134778.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 2 1 327.432 0.813 20 30 ECEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@H]2C1 ZINC001048831378 757134782 /nfs/dbraw/zinc/13/47/82/757134782.db2.gz QDSVZIVHFRFXNQ-VBQJREDUSA-N 2 1 327.432 0.813 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107180337 757299294 /nfs/dbraw/zinc/29/92/94/757299294.db2.gz NCLYGIQEAPNFHB-INIZCTEOSA-N 2 1 334.468 0.913 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001077021893 757960410 /nfs/dbraw/zinc/96/04/10/757960410.db2.gz BNRSPUNCRVKFTP-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001077021893 757960415 /nfs/dbraw/zinc/96/04/15/757960415.db2.gz BNRSPUNCRVKFTP-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001077021893 757960417 /nfs/dbraw/zinc/96/04/17/757960417.db2.gz BNRSPUNCRVKFTP-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001077021893 757960420 /nfs/dbraw/zinc/96/04/20/757960420.db2.gz BNRSPUNCRVKFTP-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001021926217 758070486 /nfs/dbraw/zinc/07/04/86/758070486.db2.gz GOTVSRLQPKTYCA-BBWFWOEESA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001021926217 758070496 /nfs/dbraw/zinc/07/04/96/758070496.db2.gz GOTVSRLQPKTYCA-BBWFWOEESA-N 2 1 328.416 0.626 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(CC)nn2)CC1 ZINC000996686602 758499644 /nfs/dbraw/zinc/49/96/44/758499644.db2.gz VDNROIMJSOGXOE-KRWDZBQOSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(CC)nn2)CC1 ZINC000996686602 758499648 /nfs/dbraw/zinc/49/96/48/758499648.db2.gz VDNROIMJSOGXOE-KRWDZBQOSA-N 2 1 344.463 0.476 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001022293260 758530411 /nfs/dbraw/zinc/53/04/11/758530411.db2.gz SRCOCCSXCJVHSH-QKPAOTATSA-N 2 1 334.464 0.494 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001127779262 758644166 /nfs/dbraw/zinc/64/41/66/758644166.db2.gz KIJQQJDJOKYFJS-NVXWUHKLSA-N 2 1 346.406 0.766 20 30 ECEDMP C=CCN1CC[C@H](N2CC(CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205707 759621912 /nfs/dbraw/zinc/62/19/12/759621912.db2.gz FXZBOLWSDYACSE-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205707 759621917 /nfs/dbraw/zinc/62/19/17/759621917.db2.gz FXZBOLWSDYACSE-SJORKVTESA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001032207325 759638009 /nfs/dbraw/zinc/63/80/09/759638009.db2.gz MXOYWVJKSIHZNA-QGZVFWFLSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722881 767951458 /nfs/dbraw/zinc/95/14/58/767951458.db2.gz MIYIDASZKULPSI-KURKYZTESA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722881 767951463 /nfs/dbraw/zinc/95/14/63/767951463.db2.gz MIYIDASZKULPSI-KURKYZTESA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722881 767951468 /nfs/dbraw/zinc/95/14/68/767951468.db2.gz MIYIDASZKULPSI-KURKYZTESA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722881 767951471 /nfs/dbraw/zinc/95/14/71/767951471.db2.gz MIYIDASZKULPSI-KURKYZTESA-N 2 1 333.476 0.968 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N(C)C)CC2 ZINC001050549673 760474653 /nfs/dbraw/zinc/47/46/53/760474653.db2.gz BCYSPHLXHINRSV-INIZCTEOSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N(C)C)CC2 ZINC001050549673 760474659 /nfs/dbraw/zinc/47/46/59/760474659.db2.gz BCYSPHLXHINRSV-INIZCTEOSA-N 2 1 346.475 0.097 20 30 ECEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598931 760551465 /nfs/dbraw/zinc/55/14/65/760551465.db2.gz XSLUZPUWJNOXJN-KOHRHEQBSA-N 2 1 331.460 0.960 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940527624 763367252 /nfs/dbraw/zinc/36/72/52/763367252.db2.gz BCAQMIRMIZFXDW-DLBZAZTESA-N 2 1 346.475 0.000 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001051932010 763370695 /nfs/dbraw/zinc/37/06/95/763370695.db2.gz KGGDEGRYNSKQCB-KGLIPLIRSA-N 2 1 348.472 0.888 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001051932012 763371254 /nfs/dbraw/zinc/37/12/54/763371254.db2.gz KGGDEGRYNSKQCB-ZIAGYGMSSA-N 2 1 348.472 0.888 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031781 763633644 /nfs/dbraw/zinc/63/36/44/763633644.db2.gz WRCZPLKKXKYDPP-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031781 763633649 /nfs/dbraw/zinc/63/36/49/763633649.db2.gz WRCZPLKKXKYDPP-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040724 763663995 /nfs/dbraw/zinc/66/39/95/763663995.db2.gz GEMQNHGMXQWYAB-IRXDYDNUSA-N 2 1 333.480 0.603 20 30 ECEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052040724 763663996 /nfs/dbraw/zinc/66/39/96/763663996.db2.gz GEMQNHGMXQWYAB-IRXDYDNUSA-N 2 1 333.480 0.603 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCOC)C3)CC1 ZINC001047209751 763804218 /nfs/dbraw/zinc/80/42/18/763804218.db2.gz WUEIEHHVPCHHOF-JQHSSLGASA-N 2 1 333.476 0.947 20 30 ECEDMP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052094300 763839739 /nfs/dbraw/zinc/83/97/39/763839739.db2.gz RTWFGTCGNPIGSQ-QGZVFWFLSA-N 2 1 333.480 0.460 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766754 764564455 /nfs/dbraw/zinc/56/44/55/764564455.db2.gz GRBKBTUNSOOIOB-DOTOQJQBSA-N 2 1 344.463 0.506 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774126 764934777 /nfs/dbraw/zinc/93/47/77/764934777.db2.gz NSFLQLMJCFFNGT-QGZVFWFLSA-N 2 1 346.479 0.896 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046043202 766760181 /nfs/dbraw/zinc/76/01/81/766760181.db2.gz YAVTVJTZCFLBHF-SFHVURJKSA-N 2 1 344.503 0.857 20 30 ECEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741452 766829334 /nfs/dbraw/zinc/82/93/34/766829334.db2.gz XABQLGOFBCYVAE-BWRBCVJASA-N 2 1 329.444 0.454 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CC=C)C3)CC2)CC1 ZINC001046085069 766925931 /nfs/dbraw/zinc/92/59/31/766925931.db2.gz DPHAZYVAHQPSGJ-IBGZPJMESA-N 2 1 344.503 0.736 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106907976 767104982 /nfs/dbraw/zinc/10/49/82/767104982.db2.gz KMZZGXXAAYWMJS-BZUAXINKSA-N 2 1 338.496 0.703 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875569 767111800 /nfs/dbraw/zinc/11/18/00/767111800.db2.gz GECKDKIOQHFSEE-NDUQDZPOSA-N 2 1 347.459 0.385 20 30 ECEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875569 767111805 /nfs/dbraw/zinc/11/18/05/767111805.db2.gz GECKDKIOQHFSEE-NDUQDZPOSA-N 2 1 347.459 0.385 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046969 790442626 /nfs/dbraw/zinc/44/26/26/790442626.db2.gz YWPXZHPNYGRXNL-CVEARBPZSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046969 790442635 /nfs/dbraw/zinc/44/26/35/790442635.db2.gz YWPXZHPNYGRXNL-CVEARBPZSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451237 784113097 /nfs/dbraw/zinc/11/30/97/784113097.db2.gz WCOKRNWOLVFILJ-LSDHHAIUSA-N 2 1 344.463 0.479 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451237 784113100 /nfs/dbraw/zinc/11/31/00/784113100.db2.gz WCOKRNWOLVFILJ-LSDHHAIUSA-N 2 1 344.463 0.479 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC001070922049 784120137 /nfs/dbraw/zinc/12/01/37/784120137.db2.gz YNJHDNKGNIUOMG-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC001070922049 784120140 /nfs/dbraw/zinc/12/01/40/784120140.db2.gz YNJHDNKGNIUOMG-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001070970538 784269698 /nfs/dbraw/zinc/26/96/98/784269698.db2.gz KTIJPQPOVPHZBK-KRWDZBQOSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001070970538 784269703 /nfs/dbraw/zinc/26/97/03/784269703.db2.gz KTIJPQPOVPHZBK-KRWDZBQOSA-N 2 1 336.480 0.553 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001071098336 784538520 /nfs/dbraw/zinc/53/85/20/784538520.db2.gz JZCIGTSQTVVSRA-SUMDDJOVSA-N 2 1 333.476 0.947 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603970 786755248 /nfs/dbraw/zinc/75/52/48/786755248.db2.gz SWBVYMLKHVDVTQ-MRXNPFEDSA-N 2 1 349.479 0.842 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700393 787000770 /nfs/dbraw/zinc/00/07/70/787000770.db2.gz KTTOKGGWJDXERA-VZDIDWBNSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700393 787000773 /nfs/dbraw/zinc/00/07/73/787000773.db2.gz KTTOKGGWJDXERA-VZDIDWBNSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700393 787000780 /nfs/dbraw/zinc/00/07/80/787000780.db2.gz KTTOKGGWJDXERA-VZDIDWBNSA-N 2 1 349.475 0.633 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709872 787019237 /nfs/dbraw/zinc/01/92/37/787019237.db2.gz KRLXDWKZPLKSJE-ISXWCOSWSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709872 787019246 /nfs/dbraw/zinc/01/92/46/787019246.db2.gz KRLXDWKZPLKSJE-ISXWCOSWSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709872 787019256 /nfs/dbraw/zinc/01/92/56/787019256.db2.gz KRLXDWKZPLKSJE-ISXWCOSWSA-N 2 1 347.459 0.080 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073895762 787463146 /nfs/dbraw/zinc/46/31/46/787463146.db2.gz AYDOVGIUBALODT-IRXDYDNUSA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073895762 787463149 /nfs/dbraw/zinc/46/31/49/787463149.db2.gz AYDOVGIUBALODT-IRXDYDNUSA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073895762 787463157 /nfs/dbraw/zinc/46/31/57/787463157.db2.gz AYDOVGIUBALODT-IRXDYDNUSA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073895762 787463165 /nfs/dbraw/zinc/46/31/65/787463165.db2.gz AYDOVGIUBALODT-IRXDYDNUSA-N 2 1 339.480 0.880 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)COC)C3)CC1 ZINC001073457214 789864151 /nfs/dbraw/zinc/86/41/51/789864151.db2.gz GGMJYXRXMPWDPD-MRXNPFEDSA-N 2 1 333.476 0.901 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531319 837703874 /nfs/dbraw/zinc/70/38/74/837703874.db2.gz QBEVXTGXMOCYBX-CVEARBPZSA-N 2 1 349.479 0.327 20 30 ECEDMP C=CCOCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267576225 837828881 /nfs/dbraw/zinc/82/88/81/837828881.db2.gz UIDHAPFELQTKLL-KRWDZBQOSA-N 2 1 338.496 0.217 20 30 ECEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266326150 835704099 /nfs/dbraw/zinc/70/40/99/835704099.db2.gz YNMSGGNWUXTTEY-MRXNPFEDSA-N 2 1 339.480 0.738 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266379339 835790629 /nfs/dbraw/zinc/79/06/29/835790629.db2.gz FRGOQWOCRYDCNP-JKSUJKDBSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560377 835988725 /nfs/dbraw/zinc/98/87/25/835988725.db2.gz JYVRTQWTUQMAMJ-DOTOQJQBSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001267324972 837203071 /nfs/dbraw/zinc/20/30/71/837203071.db2.gz AHGOQIRLUDRJGF-IJEWVQPXSA-N 2 1 336.480 0.598 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001267324972 837203082 /nfs/dbraw/zinc/20/30/82/837203082.db2.gz AHGOQIRLUDRJGF-IJEWVQPXSA-N 2 1 336.480 0.598 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001267324972 837203090 /nfs/dbraw/zinc/20/30/90/837203090.db2.gz AHGOQIRLUDRJGF-IJEWVQPXSA-N 2 1 336.480 0.598 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001267324972 837203099 /nfs/dbraw/zinc/20/30/99/837203099.db2.gz AHGOQIRLUDRJGF-IJEWVQPXSA-N 2 1 336.480 0.598 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702712 838300397 /nfs/dbraw/zinc/30/03/97/838300397.db2.gz IJJQZDSDMZRZII-HOTGVXAUSA-N 2 1 346.475 0.000 20 30 ECEDMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800132 838578196 /nfs/dbraw/zinc/57/81/96/838578196.db2.gz NEUISGPCDUWSDX-MSOLQXFVSA-N 2 1 347.434 0.992 20 30 ECEDMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001267800132 838578198 /nfs/dbraw/zinc/57/81/98/838578198.db2.gz NEUISGPCDUWSDX-MSOLQXFVSA-N 2 1 347.434 0.992 20 30 ECEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268084680 839285578 /nfs/dbraw/zinc/28/55/78/839285578.db2.gz GVARYYFWAUGRFI-OAHLLOKOSA-N 2 1 348.447 0.970 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC#N ZINC000129734319 285251061 /nfs/dbraw/zinc/25/10/61/285251061.db2.gz KFBRHFRUDOADAA-OAHLLOKOSA-N 2 1 345.513 0.425 20 30 ECEDMP C[N@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120596 436406626 /nfs/dbraw/zinc/40/66/26/436406626.db2.gz ZQBFFYOZSYGPPH-AWEZNQCLSA-N 2 1 337.468 0.961 20 30 ECEDMP C[N@@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000089120596 436406631 /nfs/dbraw/zinc/40/66/31/436406631.db2.gz ZQBFFYOZSYGPPH-AWEZNQCLSA-N 2 1 337.468 0.961 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262595621 436938104 /nfs/dbraw/zinc/93/81/04/436938104.db2.gz WQXMSRZDJSAQKJ-OAHLLOKOSA-N 2 1 348.451 0.090 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nnc2n1CCCCC2 ZINC000303788817 437158063 /nfs/dbraw/zinc/15/80/63/437158063.db2.gz UTPUZHJSRTUGRV-AWEZNQCLSA-N 2 1 333.484 0.936 20 30 ECEDMP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000329018835 437304013 /nfs/dbraw/zinc/30/40/13/437304013.db2.gz HFBJEZKZBACAIX-CABCVRRESA-N 2 1 339.484 0.479 20 30 ECEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000329018835 437304014 /nfs/dbraw/zinc/30/40/14/437304014.db2.gz HFBJEZKZBACAIX-CABCVRRESA-N 2 1 339.484 0.479 20 30 ECEDMP C[N@@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000267388667 437326784 /nfs/dbraw/zinc/32/67/84/437326784.db2.gz CHNATSBJDMOVIH-UHFFFAOYSA-N 2 1 331.468 0.788 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343757528 437647955 /nfs/dbraw/zinc/64/79/55/437647955.db2.gz GHELJHKKONIQIE-GDBMZVCRSA-N 2 1 336.480 0.742 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000347021943 437826876 /nfs/dbraw/zinc/82/68/76/437826876.db2.gz XPEXIADKSWPQNA-HNNXBMFYSA-N 2 1 337.468 0.276 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)CCCC)CC1 ZINC000358124580 438159944 /nfs/dbraw/zinc/15/99/44/438159944.db2.gz HREVLFLSCKWQCX-UHFFFAOYSA-N 2 1 338.496 0.991 20 30 ECEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000576947042 438805673 /nfs/dbraw/zinc/80/56/73/438805673.db2.gz HHVFDRLZROSOLE-QGZVFWFLSA-N 2 1 329.448 0.946 20 30 ECEDMP C#CCNC(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000491155310 439339370 /nfs/dbraw/zinc/33/93/70/439339370.db2.gz QNBSEAYYHOEWRT-UHFFFAOYSA-N 2 1 342.487 0.876 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000491716235 439435549 /nfs/dbraw/zinc/43/55/49/439435549.db2.gz MPFDCOUCKLLKJE-SFHVURJKSA-N 2 1 349.523 0.753 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000491716235 439435552 /nfs/dbraw/zinc/43/55/52/439435552.db2.gz MPFDCOUCKLLKJE-SFHVURJKSA-N 2 1 349.523 0.753 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491716235 439435555 /nfs/dbraw/zinc/43/55/55/439435555.db2.gz MPFDCOUCKLLKJE-SFHVURJKSA-N 2 1 349.523 0.753 20 30 ECEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710995 439854626 /nfs/dbraw/zinc/85/46/26/439854626.db2.gz KPZGVHRJXXJESM-YJBOKZPZSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)nn1 ZINC000648759450 440323197 /nfs/dbraw/zinc/32/31/97/440323197.db2.gz CWSVUVSQUJXGOO-OAHLLOKOSA-N 2 1 334.468 0.952 20 30 ECEDMP CN(CC[NH+]1CCCC1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329277747 546018950 /nfs/dbraw/zinc/01/89/50/546018950.db2.gz KXVXTLWOGUSMOR-UHFFFAOYSA-N 2 1 325.457 0.092 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000782035752 578719159 /nfs/dbraw/zinc/71/91/59/578719159.db2.gz WSIJPRAJUUVQPW-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000782035752 578719160 /nfs/dbraw/zinc/71/91/60/578719160.db2.gz WSIJPRAJUUVQPW-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000782035752 578719161 /nfs/dbraw/zinc/71/91/61/578719161.db2.gz WSIJPRAJUUVQPW-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000782035752 578719162 /nfs/dbraw/zinc/71/91/62/578719162.db2.gz WSIJPRAJUUVQPW-OALUTQOASA-N 2 1 341.455 0.967 20 30 ECEDMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000899253136 586478672 /nfs/dbraw/zinc/47/86/72/586478672.db2.gz KLXRBQDQXNISCT-HNNXBMFYSA-N 2 1 349.431 0.403 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900616429 586648735 /nfs/dbraw/zinc/64/87/35/586648735.db2.gz PRXAOSRAHCKSQW-UHFFFAOYSA-N 2 1 337.468 0.006 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000888884943 590458241 /nfs/dbraw/zinc/45/82/41/590458241.db2.gz GBQCMBWFWHMKKX-DLBZAZTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000888884943 590458243 /nfs/dbraw/zinc/45/82/43/590458243.db2.gz GBQCMBWFWHMKKX-DLBZAZTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000888884943 590458245 /nfs/dbraw/zinc/45/82/45/590458245.db2.gz GBQCMBWFWHMKKX-DLBZAZTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000888884943 590458248 /nfs/dbraw/zinc/45/82/48/590458248.db2.gz GBQCMBWFWHMKKX-DLBZAZTESA-N 2 1 336.480 0.884 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000930492435 611435101 /nfs/dbraw/zinc/43/51/01/611435101.db2.gz XTFGDLSVFZNWCM-PBHICJAKSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000946806938 611495978 /nfs/dbraw/zinc/49/59/78/611495978.db2.gz IIABUIFSEBQCDQ-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000946806938 611495982 /nfs/dbraw/zinc/49/59/82/611495982.db2.gz IIABUIFSEBQCDQ-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000948448942 611601083 /nfs/dbraw/zinc/60/10/83/611601083.db2.gz LQJJAYFXNLNKTO-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000948448942 611601085 /nfs/dbraw/zinc/60/10/85/611601085.db2.gz LQJJAYFXNLNKTO-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000948448942 611601086 /nfs/dbraw/zinc/60/10/86/611601086.db2.gz LQJJAYFXNLNKTO-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000948448942 611601088 /nfs/dbraw/zinc/60/10/88/611601088.db2.gz LQJJAYFXNLNKTO-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000938170530 609482467 /nfs/dbraw/zinc/48/24/67/609482467.db2.gz JKAJGBGJACPTFY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000938170530 609482471 /nfs/dbraw/zinc/48/24/71/609482471.db2.gz JKAJGBGJACPTFY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000938170530 609482473 /nfs/dbraw/zinc/48/24/73/609482473.db2.gz JKAJGBGJACPTFY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000938170530 609482476 /nfs/dbraw/zinc/48/24/76/609482476.db2.gz JKAJGBGJACPTFY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000938173913 609486450 /nfs/dbraw/zinc/48/64/50/609486450.db2.gz ZTKLFWGPCLGATR-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000938173913 609486451 /nfs/dbraw/zinc/48/64/51/609486451.db2.gz ZTKLFWGPCLGATR-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000938173913 609486452 /nfs/dbraw/zinc/48/64/52/609486452.db2.gz ZTKLFWGPCLGATR-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000938173913 609486453 /nfs/dbraw/zinc/48/64/53/609486453.db2.gz ZTKLFWGPCLGATR-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000910888326 609774401 /nfs/dbraw/zinc/77/44/01/609774401.db2.gz YAIIHWDMQHUZLW-MRXNPFEDSA-N 2 1 334.464 0.095 20 30 ECEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000152088412 609832595 /nfs/dbraw/zinc/83/25/95/609832595.db2.gz MXEHKMWRDMUKDF-AWEZNQCLSA-N 2 1 333.484 0.941 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000944100177 611131936 /nfs/dbraw/zinc/13/19/36/611131936.db2.gz NKUPSBHBBYMZIG-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000944100177 611131938 /nfs/dbraw/zinc/13/19/38/611131938.db2.gz NKUPSBHBBYMZIG-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000944100177 611131940 /nfs/dbraw/zinc/13/19/40/611131940.db2.gz NKUPSBHBBYMZIG-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000944100177 611131941 /nfs/dbraw/zinc/13/19/41/611131941.db2.gz NKUPSBHBBYMZIG-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413099 611240575 /nfs/dbraw/zinc/24/05/75/611240575.db2.gz BLDCKKQSTFILNM-YVSFHVDLSA-N 2 1 342.399 0.459 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000950755852 611891929 /nfs/dbraw/zinc/89/19/29/611891929.db2.gz WCFSKVSIIZUBAF-YESZJQIVSA-N 2 1 348.491 0.387 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000950755852 611891931 /nfs/dbraw/zinc/89/19/31/611891931.db2.gz WCFSKVSIIZUBAF-YESZJQIVSA-N 2 1 348.491 0.387 20 30 ECEDMP CC#CC[N@@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949512300 612016144 /nfs/dbraw/zinc/01/61/44/612016144.db2.gz WFORLNKMLJHPFT-UHFFFAOYSA-N 2 1 331.460 0.799 20 30 ECEDMP CC#CC[N@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949512300 612016145 /nfs/dbraw/zinc/01/61/45/612016145.db2.gz WFORLNKMLJHPFT-UHFFFAOYSA-N 2 1 331.460 0.799 20 30 ECEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532866 733053692 /nfs/dbraw/zinc/05/36/92/733053692.db2.gz IHXONBOVCSNZRS-UHFFFAOYSA-N 2 1 327.469 0.426 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167235851 733081267 /nfs/dbraw/zinc/08/12/67/733081267.db2.gz AWYKDXGDFCKHCZ-GJZGRUSLSA-N 2 1 336.480 0.362 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294767 734018958 /nfs/dbraw/zinc/01/89/58/734018958.db2.gz ZUVZSQVTVHQBFN-HZPDHXFCSA-N 2 1 348.491 0.294 20 30 ECEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174841 782430696 /nfs/dbraw/zinc/43/06/96/782430696.db2.gz UNPTXOJBJULQML-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174841 782430701 /nfs/dbraw/zinc/43/07/01/782430701.db2.gz UNPTXOJBJULQML-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174841 782430705 /nfs/dbraw/zinc/43/07/05/782430705.db2.gz UNPTXOJBJULQML-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001078174841 782430711 /nfs/dbraw/zinc/43/07/11/782430711.db2.gz UNPTXOJBJULQML-GVDBMIGSSA-N 2 1 328.416 0.171 20 30 ECEDMP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261951087 734867059 /nfs/dbraw/zinc/86/70/59/734867059.db2.gz HKLOFXSURDHPSL-SWLSCSKDSA-N 2 1 330.436 0.668 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676614 734940988 /nfs/dbraw/zinc/94/09/88/734940988.db2.gz GBEYKZUTTCBUHY-JKSUJKDBSA-N 2 1 348.491 0.790 20 30 ECEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978903 735225955 /nfs/dbraw/zinc/22/59/55/735225955.db2.gz OKBRZBZQAFGXNN-CYBMUJFWSA-N 2 1 330.498 0.413 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167636304 736188021 /nfs/dbraw/zinc/18/80/21/736188021.db2.gz RRVWWLNYAFVWTH-CVEARBPZSA-N 2 1 336.480 0.483 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167636308 736188478 /nfs/dbraw/zinc/18/84/78/736188478.db2.gz RRVWWLNYAFVWTH-HZPDHXFCSA-N 2 1 336.480 0.483 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000973410334 739223299 /nfs/dbraw/zinc/22/32/99/739223299.db2.gz CHZNOUXGQHLVOB-ULQDDVLXSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000973410334 739223302 /nfs/dbraw/zinc/22/33/02/739223302.db2.gz CHZNOUXGQHLVOB-ULQDDVLXSA-N 2 1 346.475 0.189 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797761 739966081 /nfs/dbraw/zinc/96/60/81/739966081.db2.gz LJBDOBWXUZVLFX-MRLBHPIUSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797761 739966083 /nfs/dbraw/zinc/96/60/83/739966083.db2.gz LJBDOBWXUZVLFX-MRLBHPIUSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797761 739966085 /nfs/dbraw/zinc/96/60/85/739966085.db2.gz LJBDOBWXUZVLFX-MRLBHPIUSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797761 739966088 /nfs/dbraw/zinc/96/60/88/739966088.db2.gz LJBDOBWXUZVLFX-MRLBHPIUSA-N 2 1 325.840 0.649 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000996803367 742893133 /nfs/dbraw/zinc/89/31/33/742893133.db2.gz VEUACXMAGFREJE-INIZCTEOSA-N 2 1 345.447 0.559 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(NC[C@H]2CN3CCN2CC3)=[NH+]C)CC1 ZINC000261623141 751845108 /nfs/dbraw/zinc/84/51/08/751845108.db2.gz CCFBNQPOSSXQCC-KRWDZBQOSA-N 2 1 334.512 0.192 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999960092 745101223 /nfs/dbraw/zinc/10/12/23/745101223.db2.gz BMQZNIDWYWLSEC-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960092 745101225 /nfs/dbraw/zinc/10/12/25/745101225.db2.gz BMQZNIDWYWLSEC-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960092 745101230 /nfs/dbraw/zinc/10/12/30/745101230.db2.gz BMQZNIDWYWLSEC-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000978954736 746950561 /nfs/dbraw/zinc/95/05/61/746950561.db2.gz XMXJNVCCHBJZBZ-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000978954736 746950566 /nfs/dbraw/zinc/95/05/66/746950566.db2.gz XMXJNVCCHBJZBZ-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000978954736 746950573 /nfs/dbraw/zinc/95/05/73/746950573.db2.gz XMXJNVCCHBJZBZ-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000978954736 746950578 /nfs/dbraw/zinc/95/05/78/746950578.db2.gz XMXJNVCCHBJZBZ-YVSFHVDLSA-N 2 1 346.475 0.189 20 30 ECEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087993878 746955550 /nfs/dbraw/zinc/95/55/50/746955550.db2.gz IGTGLGGOCXCPQZ-SQNIBIBYSA-N 2 1 343.475 0.617 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087993878 746955554 /nfs/dbraw/zinc/95/55/54/746955554.db2.gz IGTGLGGOCXCPQZ-SQNIBIBYSA-N 2 1 343.475 0.617 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000985805250 749140432 /nfs/dbraw/zinc/14/04/32/749140432.db2.gz VOWFGKMPQYUQMR-QGZVFWFLSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@H]3C2)CC1 ZINC000980252809 749258926 /nfs/dbraw/zinc/25/89/26/749258926.db2.gz JGRMKBJSDMLRKB-KZNAEPCWSA-N 2 1 333.476 0.541 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914105 749586341 /nfs/dbraw/zinc/58/63/41/749586341.db2.gz QWPALEQHKCSBNJ-HZPDHXFCSA-N 2 1 345.447 0.450 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@H](CC)C(N)=O)C2)CC1 ZINC000980477668 749630324 /nfs/dbraw/zinc/63/03/24/749630324.db2.gz IROBMFWYXHUVTN-JKSUJKDBSA-N 2 1 334.464 0.128 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)CC1 ZINC001028333102 752400872 /nfs/dbraw/zinc/40/08/72/752400872.db2.gz DQXFYOFOOJCEIW-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001021053463 752484631 /nfs/dbraw/zinc/48/46/31/752484631.db2.gz OPCVUFPFJRYYRB-KKUMJFAQSA-N 2 1 331.420 0.215 20 30 ECEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372699 753680303 /nfs/dbraw/zinc/68/03/03/753680303.db2.gz SWEDMLQDFNXXCG-UHFFFAOYSA-N 2 1 348.451 0.049 20 30 ECEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982820230 753852258 /nfs/dbraw/zinc/85/22/58/753852258.db2.gz JXSPIWFHRHMVNZ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820230 753852267 /nfs/dbraw/zinc/85/22/67/753852267.db2.gz JXSPIWFHRHMVNZ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820230 753852277 /nfs/dbraw/zinc/85/22/77/753852277.db2.gz JXSPIWFHRHMVNZ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820230 753852287 /nfs/dbraw/zinc/85/22/87/753852287.db2.gz JXSPIWFHRHMVNZ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982820230 753852296 /nfs/dbraw/zinc/85/22/96/753852296.db2.gz JXSPIWFHRHMVNZ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC001028600572 753874380 /nfs/dbraw/zinc/87/43/80/753874380.db2.gz AMQVEPZGUFLSFN-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001028600572 753874389 /nfs/dbraw/zinc/87/43/89/753874389.db2.gz AMQVEPZGUFLSFN-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001028600572 753874393 /nfs/dbraw/zinc/87/43/93/753874393.db2.gz AMQVEPZGUFLSFN-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cn(C)nc2C)C1 ZINC001028600572 753874402 /nfs/dbraw/zinc/87/44/02/753874402.db2.gz AMQVEPZGUFLSFN-WMZOPIPTSA-N 2 1 343.475 0.764 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cn(C)nn3)C[C@@H]2C)CC1 ZINC000989829109 754498412 /nfs/dbraw/zinc/49/84/12/754498412.db2.gz OGJSSBHDSXUAAJ-HOCLYGCPSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000983085324 754586515 /nfs/dbraw/zinc/58/65/15/754586515.db2.gz MRQMXGKORLAFJF-YESZJQIVSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000983085324 754586518 /nfs/dbraw/zinc/58/65/18/754586518.db2.gz MRQMXGKORLAFJF-YESZJQIVSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000983085324 754586521 /nfs/dbraw/zinc/58/65/21/754586521.db2.gz MRQMXGKORLAFJF-YESZJQIVSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000983085324 754586523 /nfs/dbraw/zinc/58/65/23/754586523.db2.gz MRQMXGKORLAFJF-YESZJQIVSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672647 755786139 /nfs/dbraw/zinc/78/61/39/755786139.db2.gz CHTBPPGVPFTCAN-RWQQGDIJSA-N 2 1 335.492 0.926 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861392 757210744 /nfs/dbraw/zinc/21/07/44/757210744.db2.gz LKOUASJHOCYPJT-BBWFWOEESA-N 2 1 331.464 0.780 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861392 757210753 /nfs/dbraw/zinc/21/07/53/757210753.db2.gz LKOUASJHOCYPJT-BBWFWOEESA-N 2 1 331.464 0.780 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)C3CCC3)nn2)C1 ZINC001107179605 757295281 /nfs/dbraw/zinc/29/52/81/757295281.db2.gz NSFCGSVQFWWSHV-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179605 757295286 /nfs/dbraw/zinc/29/52/86/757295286.db2.gz NSFCGSVQFWWSHV-UHFFFAOYSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001011264472 757332649 /nfs/dbraw/zinc/33/26/49/757332649.db2.gz GERMESGALVFDNC-DLBZAZTESA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001011264472 757332659 /nfs/dbraw/zinc/33/26/59/757332659.db2.gz GERMESGALVFDNC-DLBZAZTESA-N 2 1 346.475 0.095 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]3C2)C1=O ZINC001049065478 757856870 /nfs/dbraw/zinc/85/68/70/757856870.db2.gz TWDJYTDELDCNOM-YVSFHVDLSA-N 2 1 348.491 0.504 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107235021 758019914 /nfs/dbraw/zinc/01/99/14/758019914.db2.gz XJLLBBVDHZQXMN-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001021926218 758070697 /nfs/dbraw/zinc/07/06/97/758070697.db2.gz GOTVSRLQPKTYCA-IXDOHACOSA-N 2 1 328.416 0.626 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001021926218 758070709 /nfs/dbraw/zinc/07/07/09/758070709.db2.gz GOTVSRLQPKTYCA-IXDOHACOSA-N 2 1 328.416 0.626 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001022220541 758441220 /nfs/dbraw/zinc/44/12/20/758441220.db2.gz IWXFNTLUFZKCSJ-BBWFWOEESA-N 2 1 342.443 0.220 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001022220541 758441224 /nfs/dbraw/zinc/44/12/24/758441224.db2.gz IWXFNTLUFZKCSJ-BBWFWOEESA-N 2 1 342.443 0.220 20 30 ECEDMP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777661 758600288 /nfs/dbraw/zinc/60/02/88/758600288.db2.gz APUMDVXBOIBLDX-IAGOWNOFSA-N 2 1 328.416 0.627 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC001127779497 758623388 /nfs/dbraw/zinc/62/33/88/758623388.db2.gz MLJUZYGFHQUOEY-IRXDYDNUSA-N 2 1 328.416 0.627 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001022600766 758937977 /nfs/dbraw/zinc/93/79/77/758937977.db2.gz WRMZRULLPJZFIZ-SMLCLMEVSA-N 2 1 348.491 0.740 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049611040 758990962 /nfs/dbraw/zinc/99/09/62/758990962.db2.gz NWSCUSZNZKDFAQ-KZIZELGASA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611040 758990968 /nfs/dbraw/zinc/99/09/68/758990968.db2.gz NWSCUSZNZKDFAQ-KZIZELGASA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049611040 758990970 /nfs/dbraw/zinc/99/09/70/758990970.db2.gz NWSCUSZNZKDFAQ-KZIZELGASA-N 2 1 343.471 0.938 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638411 759373745 /nfs/dbraw/zinc/37/37/45/759373745.db2.gz RFDKOCPRMMDWRW-ROUUACIJSA-N 2 1 329.444 0.889 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)NC)CC1 ZINC001049916862 759400282 /nfs/dbraw/zinc/40/02/82/759400282.db2.gz FWVWCOYCOAKXPU-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)NC)CC1 ZINC001049916862 759400290 /nfs/dbraw/zinc/40/02/90/759400290.db2.gz FWVWCOYCOAKXPU-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921082 759405481 /nfs/dbraw/zinc/40/54/81/759405481.db2.gz UZKRWGPGEIVKKK-MSOLQXFVSA-N 2 1 333.476 0.779 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083633372 759874365 /nfs/dbraw/zinc/87/43/65/759874365.db2.gz UUCOFHWZQKXDDE-CVEARBPZSA-N 2 1 327.388 0.618 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC001050208603 759944263 /nfs/dbraw/zinc/94/42/63/759944263.db2.gz PKVKXOAYYSHIPN-HYVNUMGLSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995925283 760787309 /nfs/dbraw/zinc/78/73/09/760787309.db2.gz REIMPKBSAVXHCA-DLBZAZTESA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995925283 760787315 /nfs/dbraw/zinc/78/73/15/760787315.db2.gz REIMPKBSAVXHCA-DLBZAZTESA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046849053 763226500 /nfs/dbraw/zinc/22/65/00/763226500.db2.gz ADPMLSGVSIRRRK-APWZRJJASA-N 2 1 346.475 0.191 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046926501 763398950 /nfs/dbraw/zinc/39/89/50/763398950.db2.gz PTHCCAQOVBHXDU-UONOGXRCSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046926501 763398958 /nfs/dbraw/zinc/39/89/58/763398958.db2.gz PTHCCAQOVBHXDU-UONOGXRCSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046926501 763398964 /nfs/dbraw/zinc/39/89/64/763398964.db2.gz PTHCCAQOVBHXDU-UONOGXRCSA-N 2 1 329.391 0.414 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046926501 763398968 /nfs/dbraw/zinc/39/89/68/763398968.db2.gz PTHCCAQOVBHXDU-UONOGXRCSA-N 2 1 329.391 0.414 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036226 763647569 /nfs/dbraw/zinc/64/75/69/763647569.db2.gz ICFCFCCBHHVJAI-MSOLQXFVSA-N 2 1 347.507 0.991 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036226 763647576 /nfs/dbraw/zinc/64/75/76/763647576.db2.gz ICFCFCCBHHVJAI-MSOLQXFVSA-N 2 1 347.507 0.991 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@@H+]1C ZINC001052071720 763773150 /nfs/dbraw/zinc/77/31/50/763773150.db2.gz XWVGAXXLWPUBLS-YESZJQIVSA-N 2 1 333.480 0.459 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052071720 763773154 /nfs/dbraw/zinc/77/31/54/763773154.db2.gz XWVGAXXLWPUBLS-YESZJQIVSA-N 2 1 333.480 0.459 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(=O)NC)C3)CC1 ZINC001047209843 763805462 /nfs/dbraw/zinc/80/54/62/763805462.db2.gz YARBTMHNYDBAMF-XIRDDKMYSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107937 763889265 /nfs/dbraw/zinc/88/92/65/763889265.db2.gz IAOFESISDZHWLF-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573528 764783242 /nfs/dbraw/zinc/78/32/42/764783242.db2.gz XVSLKINVPWDLAL-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573528 764783247 /nfs/dbraw/zinc/78/32/47/764783247.db2.gz XVSLKINVPWDLAL-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573528 764783252 /nfs/dbraw/zinc/78/32/52/764783252.db2.gz XVSLKINVPWDLAL-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263268 765863899 /nfs/dbraw/zinc/86/38/99/765863899.db2.gz JSWIXAHKHUZBGH-SJORKVTESA-N 2 1 349.475 0.729 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263268 765863903 /nfs/dbraw/zinc/86/39/03/765863903.db2.gz JSWIXAHKHUZBGH-SJORKVTESA-N 2 1 349.475 0.729 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCCC3=O)C2)CC1 ZINC001016328293 766122899 /nfs/dbraw/zinc/12/28/99/766122899.db2.gz CFYHQOFQJDUPPU-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)O2 ZINC001053601014 766410238 /nfs/dbraw/zinc/41/02/38/766410238.db2.gz YBVREWOWUZRGEI-IRXDYDNUSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000994753497 766711297 /nfs/dbraw/zinc/71/12/97/766711297.db2.gz HAQPFJKHNBGAQK-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000994753497 766711301 /nfs/dbraw/zinc/71/13/01/766711301.db2.gz HAQPFJKHNBGAQK-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064456 766844996 /nfs/dbraw/zinc/84/49/96/766844996.db2.gz NQOGBQQTCSPROP-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064456 766845006 /nfs/dbraw/zinc/84/50/06/766845006.db2.gz NQOGBQQTCSPROP-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064456 766845018 /nfs/dbraw/zinc/84/50/18/766845018.db2.gz NQOGBQQTCSPROP-SFHVURJKSA-N 2 1 346.519 0.960 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077086 766906428 /nfs/dbraw/zinc/90/64/28/766906428.db2.gz RRJNJXAFZBJHGE-KRWDZBQOSA-N 2 1 332.492 0.877 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085819 766928290 /nfs/dbraw/zinc/92/82/90/766928290.db2.gz RMUNQHSHGOHHNE-RTBURBONSA-N 2 1 346.519 0.959 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC001046087653 766930049 /nfs/dbraw/zinc/93/00/49/766930049.db2.gz YSUXPQLFJZUSOJ-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC001046087653 766930051 /nfs/dbraw/zinc/93/00/51/766930051.db2.gz YSUXPQLFJZUSOJ-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087653 766930053 /nfs/dbraw/zinc/93/00/53/766930053.db2.gz YSUXPQLFJZUSOJ-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC001046087653 766930056 /nfs/dbraw/zinc/93/00/56/766930056.db2.gz YSUXPQLFJZUSOJ-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)CC(C)(C)C2)CC1 ZINC001089564809 771516646 /nfs/dbraw/zinc/51/66/46/771516646.db2.gz JKHLAMJPUWUTEJ-MRXNPFEDSA-N 2 1 348.491 0.424 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001020250382 772349743 /nfs/dbraw/zinc/34/97/43/772349743.db2.gz DWWKRCJHPBAWEY-JYJNAYRXSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001020250382 772349747 /nfs/dbraw/zinc/34/97/47/772349747.db2.gz DWWKRCJHPBAWEY-JYJNAYRXSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001020271322 772379648 /nfs/dbraw/zinc/37/96/48/772379648.db2.gz NEZVCMBULQGECV-YVSFHVDLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001020271322 772379654 /nfs/dbraw/zinc/37/96/54/772379654.db2.gz NEZVCMBULQGECV-YVSFHVDLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001020271322 772379661 /nfs/dbraw/zinc/37/96/61/772379661.db2.gz NEZVCMBULQGECV-YVSFHVDLSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001020271322 772379669 /nfs/dbraw/zinc/37/96/69/772379669.db2.gz NEZVCMBULQGECV-YVSFHVDLSA-N 2 1 346.475 0.141 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001020302797 772417904 /nfs/dbraw/zinc/41/79/04/772417904.db2.gz SRCOCCSXCJVHSH-KLHDSHLOSA-N 2 1 334.464 0.494 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024295 790362898 /nfs/dbraw/zinc/36/28/98/790362898.db2.gz KDVUAJMCFJWMMJ-CVEARBPZSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024295 790362910 /nfs/dbraw/zinc/36/29/10/790362910.db2.gz KDVUAJMCFJWMMJ-CVEARBPZSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024295 790362928 /nfs/dbraw/zinc/36/29/28/790362928.db2.gz KDVUAJMCFJWMMJ-CVEARBPZSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028911 790383647 /nfs/dbraw/zinc/38/36/47/790383647.db2.gz KYLJXAVGYQLGTO-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028911 790383658 /nfs/dbraw/zinc/38/36/58/790383658.db2.gz KYLJXAVGYQLGTO-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028911 790383664 /nfs/dbraw/zinc/38/36/64/790383664.db2.gz KYLJXAVGYQLGTO-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639935 775945697 /nfs/dbraw/zinc/94/56/97/775945697.db2.gz VPEUWJMTTLVBEG-HOTGVXAUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001080019248 777243296 /nfs/dbraw/zinc/24/32/96/777243296.db2.gz GLEGHSGWVIFXRB-SJORKVTESA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001080019248 777243300 /nfs/dbraw/zinc/24/33/00/777243300.db2.gz GLEGHSGWVIFXRB-SJORKVTESA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCOC)[C@@H]3C2)CC1 ZINC001042369694 780159128 /nfs/dbraw/zinc/15/91/28/780159128.db2.gz ZZGZCRVYXHITNZ-SJLPKXTDSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273937 780950479 /nfs/dbraw/zinc/95/04/79/780950479.db2.gz XPAQVJAINGUVKN-FGTMMUONSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680823 781499716 /nfs/dbraw/zinc/49/97/16/781499716.db2.gz XVFMNCZLKBZZCW-CPUCHLNUSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680823 781499718 /nfs/dbraw/zinc/49/97/18/781499718.db2.gz XVFMNCZLKBZZCW-CPUCHLNUSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680823 781499720 /nfs/dbraw/zinc/49/97/20/781499720.db2.gz XVFMNCZLKBZZCW-CPUCHLNUSA-N 2 1 325.428 0.384 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680823 781499723 /nfs/dbraw/zinc/49/97/23/781499723.db2.gz XVFMNCZLKBZZCW-CPUCHLNUSA-N 2 1 325.428 0.384 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206173 783655496 /nfs/dbraw/zinc/65/54/96/783655496.db2.gz KBRPFLDKWZQOCR-PMPSAXMXSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070505999 784203090 /nfs/dbraw/zinc/20/30/90/784203090.db2.gz SMYKFZBNRNXKLJ-USXIJHARSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001070568085 784284849 /nfs/dbraw/zinc/28/48/49/784284849.db2.gz YDMZMJXGGOQDOQ-JQHSSLGASA-N 2 1 343.475 0.812 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749249 787125242 /nfs/dbraw/zinc/12/52/42/787125242.db2.gz UQRMCNHIMWUYLL-WMZOPIPTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749249 787125249 /nfs/dbraw/zinc/12/52/49/787125249.db2.gz UQRMCNHIMWUYLL-WMZOPIPTSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267557728 837765760 /nfs/dbraw/zinc/76/57/60/837765760.db2.gz LLRANSNOJGUCCU-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267557728 837765766 /nfs/dbraw/zinc/76/57/66/837765766.db2.gz LLRANSNOJGUCCU-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267557728 837765775 /nfs/dbraw/zinc/76/57/75/837765775.db2.gz LLRANSNOJGUCCU-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266401020 835808839 /nfs/dbraw/zinc/80/88/39/835808839.db2.gz XFLNLNREDMAROD-HNNXBMFYSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266401020 835808847 /nfs/dbraw/zinc/80/88/47/835808847.db2.gz XFLNLNREDMAROD-HNNXBMFYSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266559549 835986802 /nfs/dbraw/zinc/98/68/02/835986802.db2.gz DPYKZRJBFXADCM-IRXDYDNUSA-N 2 1 348.491 0.719 20 30 ECEDMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001266758753 836254739 /nfs/dbraw/zinc/25/47/39/836254739.db2.gz ZPZXTIYQYHOZIR-HNNXBMFYSA-N 2 1 349.479 0.329 20 30 ECEDMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001266758753 836254747 /nfs/dbraw/zinc/25/47/47/836254747.db2.gz ZPZXTIYQYHOZIR-HNNXBMFYSA-N 2 1 349.479 0.329 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897895 836449245 /nfs/dbraw/zinc/44/92/45/836449245.db2.gz QCPOAUGKCMBAPB-CVEARBPZSA-N 2 1 346.475 0.048 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001267106291 836786478 /nfs/dbraw/zinc/78/64/78/836786478.db2.gz ULJAOGWHTILWEL-GOSISDBHSA-N 2 1 347.434 0.946 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001267106291 836786490 /nfs/dbraw/zinc/78/64/90/836786490.db2.gz ULJAOGWHTILWEL-GOSISDBHSA-N 2 1 347.434 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1snnc1C ZINC001267132166 836831444 /nfs/dbraw/zinc/83/14/44/836831444.db2.gz LVJIIBMNVGSFRB-JSGCOSHPSA-N 2 1 335.477 0.929 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1snnc1C ZINC001267132166 836831459 /nfs/dbraw/zinc/83/14/59/836831459.db2.gz LVJIIBMNVGSFRB-JSGCOSHPSA-N 2 1 335.477 0.929 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267296995 837156242 /nfs/dbraw/zinc/15/62/42/837156242.db2.gz YYWKYLPDOLMUAT-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267296995 837156246 /nfs/dbraw/zinc/15/62/46/837156246.db2.gz YYWKYLPDOLMUAT-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267296995 837156250 /nfs/dbraw/zinc/15/62/50/837156250.db2.gz YYWKYLPDOLMUAT-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267391900 837339019 /nfs/dbraw/zinc/33/90/19/837339019.db2.gz UXNRINPWOIQEJR-HNNXBMFYSA-N 2 1 337.468 0.281 20 30 ECEDMP COCC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001267940095 838823336 /nfs/dbraw/zinc/82/33/36/838823336.db2.gz CTBITMNXXHQLEY-GOSISDBHSA-N 2 1 329.444 0.994 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000076454116 436205780 /nfs/dbraw/zinc/20/57/80/436205780.db2.gz TYSUIOQQXJCVEI-QGZVFWFLSA-N 2 1 348.491 0.391 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262533021 436939032 /nfs/dbraw/zinc/93/90/32/436939032.db2.gz IVQXTIDJGFFDCI-AWEZNQCLSA-N 2 1 333.436 0.565 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(Cl)cn1 ZINC000268459811 437419919 /nfs/dbraw/zinc/41/99/19/437419919.db2.gz UAUIHMPWXZJSIZ-UHFFFAOYSA-N 2 1 341.843 0.740 20 30 ECEDMP NC(=O)CC1CC[NH+](CC#CC[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000341838436 437909584 /nfs/dbraw/zinc/90/95/84/437909584.db2.gz ZCDVCTQLWCWYSZ-UHFFFAOYSA-N 2 1 334.464 0.165 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C#N)CCOC3)CC2)CC1 ZINC000572615425 439596648 /nfs/dbraw/zinc/59/66/48/439596648.db2.gz ZXYVNTZXHQAOLD-SFHVURJKSA-N 2 1 334.464 0.982 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000668840335 547764730 /nfs/dbraw/zinc/76/47/30/547764730.db2.gz GGKOEPYYZAYKLE-MRXNPFEDSA-N 2 1 336.480 0.696 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000841071837 588977431 /nfs/dbraw/zinc/97/74/31/588977431.db2.gz RXGHHTGMZBJTBV-NVXWUHKLSA-N 2 1 343.431 0.794 20 30 ECEDMP C=C1[C@H](C(=O)NCC[N@H+](C)C2CC2)[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000900367304 586627620 /nfs/dbraw/zinc/62/76/20/586627620.db2.gz NBIWQQXZQNJFJM-IYBDPMFKSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NCC[NH+](C)C2CC2)[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000900367304 586627622 /nfs/dbraw/zinc/62/76/22/586627622.db2.gz NBIWQQXZQNJFJM-IYBDPMFKSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NCC[NH+](C)C2CC2)[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000900367304 586627624 /nfs/dbraw/zinc/62/76/24/586627624.db2.gz NBIWQQXZQNJFJM-IYBDPMFKSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H]1C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000900592234 586645072 /nfs/dbraw/zinc/64/50/72/586645072.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000900592234 586645074 /nfs/dbraw/zinc/64/50/74/586645074.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000900592234 586645076 /nfs/dbraw/zinc/64/50/76/586645076.db2.gz XHEMLIFPVNGZEQ-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP N#Cc1ccc(CC[N@@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866711957 589761293 /nfs/dbraw/zinc/76/12/93/589761293.db2.gz PBTFXZSOXKATMG-YESZJQIVSA-N 2 1 326.400 0.968 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182322 590279142 /nfs/dbraw/zinc/27/91/42/590279142.db2.gz KVIKEKDUQJCFLU-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000884160767 590757272 /nfs/dbraw/zinc/75/72/72/590757272.db2.gz NNVVQAMWLYBQPC-QGZVFWFLSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000884160767 590757277 /nfs/dbraw/zinc/75/72/77/590757277.db2.gz NNVVQAMWLYBQPC-QGZVFWFLSA-N 2 1 336.480 0.884 20 30 ECEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390334 590818018 /nfs/dbraw/zinc/81/80/18/590818018.db2.gz TUNGHQSLGUIZEZ-VDSJLRBMSA-N 2 1 334.464 0.740 20 30 ECEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884390334 590818020 /nfs/dbraw/zinc/81/80/20/590818020.db2.gz TUNGHQSLGUIZEZ-VDSJLRBMSA-N 2 1 334.464 0.740 20 30 ECEDMP C#CCN(C(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1)C1CC[NH+](C)CC1 ZINC000886572668 590859543 /nfs/dbraw/zinc/85/95/43/590859543.db2.gz WAAWRFJOLXXCTF-INIZCTEOSA-N 2 1 349.475 0.818 20 30 ECEDMP C#CCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1)C1CC[NH+](C)CC1 ZINC000886572668 590859546 /nfs/dbraw/zinc/85/95/46/590859546.db2.gz WAAWRFJOLXXCTF-INIZCTEOSA-N 2 1 349.475 0.818 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000890371607 591154750 /nfs/dbraw/zinc/15/47/50/591154750.db2.gz ZCHOMGDKTMRIRW-IAGOWNOFSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000890371607 591154753 /nfs/dbraw/zinc/15/47/53/591154753.db2.gz ZCHOMGDKTMRIRW-IAGOWNOFSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000938170485 609482583 /nfs/dbraw/zinc/48/25/83/609482583.db2.gz IHKCVQYOKXYKGC-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000938170485 609482587 /nfs/dbraw/zinc/48/25/87/609482587.db2.gz IHKCVQYOKXYKGC-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000938170485 609482589 /nfs/dbraw/zinc/48/25/89/609482589.db2.gz IHKCVQYOKXYKGC-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000938170485 609482592 /nfs/dbraw/zinc/48/25/92/609482592.db2.gz IHKCVQYOKXYKGC-IKGGRYGDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000919727171 609661070 /nfs/dbraw/zinc/66/10/70/609661070.db2.gz ULVZOYFCOSECDE-INIZCTEOSA-N 2 1 336.480 0.694 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938317939 609731541 /nfs/dbraw/zinc/73/15/41/609731541.db2.gz ZBTWVZBPERJGMZ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938317939 609731543 /nfs/dbraw/zinc/73/15/43/609731543.db2.gz ZBTWVZBPERJGMZ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938317939 609731545 /nfs/dbraw/zinc/73/15/45/609731545.db2.gz ZBTWVZBPERJGMZ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000938317939 609731546 /nfs/dbraw/zinc/73/15/46/609731546.db2.gz ZBTWVZBPERJGMZ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000938317939 609731548 /nfs/dbraw/zinc/73/15/48/609731548.db2.gz ZBTWVZBPERJGMZ-ULQDDVLXSA-N 2 1 346.475 0.143 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc2c(c1)OCCO2 ZINC000170905040 609754174 /nfs/dbraw/zinc/75/41/74/609754174.db2.gz HIYJRUJKSKWIDI-UHFFFAOYSA-N 2 1 348.447 0.627 20 30 ECEDMP C#CCN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC[NH+](C)CC1 ZINC000916841129 609951323 /nfs/dbraw/zinc/95/13/23/609951323.db2.gz BFIDFCUEVBNXER-DLBZAZTESA-N 2 1 334.464 0.589 20 30 ECEDMP CNC(=O)CCCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912507149 609962999 /nfs/dbraw/zinc/96/29/99/609962999.db2.gz VWJJWNPOHYQWFY-UHFFFAOYSA-N 2 1 341.500 0.569 20 30 ECEDMP Cn1cnc(CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912507380 609963112 /nfs/dbraw/zinc/96/31/12/609963112.db2.gz ZDKQIAJLYNMWBF-UHFFFAOYSA-N 2 1 337.472 0.371 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C#N ZINC000912536662 609966727 /nfs/dbraw/zinc/96/67/27/609966727.db2.gz YSNXPXOOAHPBOI-OAHLLOKOSA-N 2 1 337.468 0.233 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@H](C#N)C1 ZINC000912536662 609966729 /nfs/dbraw/zinc/96/67/29/609966729.db2.gz YSNXPXOOAHPBOI-OAHLLOKOSA-N 2 1 337.468 0.233 20 30 ECEDMP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C#N)C1 ZINC000912536662 609966730 /nfs/dbraw/zinc/96/67/30/609966730.db2.gz YSNXPXOOAHPBOI-OAHLLOKOSA-N 2 1 337.468 0.233 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C ZINC000912998330 610029472 /nfs/dbraw/zinc/02/94/72/610029472.db2.gz FZZHQYYAJRXIFO-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000912998330 610029473 /nfs/dbraw/zinc/02/94/73/610029473.db2.gz FZZHQYYAJRXIFO-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000912998330 610029474 /nfs/dbraw/zinc/02/94/74/610029474.db2.gz FZZHQYYAJRXIFO-FPCVCCKLSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC)[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC ZINC000922155645 611340280 /nfs/dbraw/zinc/34/02/80/611340280.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+]2CC)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922155645 611340282 /nfs/dbraw/zinc/34/02/82/611340282.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+]2CC)[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922155645 611340285 /nfs/dbraw/zinc/34/02/85/611340285.db2.gz DJMZTHMJRIANQU-FZKCQIBNSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000954630861 612468565 /nfs/dbraw/zinc/46/85/65/612468565.db2.gz MVRSSQJXXRQTAX-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000954630861 612468568 /nfs/dbraw/zinc/46/85/68/612468568.db2.gz MVRSSQJXXRQTAX-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000954630861 612468570 /nfs/dbraw/zinc/46/85/70/612468570.db2.gz MVRSSQJXXRQTAX-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC000954630861 612468572 /nfs/dbraw/zinc/46/85/72/612468572.db2.gz MVRSSQJXXRQTAX-RDJZCZTQSA-N 2 1 346.475 0.238 20 30 ECEDMP C[NH+]=C(NCCN1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261988893 735286040 /nfs/dbraw/zinc/28/60/40/735286040.db2.gz QVZHXVAJIKCFLR-UKRRQHHQSA-N 2 1 325.526 0.683 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2cccn2)C1 ZINC000969865788 732463934 /nfs/dbraw/zinc/46/39/34/732463934.db2.gz QSFJJTAJSNCPBV-WBVHZDCISA-N 2 1 329.448 0.417 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2cccn2)C1 ZINC000969865788 732463935 /nfs/dbraw/zinc/46/39/35/732463935.db2.gz QSFJJTAJSNCPBV-WBVHZDCISA-N 2 1 329.448 0.417 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC(=O)N2CCCC2)C1 ZINC000969866670 732465109 /nfs/dbraw/zinc/46/51/09/732465109.db2.gz YWXPEANUDGYQIH-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CC(=O)N2CCCC2)C1 ZINC000969866670 732465111 /nfs/dbraw/zinc/46/51/11/732465111.db2.gz YWXPEANUDGYQIH-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232946 733077393 /nfs/dbraw/zinc/07/73/93/733077393.db2.gz VFZGIJUNHBPWEU-HNNXBMFYSA-N 2 1 336.480 0.507 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@H](C)O)C3)C2)CC1 ZINC001041845000 782326719 /nfs/dbraw/zinc/32/67/19/782326719.db2.gz RHFVXACGFSJNQM-QFBILLFUSA-N 2 1 333.476 0.637 20 30 ECEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104291312 734004280 /nfs/dbraw/zinc/00/42/80/734004280.db2.gz LQWSEOYNHISDFV-KURKYZTESA-N 2 1 345.491 0.911 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@H](CC(N)=O)C1 ZINC000261754268 734297486 /nfs/dbraw/zinc/29/74/86/734297486.db2.gz MEYKQZXHENVGGE-CZUORRHYSA-N 2 1 341.525 0.587 20 30 ECEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104354258 734612384 /nfs/dbraw/zinc/61/23/84/734612384.db2.gz XYNXSVGULJERFC-OAGGEKHMSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380130 736048200 /nfs/dbraw/zinc/04/82/00/736048200.db2.gz FFHWNVKVRZEZEC-MJGOQNOKSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380130 736048205 /nfs/dbraw/zinc/04/82/05/736048205.db2.gz FFHWNVKVRZEZEC-MJGOQNOKSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCC=C)CCO2 ZINC000972416255 736153752 /nfs/dbraw/zinc/15/37/52/736153752.db2.gz GKNFVSMDKJSCJZ-PKOBYXMFSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCC=C)CCO2 ZINC000972416255 736153754 /nfs/dbraw/zinc/15/37/54/736153754.db2.gz GKNFVSMDKJSCJZ-PKOBYXMFSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCC=C)CCO2 ZINC000972416255 736153755 /nfs/dbraw/zinc/15/37/55/736153755.db2.gz GKNFVSMDKJSCJZ-PKOBYXMFSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCC=C)CCO2 ZINC000972416255 736153756 /nfs/dbraw/zinc/15/37/56/736153756.db2.gz GKNFVSMDKJSCJZ-PKOBYXMFSA-N 2 1 331.460 0.963 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC001023423968 736807056 /nfs/dbraw/zinc/80/70/56/736807056.db2.gz KVBMSPGUURWJEO-WBVHZDCISA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682868 737372126 /nfs/dbraw/zinc/37/21/26/737372126.db2.gz JCMXDHMESOQKBP-FUHWJXTLSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682868 737372130 /nfs/dbraw/zinc/37/21/30/737372130.db2.gz JCMXDHMESOQKBP-FUHWJXTLSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682868 737372134 /nfs/dbraw/zinc/37/21/34/737372134.db2.gz JCMXDHMESOQKBP-FUHWJXTLSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682868 737372139 /nfs/dbraw/zinc/37/21/39/737372139.db2.gz JCMXDHMESOQKBP-FUHWJXTLSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001024022495 737627758 /nfs/dbraw/zinc/62/77/58/737627758.db2.gz ZJBKIRXCKBPJTL-ZBFHGGJFSA-N 2 1 347.488 0.964 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001024022495 737627762 /nfs/dbraw/zinc/62/77/62/737627762.db2.gz ZJBKIRXCKBPJTL-ZBFHGGJFSA-N 2 1 347.488 0.964 20 30 ECEDMP C=CCOCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758946 739871139 /nfs/dbraw/zinc/87/11/39/739871139.db2.gz WHPWYVHLWNCDKY-UHFFFAOYSA-N 2 1 325.453 0.396 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC[C@@H](C)O4)C[C@H]32)CC1 ZINC001026149318 740425058 /nfs/dbraw/zinc/42/50/58/740425058.db2.gz HGZGKWPKLSMPGI-XXQMMXQMSA-N 2 1 345.487 0.946 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)nn1 ZINC001105268507 741610777 /nfs/dbraw/zinc/61/07/77/741610777.db2.gz QHURMIWIBDPUCR-DOTOQJQBSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)nn1 ZINC001105268507 741610780 /nfs/dbraw/zinc/61/07/80/741610780.db2.gz QHURMIWIBDPUCR-DOTOQJQBSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326679 741809240 /nfs/dbraw/zinc/80/92/40/741809240.db2.gz BPTPVKOKTJYKME-CQSZACIVSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CC1 ZINC001087413237 741926358 /nfs/dbraw/zinc/92/63/58/741926358.db2.gz AEYSFBXFNCEFQW-RDGPPVDQSA-N 2 1 345.487 0.493 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000974687165 742003235 /nfs/dbraw/zinc/00/32/35/742003235.db2.gz RGGUUKNTDBQYNC-JKSUJKDBSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)CC1(C)C ZINC000974687165 742003239 /nfs/dbraw/zinc/00/32/39/742003239.db2.gz RGGUUKNTDBQYNC-JKSUJKDBSA-N 2 1 344.463 0.202 20 30 ECEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996795045 742875967 /nfs/dbraw/zinc/87/59/67/742875967.db2.gz ICBNEORUNJNPHW-AOCRQIFASA-N 2 1 347.507 0.897 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001029002729 743157227 /nfs/dbraw/zinc/15/72/27/743157227.db2.gz XTOZTIHQDZDLHQ-INIZCTEOSA-N 2 1 346.475 0.002 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001029004408 743162956 /nfs/dbraw/zinc/16/29/56/743162956.db2.gz WJEDCHBQYVSYPX-KRWDZBQOSA-N 2 1 343.475 0.666 20 30 ECEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228453 743375671 /nfs/dbraw/zinc/37/56/71/743375671.db2.gz KOWHSWZUTLJOBY-PSPFXIJKSA-N 2 1 331.460 0.700 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000997623880 743716539 /nfs/dbraw/zinc/71/65/39/743716539.db2.gz IQLBLKNNLNDBRT-XIRDDKMYSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000997623880 743716544 /nfs/dbraw/zinc/71/65/44/743716544.db2.gz IQLBLKNNLNDBRT-XIRDDKMYSA-N 2 1 346.475 0.189 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001105339236 744328997 /nfs/dbraw/zinc/32/89/97/744328997.db2.gz MDGHFJSEXOZJOY-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998927238 744410188 /nfs/dbraw/zinc/41/01/88/744410188.db2.gz DFOGGXDYRZCHEV-PIMMBPRGSA-N 2 1 333.461 0.715 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998927238 744410189 /nfs/dbraw/zinc/41/01/89/744410189.db2.gz DFOGGXDYRZCHEV-PIMMBPRGSA-N 2 1 333.461 0.715 20 30 ECEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978184763 746028685 /nfs/dbraw/zinc/02/86/85/746028685.db2.gz WATXNJKRACLRQH-PHZGNYQRSA-N 2 1 331.464 0.928 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC000978711137 746612358 /nfs/dbraw/zinc/61/23/58/746612358.db2.gz PYTAEHKJQRGBLI-PHZGNYQRSA-N 2 1 328.416 0.811 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+]4CCCC4)on3)[C@@H]2C1 ZINC000978711137 746612360 /nfs/dbraw/zinc/61/23/60/746612360.db2.gz PYTAEHKJQRGBLI-PHZGNYQRSA-N 2 1 328.416 0.811 20 30 ECEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047397 747144704 /nfs/dbraw/zinc/14/47/04/747144704.db2.gz WXPFJDHLUFWCMV-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047397 747144709 /nfs/dbraw/zinc/14/47/09/747144709.db2.gz WXPFJDHLUFWCMV-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047397 747144711 /nfs/dbraw/zinc/14/47/11/747144711.db2.gz WXPFJDHLUFWCMV-PBIMCDDKSA-N 2 1 343.471 0.653 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000985476862 748212899 /nfs/dbraw/zinc/21/28/99/748212899.db2.gz UWHAZPZBWLIMEM-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000985476862 748212904 /nfs/dbraw/zinc/21/29/04/748212904.db2.gz UWHAZPZBWLIMEM-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnn(C)c2)CC1 ZINC000985476862 748212909 /nfs/dbraw/zinc/21/29/09/748212909.db2.gz UWHAZPZBWLIMEM-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnn(C)c2)CC1 ZINC000985476862 748212913 /nfs/dbraw/zinc/21/29/13/748212913.db2.gz UWHAZPZBWLIMEM-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255159 749261246 /nfs/dbraw/zinc/26/12/46/749261246.db2.gz PBGGYSAIBNPSFJ-GUDVDZBRSA-N 2 1 347.503 0.931 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100900311 750025586 /nfs/dbraw/zinc/02/55/86/750025586.db2.gz ZZGNIVAOSVLEGD-QQFBHYJXSA-N 2 1 336.480 0.341 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001005184252 750340685 /nfs/dbraw/zinc/34/06/85/750340685.db2.gz LKESHSAYTWFOGK-IAGOWNOFSA-N 2 1 348.491 0.790 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nn3)[C@@H]2C)CC1 ZINC000987569927 750972398 /nfs/dbraw/zinc/97/23/98/750972398.db2.gz JEZYSQRSTLVOEU-WMLDXEAASA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)[C@H]2C)CC1 ZINC000987573132 750974526 /nfs/dbraw/zinc/97/45/26/750974526.db2.gz YPOLCXBMTARYDF-CZUORRHYSA-N 2 1 331.420 0.494 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028603697 753899835 /nfs/dbraw/zinc/89/98/35/753899835.db2.gz HOUCGFUXNOZEQV-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001028603697 753899841 /nfs/dbraw/zinc/89/98/41/753899841.db2.gz HOUCGFUXNOZEQV-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001028603697 753899845 /nfs/dbraw/zinc/89/98/45/753899845.db2.gz HOUCGFUXNOZEQV-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001028603697 753899852 /nfs/dbraw/zinc/89/98/52/753899852.db2.gz HOUCGFUXNOZEQV-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001028603697 753899861 /nfs/dbraw/zinc/89/98/61/753899861.db2.gz HOUCGFUXNOZEQV-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP CCOC(=O)[C@@H]1CCCN(C(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000088645740 754574458 /nfs/dbraw/zinc/57/44/58/754574458.db2.gz WUMUCTMAXBCWSH-CABCVRRESA-N 2 1 339.484 0.083 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335465 754629120 /nfs/dbraw/zinc/62/91/20/754629120.db2.gz JXMCKJFKJYDNNC-INIZCTEOSA-N 2 1 348.491 0.486 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C)n2)CC1 ZINC001105881019 762372727 /nfs/dbraw/zinc/37/27/27/762372727.db2.gz PCRBBPRPOHBJLM-INIZCTEOSA-N 2 1 345.447 0.328 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522895 755890347 /nfs/dbraw/zinc/89/03/47/755890347.db2.gz CCSAEYXCERICQT-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522895 755890353 /nfs/dbraw/zinc/89/03/53/755890353.db2.gz CCSAEYXCERICQT-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522895 755890359 /nfs/dbraw/zinc/89/03/59/755890359.db2.gz CCSAEYXCERICQT-IKGGRYGDSA-N 2 1 337.464 0.367 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001076589858 756697119 /nfs/dbraw/zinc/69/71/19/756697119.db2.gz QIULSEJCZVDSKS-DOTOQJQBSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001048825245 757119875 /nfs/dbraw/zinc/11/98/75/757119875.db2.gz MRFWRFKRYLNVCV-HCXYKTFWSA-N 2 1 345.487 0.757 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107200062 757589431 /nfs/dbraw/zinc/58/94/31/757589431.db2.gz WATAOYZFUXKVHS-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022220527 758441170 /nfs/dbraw/zinc/44/11/70/758441170.db2.gz IKDVLYFBGNAHFC-FZKCQIBNSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001022220527 758441176 /nfs/dbraw/zinc/44/11/76/758441176.db2.gz IKDVLYFBGNAHFC-FZKCQIBNSA-N 2 1 342.447 0.100 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001022220790 758441350 /nfs/dbraw/zinc/44/13/50/758441350.db2.gz PPHJJLBXHXBGMJ-KSZLIROESA-N 2 1 343.475 0.780 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001022220790 758441356 /nfs/dbraw/zinc/44/13/56/758441356.db2.gz PPHJJLBXHXBGMJ-KSZLIROESA-N 2 1 343.475 0.780 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168368972 758889864 /nfs/dbraw/zinc/88/98/64/758889864.db2.gz JJRGLUJRSQVGSK-AWEZNQCLSA-N 2 1 333.436 0.206 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC001022711979 759025860 /nfs/dbraw/zinc/02/58/60/759025860.db2.gz HQOUPNMUUNEUDR-JONQDZQNSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001049781204 759197653 /nfs/dbraw/zinc/19/76/53/759197653.db2.gz KZPHIFDTNUTHGX-DLBZAZTESA-N 2 1 329.448 0.757 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001051930123 763361381 /nfs/dbraw/zinc/36/13/81/763361381.db2.gz IWFDKPNOXVQZEJ-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074259 763779264 /nfs/dbraw/zinc/77/92/64/763779264.db2.gz YAIHNAPBBPJRKI-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501754 763783830 /nfs/dbraw/zinc/78/38/30/763783830.db2.gz GZRHZDXACFDGMW-GOSISDBHSA-N 2 1 332.492 0.875 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)CC1 ZINC001047208793 763803957 /nfs/dbraw/zinc/80/39/57/763803957.db2.gz MJKQCGZPDFTLPK-JQHSSLGASA-N 2 1 333.476 0.683 20 30 ECEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777839 764106284 /nfs/dbraw/zinc/10/62/84/764106284.db2.gz OVLQLFNVZXZAQH-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777839 764106293 /nfs/dbraw/zinc/10/62/93/764106293.db2.gz OVLQLFNVZXZAQH-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777839 764106299 /nfs/dbraw/zinc/10/62/99/764106299.db2.gz OVLQLFNVZXZAQH-KEYYUXOJSA-N 2 1 327.444 0.936 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528234 764602139 /nfs/dbraw/zinc/60/21/39/764602139.db2.gz OJJQJUQWGRMTCB-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528234 764602143 /nfs/dbraw/zinc/60/21/43/764602143.db2.gz OJJQJUQWGRMTCB-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(CC#N)CC1 ZINC001052988007 765465009 /nfs/dbraw/zinc/46/50/09/765465009.db2.gz UKRHAMWRYZZHHI-KSZLIROESA-N 2 1 345.491 0.744 20 30 ECEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1 ZINC001052988007 765465013 /nfs/dbraw/zinc/46/50/13/765465013.db2.gz UKRHAMWRYZZHHI-KSZLIROESA-N 2 1 345.491 0.744 20 30 ECEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052988007 765465019 /nfs/dbraw/zinc/46/50/19/765465019.db2.gz UKRHAMWRYZZHHI-KSZLIROESA-N 2 1 345.491 0.744 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000994750453 766685719 /nfs/dbraw/zinc/68/57/19/766685719.db2.gz IPGSGYSVVWJWQM-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000994750453 766685727 /nfs/dbraw/zinc/68/57/27/766685727.db2.gz IPGSGYSVVWJWQM-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001016670118 766698698 /nfs/dbraw/zinc/69/86/98/766698698.db2.gz IZJALMJWQRTHSX-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001016670118 766698700 /nfs/dbraw/zinc/69/87/00/766698700.db2.gz IZJALMJWQRTHSX-JCYILVPMSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043892 766763833 /nfs/dbraw/zinc/76/38/33/766763833.db2.gz MIACCIDUECRUGR-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001046043892 766763835 /nfs/dbraw/zinc/76/38/35/766763835.db2.gz MIACCIDUECRUGR-QGZVFWFLSA-N 2 1 329.448 0.433 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085817 766927832 /nfs/dbraw/zinc/92/78/32/766927832.db2.gz RMUNQHSHGOHHNE-RBUKOAKNSA-N 2 1 346.519 0.959 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001018663756 769735074 /nfs/dbraw/zinc/73/50/74/769735074.db2.gz ODQXYNSTMLWATC-DOTOQJQBSA-N 2 1 346.406 0.718 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001018663756 769735084 /nfs/dbraw/zinc/73/50/84/769735084.db2.gz ODQXYNSTMLWATC-DOTOQJQBSA-N 2 1 346.406 0.718 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001018985893 770484025 /nfs/dbraw/zinc/48/40/25/770484025.db2.gz LBLRDHIUICOIIC-IKGGRYGDSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001018985893 770484029 /nfs/dbraw/zinc/48/40/29/770484029.db2.gz LBLRDHIUICOIIC-IKGGRYGDSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)[C@H]2C)CC1 ZINC000994501132 770919874 /nfs/dbraw/zinc/91/98/74/770919874.db2.gz SEGKAMLKWFHHDR-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)[C@H]2C)CC1 ZINC000994501132 770919878 /nfs/dbraw/zinc/91/98/78/770919878.db2.gz SEGKAMLKWFHHDR-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001020250396 772350270 /nfs/dbraw/zinc/35/02/70/772350270.db2.gz FCMIGACMNMSNGZ-ULQDDVLXSA-N 2 1 329.448 0.737 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001020250396 772350275 /nfs/dbraw/zinc/35/02/75/772350275.db2.gz FCMIGACMNMSNGZ-ULQDDVLXSA-N 2 1 329.448 0.737 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2OC)C1 ZINC001020250798 772351719 /nfs/dbraw/zinc/35/17/19/772351719.db2.gz RJQNWUVDWFDSNN-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2OC)C1 ZINC001020250798 772351724 /nfs/dbraw/zinc/35/17/24/772351724.db2.gz RJQNWUVDWFDSNN-ULQDDVLXSA-N 2 1 342.443 0.925 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001020271321 772379790 /nfs/dbraw/zinc/37/97/90/772379790.db2.gz NEZVCMBULQGECV-QAETUUGQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001020271321 772379797 /nfs/dbraw/zinc/37/97/97/772379797.db2.gz NEZVCMBULQGECV-QAETUUGQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001020271321 772379800 /nfs/dbraw/zinc/37/98/00/772379800.db2.gz NEZVCMBULQGECV-QAETUUGQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001020271321 772379806 /nfs/dbraw/zinc/37/98/06/772379806.db2.gz NEZVCMBULQGECV-QAETUUGQSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001045073344 774935186 /nfs/dbraw/zinc/93/51/86/774935186.db2.gz CXUZZLFIRJJXDO-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001045073344 774935193 /nfs/dbraw/zinc/93/51/93/774935193.db2.gz CXUZZLFIRJJXDO-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001041369242 781370672 /nfs/dbraw/zinc/37/06/72/781370672.db2.gz WOKUYNWSGLDGOY-QFBILLFUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001041369242 781370681 /nfs/dbraw/zinc/37/06/81/781370681.db2.gz WOKUYNWSGLDGOY-QFBILLFUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001041369242 781370691 /nfs/dbraw/zinc/37/06/91/781370691.db2.gz WOKUYNWSGLDGOY-QFBILLFUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001041369242 781370698 /nfs/dbraw/zinc/37/06/98/781370698.db2.gz WOKUYNWSGLDGOY-QFBILLFUSA-N 2 1 346.475 0.097 20 30 ECEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327697 783834060 /nfs/dbraw/zinc/83/40/60/783834060.db2.gz BZJSWXVVNIFPMI-KGLIPLIRSA-N 2 1 338.843 0.468 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070399281 783965582 /nfs/dbraw/zinc/96/55/82/783965582.db2.gz IFDXGPOKOBAYQZ-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070399281 783965587 /nfs/dbraw/zinc/96/55/87/783965587.db2.gz IFDXGPOKOBAYQZ-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070399281 783965594 /nfs/dbraw/zinc/96/55/94/783965594.db2.gz IFDXGPOKOBAYQZ-GOEBONIOSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070505864 784202858 /nfs/dbraw/zinc/20/28/58/784202858.db2.gz MGRYLLZJNBYNRK-UAGQMJEPSA-N 2 1 329.448 0.422 20 30 ECEDMP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277115 784922800 /nfs/dbraw/zinc/92/28/00/784922800.db2.gz LDCGGKQAWBBOLE-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277115 784922807 /nfs/dbraw/zinc/92/28/07/784922807.db2.gz LDCGGKQAWBBOLE-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277115 784922812 /nfs/dbraw/zinc/92/28/12/784922812.db2.gz LDCGGKQAWBBOLE-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277115 784922813 /nfs/dbraw/zinc/92/28/13/784922813.db2.gz LDCGGKQAWBBOLE-IRXDYDNUSA-N 2 1 348.491 0.649 20 30 ECEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633860 786828677 /nfs/dbraw/zinc/82/86/77/786828677.db2.gz IIECBKKBRXXPBU-ZWKOTPCHSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001073633860 786828689 /nfs/dbraw/zinc/82/86/89/786828689.db2.gz IIECBKKBRXXPBU-ZWKOTPCHSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001073633860 786828701 /nfs/dbraw/zinc/82/87/01/786828701.db2.gz IIECBKKBRXXPBU-ZWKOTPCHSA-N 2 1 349.475 0.470 20 30 ECEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001073633860 786828712 /nfs/dbraw/zinc/82/87/12/786828712.db2.gz IIECBKKBRXXPBU-ZWKOTPCHSA-N 2 1 349.475 0.470 20 30 ECEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740020 787091120 /nfs/dbraw/zinc/09/11/20/787091120.db2.gz AVSMTYGWBZITPJ-JKSUJKDBSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740020 787091130 /nfs/dbraw/zinc/09/11/30/787091130.db2.gz AVSMTYGWBZITPJ-JKSUJKDBSA-N 2 1 325.453 0.489 20 30 ECEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740020 787091138 /nfs/dbraw/zinc/09/11/38/787091138.db2.gz AVSMTYGWBZITPJ-JKSUJKDBSA-N 2 1 325.453 0.489 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073895761 787462911 /nfs/dbraw/zinc/46/29/11/787462911.db2.gz AYDOVGIUBALODT-IAGOWNOFSA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073895761 787462915 /nfs/dbraw/zinc/46/29/15/787462915.db2.gz AYDOVGIUBALODT-IAGOWNOFSA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073895761 787462920 /nfs/dbraw/zinc/46/29/20/787462920.db2.gz AYDOVGIUBALODT-IAGOWNOFSA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073895761 787462926 /nfs/dbraw/zinc/46/29/26/787462926.db2.gz AYDOVGIUBALODT-IAGOWNOFSA-N 2 1 339.480 0.880 20 30 ECEDMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001279215486 835805835 /nfs/dbraw/zinc/80/58/35/835805835.db2.gz BJKVHNAIGWZXPW-CTWPCTMYSA-N 2 1 341.455 0.948 20 30 ECEDMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001279215486 835805840 /nfs/dbraw/zinc/80/58/40/835805840.db2.gz BJKVHNAIGWZXPW-CTWPCTMYSA-N 2 1 341.455 0.948 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758115 836255469 /nfs/dbraw/zinc/25/54/69/836255469.db2.gz NYUGNGXOMAQGQI-CVEARBPZSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897896 836449391 /nfs/dbraw/zinc/44/93/91/836449391.db2.gz QCPOAUGKCMBAPB-HOTGVXAUSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266903394 836459739 /nfs/dbraw/zinc/45/97/39/836459739.db2.gz JZAKESBGYPWJDU-UUAJXVIYSA-N 2 1 348.491 0.291 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267018999 836635150 /nfs/dbraw/zinc/63/51/50/836635150.db2.gz WWIHQNAPRLKVPX-CABCVRRESA-N 2 1 345.447 0.247 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267044616 836671361 /nfs/dbraw/zinc/67/13/61/836671361.db2.gz KFZNLJNHQPCXCC-LSDHHAIUSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267596925 837902526 /nfs/dbraw/zinc/90/25/26/837902526.db2.gz RKTRIVQZLXWYSC-JKSUJKDBSA-N 2 1 338.496 0.798 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001267606494 837946612 /nfs/dbraw/zinc/94/66/12/837946612.db2.gz JNNZRJGDAYGGJI-XIRDDKMYSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001267606494 837946616 /nfs/dbraw/zinc/94/66/16/837946616.db2.gz JNNZRJGDAYGGJI-XIRDDKMYSA-N 2 1 346.475 0.332 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCOC)CCO2)CC1 ZINC001268029681 839047235 /nfs/dbraw/zinc/04/72/35/839047235.db2.gz XLYHOZSQKUMIND-QGZVFWFLSA-N 2 1 337.464 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCOC)CCO2)CC1 ZINC001268029681 839047245 /nfs/dbraw/zinc/04/72/45/839047245.db2.gz XLYHOZSQKUMIND-QGZVFWFLSA-N 2 1 337.464 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)COC)CCCC1 ZINC001268035359 839097126 /nfs/dbraw/zinc/09/71/26/839097126.db2.gz ZAXQSOUKCHUGFR-CVEARBPZSA-N 2 1 337.464 0.110 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)COC)CCCC1 ZINC001268035359 839097135 /nfs/dbraw/zinc/09/71/35/839097135.db2.gz ZAXQSOUKCHUGFR-CVEARBPZSA-N 2 1 337.464 0.110 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001268041764 839185339 /nfs/dbraw/zinc/18/53/39/839185339.db2.gz DFUHUMDHJCPRMQ-GJZGRUSLSA-N 2 1 336.480 0.647 20 30 ECEDMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420018679 209279067 /nfs/dbraw/zinc/27/90/67/209279067.db2.gz YKGYIZDYCYUFPM-CQSZACIVSA-N 2 1 343.431 0.056 20 30 ECEDMP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420018679 209279071 /nfs/dbraw/zinc/27/90/71/209279071.db2.gz YKGYIZDYCYUFPM-CQSZACIVSA-N 2 1 343.431 0.056 20 30 ECEDMP CN1CC[NH+]=C1NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496676144 255120182 /nfs/dbraw/zinc/12/01/82/255120182.db2.gz HLKZWRIJIWYBOA-UHFFFAOYSA-N 2 1 325.457 0.820 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959953 266147038 /nfs/dbraw/zinc/14/70/38/266147038.db2.gz ZQHHCNMVLWANEU-GJZGRUSLSA-N 2 1 347.467 0.585 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959952 266147895 /nfs/dbraw/zinc/14/78/95/266147895.db2.gz ZQHHCNMVLWANEU-CABCVRRESA-N 2 1 347.467 0.585 20 30 ECEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000081663895 436353317 /nfs/dbraw/zinc/35/33/17/436353317.db2.gz OHCPMFKVQIWKCT-HNNXBMFYSA-N 2 1 326.466 0.582 20 30 ECEDMP CCc1nn(C)c(OC)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000092854284 436478454 /nfs/dbraw/zinc/47/84/54/436478454.db2.gz JHBSKQQGXPCPAL-UHFFFAOYSA-N 2 1 338.456 0.118 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270574327 436674803 /nfs/dbraw/zinc/67/48/03/436674803.db2.gz OECQKLRUMMUDPS-MRXNPFEDSA-N 3 1 348.495 0.911 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261835440 436890505 /nfs/dbraw/zinc/89/05/05/436890505.db2.gz VYJFIDPRUYMKDF-OAHLLOKOSA-N 2 1 331.424 0.574 20 30 ECEDMP CN(C)C(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000170912638 436961353 /nfs/dbraw/zinc/96/13/53/436961353.db2.gz YPCZZGXKRAEOII-UHFFFAOYSA-N 2 1 333.436 0.724 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000264081576 437015957 /nfs/dbraw/zinc/01/59/57/437015957.db2.gz IOKJMLQSJSJLTB-MRXNPFEDSA-N 2 1 346.479 0.807 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1-n1cccn1 ZINC000264129775 437016332 /nfs/dbraw/zinc/01/63/32/437016332.db2.gz XNYQKQHCFBMFOI-UHFFFAOYSA-N 2 1 342.447 0.999 20 30 ECEDMP C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000264101898 437017473 /nfs/dbraw/zinc/01/74/73/437017473.db2.gz ONFHPFITEZLEHV-INIZCTEOSA-N 2 1 327.432 0.995 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264114910 437017709 /nfs/dbraw/zinc/01/77/09/437017709.db2.gz SDSDFKOFIQFAPR-MRXNPFEDSA-N 2 1 331.464 0.734 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000264166358 437018448 /nfs/dbraw/zinc/01/84/48/437018448.db2.gz WWCRZRWJGRZTRB-INIZCTEOSA-N 2 1 349.479 0.914 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000303694178 437154797 /nfs/dbraw/zinc/15/47/97/437154797.db2.gz CQNQIUVDNUIRNI-AWEZNQCLSA-N 2 1 325.457 0.996 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000303898054 437156249 /nfs/dbraw/zinc/15/62/49/437156249.db2.gz QZLNRPQLYSMTDC-ZDUSSCGKSA-N 2 1 337.468 0.996 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494704 437215559 /nfs/dbraw/zinc/21/55/59/437215559.db2.gz BXBCTKVEFBARSH-CQSZACIVSA-N 2 1 333.440 0.024 20 30 ECEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330215123 437470291 /nfs/dbraw/zinc/47/02/91/437470291.db2.gz MEITVRJUISTNKA-OAHLLOKOSA-N 2 1 349.483 0.722 20 30 ECEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330215122 437470436 /nfs/dbraw/zinc/47/04/36/437470436.db2.gz MEITVRJUISTNKA-HNNXBMFYSA-N 2 1 349.483 0.722 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000343743464 437645363 /nfs/dbraw/zinc/64/53/63/437645363.db2.gz VRVJTRQVZQKKSB-UHFFFAOYSA-N 2 1 334.464 0.307 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000343765285 437649413 /nfs/dbraw/zinc/64/94/13/437649413.db2.gz MUXHOCMIWVHWSP-HNNXBMFYSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340507938 437678324 /nfs/dbraw/zinc/67/83/24/437678324.db2.gz HGLCYXPTCWWRBB-AWEZNQCLSA-N 2 1 334.464 0.354 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000343895417 437685886 /nfs/dbraw/zinc/68/58/86/437685886.db2.gz UJBVHXACVJYZPH-UHFFFAOYSA-N 2 1 348.491 0.840 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000343933378 437700016 /nfs/dbraw/zinc/70/00/16/437700016.db2.gz ZPUNPLCIAQBNRB-INIZCTEOSA-N 2 1 336.480 0.744 20 30 ECEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951023 438896361 /nfs/dbraw/zinc/89/63/61/438896361.db2.gz VVDJSWSIHBZKTE-MSOLQXFVSA-N 2 1 343.475 0.940 20 30 ECEDMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951023 438896366 /nfs/dbraw/zinc/89/63/66/438896366.db2.gz VVDJSWSIHBZKTE-MSOLQXFVSA-N 2 1 343.475 0.940 20 30 ECEDMP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000566171540 439017576 /nfs/dbraw/zinc/01/75/76/439017576.db2.gz SDVHFYSPQNOPPW-HNNXBMFYSA-N 2 1 345.451 0.126 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000491392144 439374967 /nfs/dbraw/zinc/37/49/67/439374967.db2.gz AFHQAENMYUCLTE-IAGOWNOFSA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491813210 439457679 /nfs/dbraw/zinc/45/76/79/439457679.db2.gz GSALIRXSNQXEPG-GOSISDBHSA-N 2 1 349.523 0.751 20 30 ECEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250355 439605292 /nfs/dbraw/zinc/60/52/92/439605292.db2.gz VZAZWVSGZUARIS-IRXDYDNUSA-N 2 1 335.496 0.847 20 30 ECEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000610250355 439605294 /nfs/dbraw/zinc/60/52/94/439605294.db2.gz VZAZWVSGZUARIS-IRXDYDNUSA-N 2 1 335.496 0.847 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000653392581 440150547 /nfs/dbraw/zinc/15/05/47/440150547.db2.gz GNVLGQLMJGFPSL-UHFFFAOYSA-N 2 1 338.496 0.847 20 30 ECEDMP C=C(CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000620749645 546450888 /nfs/dbraw/zinc/45/08/88/546450888.db2.gz HXIDSTPAVDCQEF-GASCZTMLSA-N 2 1 336.480 0.459 20 30 ECEDMP C=C(CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000620749645 546450890 /nfs/dbraw/zinc/45/08/90/546450890.db2.gz HXIDSTPAVDCQEF-GASCZTMLSA-N 2 1 336.480 0.459 20 30 ECEDMP C=C(CNC(=O)C[NH+]1CC[C@H](C)C1)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000620749645 546450894 /nfs/dbraw/zinc/45/08/94/546450894.db2.gz HXIDSTPAVDCQEF-GASCZTMLSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668836372 547763440 /nfs/dbraw/zinc/76/34/40/547763440.db2.gz XOWVDUBIDDPKCK-OAHLLOKOSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764070339 579570573 /nfs/dbraw/zinc/57/05/73/579570573.db2.gz AARRCEYPXBERGS-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764070339 579570574 /nfs/dbraw/zinc/57/05/74/579570574.db2.gz AARRCEYPXBERGS-BZSNNMDCSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000838622263 586818735 /nfs/dbraw/zinc/81/87/35/586818735.db2.gz BAZJBEUEOJOTIW-QGZVFWFLSA-N 2 1 335.496 0.363 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000838622263 586818737 /nfs/dbraw/zinc/81/87/37/586818737.db2.gz BAZJBEUEOJOTIW-QGZVFWFLSA-N 2 1 335.496 0.363 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000838622263 586818738 /nfs/dbraw/zinc/81/87/38/586818738.db2.gz BAZJBEUEOJOTIW-QGZVFWFLSA-N 2 1 335.496 0.363 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000838623896 586819362 /nfs/dbraw/zinc/81/93/62/586819362.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000838623896 586819363 /nfs/dbraw/zinc/81/93/63/586819363.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000838623896 586819364 /nfs/dbraw/zinc/81/93/64/586819364.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838623896 586819365 /nfs/dbraw/zinc/81/93/65/586819365.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838623896 586819366 /nfs/dbraw/zinc/81/93/66/586819366.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 2 1 349.523 0.751 20 30 ECEDMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)CC2)cs1 ZINC000844195168 589102412 /nfs/dbraw/zinc/10/24/12/589102412.db2.gz QVZKHLREBHTGCI-ZFWWWQNUSA-N 2 1 333.461 0.891 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000888683279 590344840 /nfs/dbraw/zinc/34/48/40/590344840.db2.gz CPEXAZPHQFAXTJ-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000888683279 590344843 /nfs/dbraw/zinc/34/48/43/590344843.db2.gz CPEXAZPHQFAXTJ-INIZCTEOSA-N 2 1 335.496 0.409 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876801910 590416524 /nfs/dbraw/zinc/41/65/24/590416524.db2.gz KHQNBWWQCWATEX-IAGOWNOFSA-N 3 1 341.459 0.598 20 30 ECEDMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884316343 590803969 /nfs/dbraw/zinc/80/39/69/590803969.db2.gz PSBYSFDSGSKVBV-GBRKPNRJSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C)C1 ZINC000884327153 590807089 /nfs/dbraw/zinc/80/70/89/590807089.db2.gz LBVBOWGXKAUUTA-XYSPPFBYSA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C)C1 ZINC000884327153 590807091 /nfs/dbraw/zinc/80/70/91/590807091.db2.gz LBVBOWGXKAUUTA-XYSPPFBYSA-N 2 1 348.447 0.222 20 30 ECEDMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104168614 591052446 /nfs/dbraw/zinc/05/24/46/591052446.db2.gz FWXPSESHGKWVMA-IAGOWNOFSA-N 3 1 339.528 0.981 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000890371116 591154402 /nfs/dbraw/zinc/15/44/02/591154402.db2.gz MSKBXPXAQJXAJO-MRXNPFEDSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000890371116 591154404 /nfs/dbraw/zinc/15/44/04/591154404.db2.gz MSKBXPXAQJXAJO-MRXNPFEDSA-N 2 1 336.480 0.836 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949248122 608597220 /nfs/dbraw/zinc/59/72/20/608597220.db2.gz LLMNOSGPIBNWKQ-QGZVFWFLSA-N 2 1 349.475 0.424 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949248122 608597224 /nfs/dbraw/zinc/59/72/24/608597224.db2.gz LLMNOSGPIBNWKQ-QGZVFWFLSA-N 2 1 349.475 0.424 20 30 ECEDMP C[NH+](C)CC#CCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000913518100 609685014 /nfs/dbraw/zinc/68/50/14/609685014.db2.gz DOQMYLXNYIPOHL-GOSISDBHSA-N 2 1 328.460 0.656 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC000939813343 610137859 /nfs/dbraw/zinc/13/78/59/610137859.db2.gz ZMTFFAAOBIAIRX-CZUORRHYSA-N 2 1 331.420 0.351 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000942430361 610449246 /nfs/dbraw/zinc/44/92/46/610449246.db2.gz UNGSWFVDGHOJOI-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000942430361 610449247 /nfs/dbraw/zinc/44/92/47/610449247.db2.gz UNGSWFVDGHOJOI-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000942430361 610449249 /nfs/dbraw/zinc/44/92/49/610449249.db2.gz UNGSWFVDGHOJOI-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC000942430361 610449250 /nfs/dbraw/zinc/44/92/50/610449250.db2.gz UNGSWFVDGHOJOI-ZACQAIPSSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000940964613 610468967 /nfs/dbraw/zinc/46/89/67/610468967.db2.gz WBYHZDQUQGDVKJ-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237411 610620858 /nfs/dbraw/zinc/62/08/58/610620858.db2.gz MVHFIIXDANVXTI-ZBFHGGJFSA-N 2 1 348.491 0.422 20 30 ECEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408456 610722612 /nfs/dbraw/zinc/72/26/12/610722612.db2.gz HAQYIKIKMJFXRM-GOSISDBHSA-N 2 1 332.492 0.733 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943516602 610881508 /nfs/dbraw/zinc/88/15/08/610881508.db2.gz MHNZQCITPYVKQS-DOTOQJQBSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000954631180 612469037 /nfs/dbraw/zinc/46/90/37/612469037.db2.gz RLVXDAIIXWDZAY-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000954631180 612469042 /nfs/dbraw/zinc/46/90/42/612469042.db2.gz RLVXDAIIXWDZAY-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000954631180 612469046 /nfs/dbraw/zinc/46/90/46/612469046.db2.gz RLVXDAIIXWDZAY-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000954631180 612469051 /nfs/dbraw/zinc/46/90/51/612469051.db2.gz RLVXDAIIXWDZAY-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C=C(Cl)C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098561185 735471411 /nfs/dbraw/zinc/47/14/11/735471411.db2.gz VVBCUJAJRQXSMS-AWEZNQCLSA-N 2 1 329.872 0.976 20 30 ECEDMP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561185 735471415 /nfs/dbraw/zinc/47/14/15/735471415.db2.gz VVBCUJAJRQXSMS-AWEZNQCLSA-N 2 1 329.872 0.976 20 30 ECEDMP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561185 735471420 /nfs/dbraw/zinc/47/14/20/735471420.db2.gz VVBCUJAJRQXSMS-AWEZNQCLSA-N 2 1 329.872 0.976 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834993 782308375 /nfs/dbraw/zinc/30/83/75/782308375.db2.gz PBHAQBPICUBVEY-IEBWSBKVSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232518 733076658 /nfs/dbraw/zinc/07/66/58/733076658.db2.gz FVCFTGPQOLOOLR-CVEARBPZSA-N 2 1 348.491 0.342 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000972235302 735821828 /nfs/dbraw/zinc/82/18/28/735821828.db2.gz MWYSFLJOZYGURG-IAGOWNOFSA-N 2 1 348.491 0.648 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639511 736206677 /nfs/dbraw/zinc/20/66/77/736206677.db2.gz AAMSARVHLYHSOU-OAHLLOKOSA-N 2 1 336.480 0.342 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001022975455 736346544 /nfs/dbraw/zinc/34/65/44/736346544.db2.gz LXXPOQYDXBPKGS-WCVJEAGWSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023373816 736747394 /nfs/dbraw/zinc/74/73/94/736747394.db2.gz DZLAESKDXFIVNS-INIZCTEOSA-N 2 1 331.464 0.910 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500033 736924686 /nfs/dbraw/zinc/92/46/86/736924686.db2.gz OSPPWTZFWDNPAX-SDDULXJBSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500033 736924689 /nfs/dbraw/zinc/92/46/89/736924689.db2.gz OSPPWTZFWDNPAX-SDDULXJBSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500033 736924693 /nfs/dbraw/zinc/92/46/93/736924693.db2.gz OSPPWTZFWDNPAX-SDDULXJBSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640219 737131143 /nfs/dbraw/zinc/13/11/43/737131143.db2.gz AFVXDGSPHUZQEW-MRXNPFEDSA-N 2 1 331.464 0.910 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001024021655 737626207 /nfs/dbraw/zinc/62/62/07/737626207.db2.gz HMJVSQFAUDELPK-HOTGVXAUSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001024021655 737626209 /nfs/dbraw/zinc/62/62/09/737626209.db2.gz HMJVSQFAUDELPK-HOTGVXAUSA-N 2 1 344.463 0.241 20 30 ECEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001104680715 739467426 /nfs/dbraw/zinc/46/74/26/739467426.db2.gz VQKRAMDNSFLZHF-BZUAXINKSA-N 2 1 349.479 0.042 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001025820290 740006878 /nfs/dbraw/zinc/00/68/78/740006878.db2.gz JUYGZIHJZNSZIY-BQJWPVKWSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001025820290 740006882 /nfs/dbraw/zinc/00/68/82/740006882.db2.gz JUYGZIHJZNSZIY-BQJWPVKWSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)C1=O ZINC001025820290 740006888 /nfs/dbraw/zinc/00/68/88/740006888.db2.gz JUYGZIHJZNSZIY-BQJWPVKWSA-N 2 1 346.475 0.304 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167733018 740551389 /nfs/dbraw/zinc/55/13/89/740551389.db2.gz RVPOVCZTMPOCAQ-HOTGVXAUSA-N 2 1 348.491 0.342 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001038369695 741337714 /nfs/dbraw/zinc/33/77/14/741337714.db2.gz WWOAGTJZTUPLAN-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1CCCN1CCCC1=O ZINC001038369695 741337717 /nfs/dbraw/zinc/33/77/17/741337717.db2.gz WWOAGTJZTUPLAN-SJORKVTESA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nncn2C)CC1 ZINC001026509079 741496102 /nfs/dbraw/zinc/49/61/02/741496102.db2.gz YAZRPMTUVVKADD-GPANFISMSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nncn2C)CC1 ZINC001026509079 741496105 /nfs/dbraw/zinc/49/61/05/741496105.db2.gz YAZRPMTUVVKADD-GPANFISMSA-N 2 1 344.463 0.430 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCOC)C3)CC1 ZINC000982161919 751651739 /nfs/dbraw/zinc/65/17/39/751651739.db2.gz DKLFWYZLEQQTIA-UHFFFAOYSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCCO)C3)CC1 ZINC000982162537 751652034 /nfs/dbraw/zinc/65/20/34/751652034.db2.gz SQSKDXFXQMKPDR-UHFFFAOYSA-N 2 1 333.476 0.638 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001026893608 742038935 /nfs/dbraw/zinc/03/89/35/742038935.db2.gz LSEMMRNCFGBJNV-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001026893608 742038940 /nfs/dbraw/zinc/03/89/40/742038940.db2.gz LSEMMRNCFGBJNV-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951073 743090575 /nfs/dbraw/zinc/09/05/75/743090575.db2.gz HKDWVQDRFSQMQZ-AWEZNQCLSA-N 2 1 344.525 0.803 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001029004519 743164961 /nfs/dbraw/zinc/16/49/61/743164961.db2.gz YGWBQESLITZFAI-DOTOQJQBSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCOC)C[C@]2(C)C1 ZINC000982299166 751909744 /nfs/dbraw/zinc/90/97/44/751909744.db2.gz YCDAKHJULMJEKJ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCOC)C[C@]2(C)C1 ZINC000982299166 751909750 /nfs/dbraw/zinc/90/97/50/751909750.db2.gz YCDAKHJULMJEKJ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCOC)C[C@]2(C)C1 ZINC000982299166 751909756 /nfs/dbraw/zinc/90/97/56/751909756.db2.gz YCDAKHJULMJEKJ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCOC)C[C@]2(C)C1 ZINC000982299166 751909762 /nfs/dbraw/zinc/90/97/62/751909762.db2.gz YCDAKHJULMJEKJ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCOC)C[C@]2(C)C1 ZINC000982299166 751909768 /nfs/dbraw/zinc/90/97/68/751909768.db2.gz YCDAKHJULMJEKJ-YTQUADARSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000998922495 744407143 /nfs/dbraw/zinc/40/71/43/744407143.db2.gz FXWIWXBKZLHCDS-VJFUWPCTSA-N 2 1 343.475 0.905 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000998922495 744407145 /nfs/dbraw/zinc/40/71/45/744407145.db2.gz FXWIWXBKZLHCDS-VJFUWPCTSA-N 2 1 343.475 0.905 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000998927593 744410306 /nfs/dbraw/zinc/41/03/06/744410306.db2.gz GPAUXUGGTZSFOP-ABHNRTSZSA-N 2 1 341.459 0.962 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000998927593 744410309 /nfs/dbraw/zinc/41/03/09/744410309.db2.gz GPAUXUGGTZSFOP-ABHNRTSZSA-N 2 1 341.459 0.962 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999964184 745107457 /nfs/dbraw/zinc/10/74/57/745107457.db2.gz VWYMLYMIPGCHAU-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964184 745107459 /nfs/dbraw/zinc/10/74/59/745107459.db2.gz VWYMLYMIPGCHAU-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999964184 745107462 /nfs/dbraw/zinc/10/74/62/745107462.db2.gz VWYMLYMIPGCHAU-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)nn2)C1 ZINC001000044555 745225578 /nfs/dbraw/zinc/22/55/78/745225578.db2.gz WOGOAZRFGSOLGZ-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044555 745225579 /nfs/dbraw/zinc/22/55/79/745225579.db2.gz WOGOAZRFGSOLGZ-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3CC)nn2)C1 ZINC001000044555 745225582 /nfs/dbraw/zinc/22/55/82/745225582.db2.gz WOGOAZRFGSOLGZ-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)CC1 ZINC000977635940 745297503 /nfs/dbraw/zinc/29/75/03/745297503.db2.gz BHGANXFFAQVPJV-MRXNPFEDSA-N 2 1 348.491 0.246 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)CC1 ZINC000977635940 745297504 /nfs/dbraw/zinc/29/75/04/745297504.db2.gz BHGANXFFAQVPJV-MRXNPFEDSA-N 2 1 348.491 0.246 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266323 752001019 /nfs/dbraw/zinc/00/10/19/752001019.db2.gz UGIMZBRYGGLKCL-JKSUJKDBSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001028266323 752001027 /nfs/dbraw/zinc/00/10/27/752001027.db2.gz UGIMZBRYGGLKCL-JKSUJKDBSA-N 2 1 346.475 0.450 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC000983900066 745476012 /nfs/dbraw/zinc/47/60/12/745476012.db2.gz CMEVIMPHCBDHAY-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC000983900066 745476016 /nfs/dbraw/zinc/47/60/16/745476016.db2.gz CMEVIMPHCBDHAY-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000978283978 746147333 /nfs/dbraw/zinc/14/73/33/746147333.db2.gz RTOUWWXSIVBSOI-OKYOBFRVSA-N 2 1 345.487 0.805 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000978283978 746147337 /nfs/dbraw/zinc/14/73/37/746147337.db2.gz RTOUWWXSIVBSOI-OKYOBFRVSA-N 2 1 345.487 0.805 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC000978283978 746147343 /nfs/dbraw/zinc/14/73/43/746147343.db2.gz RTOUWWXSIVBSOI-OKYOBFRVSA-N 2 1 345.487 0.805 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCOCC3)C[C@H]21 ZINC000978283978 746147345 /nfs/dbraw/zinc/14/73/45/746147345.db2.gz RTOUWWXSIVBSOI-OKYOBFRVSA-N 2 1 345.487 0.805 20 30 ECEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC001105464923 752173848 /nfs/dbraw/zinc/17/38/48/752173848.db2.gz YETVZXVGFUVLGJ-TVRKMHQQSA-N 2 1 349.475 0.470 20 30 ECEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC001105464923 752173852 /nfs/dbraw/zinc/17/38/52/752173852.db2.gz YETVZXVGFUVLGJ-TVRKMHQQSA-N 2 1 349.475 0.470 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1CCN(C(C)=O)CC1 ZINC000262421935 747485225 /nfs/dbraw/zinc/48/52/25/747485225.db2.gz FTYSRGLYIWDDJL-MRXNPFEDSA-N 2 1 341.525 0.600 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCCNC3=O)C2)CC1 ZINC000980477355 749629774 /nfs/dbraw/zinc/62/97/74/749629774.db2.gz FFRZQBFIVVJDEE-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC000981437613 750698825 /nfs/dbraw/zinc/69/88/25/750698825.db2.gz BWLCQJDGHISOSR-CVEARBPZSA-N 2 1 336.480 0.648 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC000981437613 750698828 /nfs/dbraw/zinc/69/88/28/750698828.db2.gz BWLCQJDGHISOSR-CVEARBPZSA-N 2 1 336.480 0.648 20 30 ECEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783759 751104048 /nfs/dbraw/zinc/10/40/48/751104048.db2.gz DOMFJXBNWRBAFW-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783759 751104055 /nfs/dbraw/zinc/10/40/55/751104055.db2.gz DOMFJXBNWRBAFW-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783759 751104060 /nfs/dbraw/zinc/10/40/60/751104060.db2.gz DOMFJXBNWRBAFW-SJORKVTESA-N 2 1 331.460 0.797 20 30 ECEDMP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645263 752659003 /nfs/dbraw/zinc/65/90/03/752659003.db2.gz IJUWADRCKDCDFX-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001028603696 753900453 /nfs/dbraw/zinc/90/04/53/753900453.db2.gz HMPSTMFZWOVNLV-WMZOPIPTSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001028603696 753900458 /nfs/dbraw/zinc/90/04/58/753900458.db2.gz HMPSTMFZWOVNLV-WMZOPIPTSA-N 2 1 343.475 0.939 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001028604055 753901810 /nfs/dbraw/zinc/90/18/10/753901810.db2.gz PJKBCZCLGNVHGD-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001028604055 753901814 /nfs/dbraw/zinc/90/18/14/753901814.db2.gz PJKBCZCLGNVHGD-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001028604055 753901818 /nfs/dbraw/zinc/90/18/18/753901818.db2.gz PJKBCZCLGNVHGD-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001028604055 753901824 /nfs/dbraw/zinc/90/18/24/753901824.db2.gz PJKBCZCLGNVHGD-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001028604055 753901829 /nfs/dbraw/zinc/90/18/29/753901829.db2.gz PJKBCZCLGNVHGD-MSOLQXFVSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000989734865 754366172 /nfs/dbraw/zinc/36/61/72/754366172.db2.gz HVBUZRWDPDNPNB-INIZCTEOSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)CC1 ZINC000989734865 754366179 /nfs/dbraw/zinc/36/61/79/754366179.db2.gz HVBUZRWDPDNPNB-INIZCTEOSA-N 2 1 348.491 0.343 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncnn3C)C[C@H]2C)CC1 ZINC000989830047 754484452 /nfs/dbraw/zinc/48/44/52/754484452.db2.gz YZZLRQWQIAVGEC-GDBMZVCRSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001009624877 755083267 /nfs/dbraw/zinc/08/32/67/755083267.db2.gz BGZVFVBPULDYOM-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001009624877 755083270 /nfs/dbraw/zinc/08/32/70/755083270.db2.gz BGZVFVBPULDYOM-SJORKVTESA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076590149 756698321 /nfs/dbraw/zinc/69/83/21/756698321.db2.gz YYIJECSTZOJERD-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076590149 756698324 /nfs/dbraw/zinc/69/83/24/756698324.db2.gz YYIJECSTZOJERD-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001076590149 756698327 /nfs/dbraw/zinc/69/83/27/756698327.db2.gz YYIJECSTZOJERD-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001076590149 756698330 /nfs/dbraw/zinc/69/83/30/756698330.db2.gz YYIJECSTZOJERD-XHSDSOJGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011314272 757488378 /nfs/dbraw/zinc/48/83/78/757488378.db2.gz QYLFCLXUDGCDAJ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011314272 757488382 /nfs/dbraw/zinc/48/83/82/757488382.db2.gz QYLFCLXUDGCDAJ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001011314272 757488386 /nfs/dbraw/zinc/48/83/86/757488386.db2.gz QYLFCLXUDGCDAJ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001011314272 757488391 /nfs/dbraw/zinc/48/83/91/757488391.db2.gz QYLFCLXUDGCDAJ-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000996443530 757614706 /nfs/dbraw/zinc/61/47/06/757614706.db2.gz SVKYJRNZXVRBGN-HNNXBMFYSA-N 2 1 346.475 0.000 20 30 ECEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001107210855 757697581 /nfs/dbraw/zinc/69/75/81/757697581.db2.gz GJXODYFSEMGRSW-YOEHRIQHSA-N 2 1 346.479 0.915 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000848 757883562 /nfs/dbraw/zinc/88/35/62/757883562.db2.gz SSDJQRXWPNMPJQ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001077000848 757883573 /nfs/dbraw/zinc/88/35/73/757883573.db2.gz SSDJQRXWPNMPJQ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001077000848 757883585 /nfs/dbraw/zinc/88/35/85/757883585.db2.gz SSDJQRXWPNMPJQ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001077256414 758614148 /nfs/dbraw/zinc/61/41/48/758614148.db2.gz NSRDNHZXPKBAPQ-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001077256414 758614154 /nfs/dbraw/zinc/61/41/54/758614154.db2.gz NSRDNHZXPKBAPQ-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001077256414 758614159 /nfs/dbraw/zinc/61/41/59/758614159.db2.gz NSRDNHZXPKBAPQ-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001077256414 758614164 /nfs/dbraw/zinc/61/41/64/758614164.db2.gz NSRDNHZXPKBAPQ-BBWFWOEESA-N 2 1 348.491 0.579 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779261 758644261 /nfs/dbraw/zinc/64/42/61/758644261.db2.gz KIJQQJDJOKYFJS-DOTOQJQBSA-N 2 1 346.406 0.766 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049518596 758846436 /nfs/dbraw/zinc/84/64/36/758846436.db2.gz UVMSXTXQLQDXCI-KSZLIROESA-N 2 1 343.475 0.902 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049518596 758846445 /nfs/dbraw/zinc/84/64/45/758846445.db2.gz UVMSXTXQLQDXCI-KSZLIROESA-N 2 1 343.475 0.902 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369327 759081473 /nfs/dbraw/zinc/08/14/73/759081473.db2.gz PFEPPQCRMUFDKQ-AWEZNQCLSA-N 2 1 335.452 0.758 20 30 ECEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245508 768010508 /nfs/dbraw/zinc/01/05/08/768010508.db2.gz CEWDKDNSHQLUOD-ZACQAIPSSA-N 2 1 331.464 0.521 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014453863 762711038 /nfs/dbraw/zinc/71/10/38/762711038.db2.gz UNIZPMGCFMXLRP-KURKYZTESA-N 2 1 333.476 0.947 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046927335 763401746 /nfs/dbraw/zinc/40/17/46/763401746.db2.gz XIDWFNMDNOGCHW-ZIAGYGMSSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046927335 763401747 /nfs/dbraw/zinc/40/17/47/763401747.db2.gz XIDWFNMDNOGCHW-ZIAGYGMSSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927335 763401749 /nfs/dbraw/zinc/40/17/49/763401749.db2.gz XIDWFNMDNOGCHW-ZIAGYGMSSA-N 2 1 331.407 0.967 20 30 ECEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927335 763401751 /nfs/dbraw/zinc/40/17/51/763401751.db2.gz XIDWFNMDNOGCHW-ZIAGYGMSSA-N 2 1 331.407 0.967 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052105818 763877797 /nfs/dbraw/zinc/87/77/97/763877797.db2.gz QPHOXTJXTJRDOW-SFHVURJKSA-N 2 1 347.507 0.849 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001047436188 764338854 /nfs/dbraw/zinc/33/88/54/764338854.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 1 332.448 0.903 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047436188 764338858 /nfs/dbraw/zinc/33/88/58/764338858.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 1 332.448 0.903 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047436188 764338864 /nfs/dbraw/zinc/33/88/64/764338864.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 1 332.448 0.903 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC001052954517 765408666 /nfs/dbraw/zinc/40/86/66/765408666.db2.gz OSOKPDDFBHPCBG-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC001016328283 766122895 /nfs/dbraw/zinc/12/28/95/766122895.db2.gz CBAWCPBPIRYSHX-MRXNPFEDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC001016328283 766122896 /nfs/dbraw/zinc/12/28/96/766122896.db2.gz CBAWCPBPIRYSHX-MRXNPFEDSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000992281827 766144523 /nfs/dbraw/zinc/14/45/23/766144523.db2.gz LHLMNPNJXMTJJN-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000992281827 766144528 /nfs/dbraw/zinc/14/45/28/766144528.db2.gz LHLMNPNJXMTJJN-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000992281827 766144535 /nfs/dbraw/zinc/14/45/35/766144535.db2.gz LHLMNPNJXMTJJN-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000992281827 766144540 /nfs/dbraw/zinc/14/45/40/766144540.db2.gz LHLMNPNJXMTJJN-BACDZXNISA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC000992310889 766232647 /nfs/dbraw/zinc/23/26/47/766232647.db2.gz NDXUSNRLKPBXHS-SJLPKXTDSA-N 2 1 329.448 0.805 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)CC1 ZINC001045895607 766477938 /nfs/dbraw/zinc/47/79/38/766477938.db2.gz LBNMXZBGNXUVPM-OIISXLGYSA-N 2 1 346.475 0.271 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001016670407 766698929 /nfs/dbraw/zinc/69/89/29/766698929.db2.gz NTZHRHZQTGYIPS-BACDZXNISA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001016670407 766698932 /nfs/dbraw/zinc/69/89/32/766698932.db2.gz NTZHRHZQTGYIPS-BACDZXNISA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001016670407 766698935 /nfs/dbraw/zinc/69/89/35/766698935.db2.gz NTZHRHZQTGYIPS-BACDZXNISA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001016670407 766698936 /nfs/dbraw/zinc/69/89/36/766698936.db2.gz NTZHRHZQTGYIPS-BACDZXNISA-N 2 1 346.475 0.284 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001046035830 766723152 /nfs/dbraw/zinc/72/31/52/766723152.db2.gz UNQQRBZRWPDRQL-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001046035830 766723155 /nfs/dbraw/zinc/72/31/55/766723155.db2.gz UNQQRBZRWPDRQL-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035830 766723163 /nfs/dbraw/zinc/72/31/63/766723163.db2.gz UNQQRBZRWPDRQL-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001046041466 766752722 /nfs/dbraw/zinc/75/27/22/766752722.db2.gz JZROXSULVGMCNZ-QGZVFWFLSA-N 2 1 337.427 0.800 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041981 766753919 /nfs/dbraw/zinc/75/39/19/766753919.db2.gz VWZFJESPGWMVKQ-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041981 766753921 /nfs/dbraw/zinc/75/39/21/766753921.db2.gz VWZFJESPGWMVKQ-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041981 766753925 /nfs/dbraw/zinc/75/39/25/766753925.db2.gz VWZFJESPGWMVKQ-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064360 766844013 /nfs/dbraw/zinc/84/40/13/766844013.db2.gz LPVQJCQBVGNXMO-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064360 766844019 /nfs/dbraw/zinc/84/40/19/766844019.db2.gz LPVQJCQBVGNXMO-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064360 766844029 /nfs/dbraw/zinc/84/40/29/766844029.db2.gz LPVQJCQBVGNXMO-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(OCC)C2)C1 ZINC001031741177 766988126 /nfs/dbraw/zinc/98/81/26/766988126.db2.gz QNECWLKHKZLCDM-VJFUWPCTSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(OCC)C2)C1 ZINC001031741177 766988132 /nfs/dbraw/zinc/98/81/32/766988132.db2.gz QNECWLKHKZLCDM-VJFUWPCTSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001054168692 767765468 /nfs/dbraw/zinc/76/54/68/767765468.db2.gz GZZZUWDATWUMDQ-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168692 767765475 /nfs/dbraw/zinc/76/54/75/767765475.db2.gz GZZZUWDATWUMDQ-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001054168692 767765478 /nfs/dbraw/zinc/76/54/78/767765478.db2.gz GZZZUWDATWUMDQ-VXLIZBOYSA-N 2 1 343.471 0.797 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070208849 783660268 /nfs/dbraw/zinc/66/02/68/783660268.db2.gz AFAHBTSDWWMXKG-ILXRZTDVSA-N 2 1 341.419 0.580 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209088 783660826 /nfs/dbraw/zinc/66/08/26/783660826.db2.gz LUSRAZNLHSSURR-CVEARBPZSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070402940 783975778 /nfs/dbraw/zinc/97/57/78/783975778.db2.gz IEJYKJVKEXXFQU-UKRRQHHQSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070402940 783975785 /nfs/dbraw/zinc/97/57/85/783975785.db2.gz IEJYKJVKEXXFQU-UKRRQHHQSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070402940 783975790 /nfs/dbraw/zinc/97/57/90/783975790.db2.gz IEJYKJVKEXXFQU-UKRRQHHQSA-N 2 1 333.436 0.332 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070402940 783975798 /nfs/dbraw/zinc/97/57/98/783975798.db2.gz IEJYKJVKEXXFQU-UKRRQHHQSA-N 2 1 333.436 0.332 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070553789 784264793 /nfs/dbraw/zinc/26/47/93/784264793.db2.gz GNZSNDPDSYKTRP-HLLBOEOZSA-N 2 1 329.448 0.279 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563727 784280357 /nfs/dbraw/zinc/28/03/57/784280357.db2.gz ITJJUPUMWDTVQM-YQQAZPJKSA-N 2 1 331.464 0.832 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001070689526 784555698 /nfs/dbraw/zinc/55/56/98/784555698.db2.gz CCRNOWTTWFSOFL-ARFHVFGLSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001071243827 784820174 /nfs/dbraw/zinc/82/01/74/784820174.db2.gz LYYDYQGLKBIJQB-LPHOPBHVSA-N 2 1 349.475 0.016 20 30 ECEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603821 786755997 /nfs/dbraw/zinc/75/59/97/786755997.db2.gz PNGITJCRVSJIOX-HNNXBMFYSA-N 2 1 335.452 0.451 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815936 787251272 /nfs/dbraw/zinc/25/12/72/787251272.db2.gz PNWZICLSCQGLRM-QGZVFWFLSA-N 2 1 349.479 0.842 20 30 ECEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813567 788867608 /nfs/dbraw/zinc/86/76/08/788867608.db2.gz WYQDHEXHDPHGBR-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813567 788867614 /nfs/dbraw/zinc/86/76/14/788867614.db2.gz WYQDHEXHDPHGBR-INIZCTEOSA-N 2 1 329.448 0.371 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H](CC)[NH+](C)C)C3)C2)C1=O ZINC001072851459 788961956 /nfs/dbraw/zinc/96/19/56/788961956.db2.gz WFZXRXOBAKOVTN-CVEARBPZSA-N 2 1 348.491 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001267566933 837785588 /nfs/dbraw/zinc/78/55/88/837785588.db2.gz KLLOWXCZDGMPEK-GOEBONIOSA-N 2 1 345.447 0.567 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](Cc3cnon3)C2)CC1 ZINC001267572322 837808641 /nfs/dbraw/zinc/80/86/41/837808641.db2.gz YRZXXWHISLTYDL-HNNXBMFYSA-N 2 1 345.447 0.743 20 30 ECEDMP COCC#CCN(C)CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001266277121 835602304 /nfs/dbraw/zinc/60/23/04/835602304.db2.gz OEQOPLPQKYHYBQ-INIZCTEOSA-N 2 1 333.436 0.488 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCCCC)C1 ZINC001266531767 835949118 /nfs/dbraw/zinc/94/91/18/835949118.db2.gz FVXQKKJSWZEJFS-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCCCC)C1 ZINC001266531767 835949124 /nfs/dbraw/zinc/94/91/24/835949124.db2.gz FVXQKKJSWZEJFS-HOTGVXAUSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266565475 835995119 /nfs/dbraw/zinc/99/51/19/835995119.db2.gz ZMQUQKUHYWAIQT-INIZCTEOSA-N 2 1 348.491 0.581 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266565475 835995124 /nfs/dbraw/zinc/99/51/24/835995124.db2.gz ZMQUQKUHYWAIQT-INIZCTEOSA-N 2 1 348.491 0.581 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266591366 836022832 /nfs/dbraw/zinc/02/28/32/836022832.db2.gz IRRZAZGZFBLLKH-FPCVCCKLSA-N 2 1 336.480 0.787 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC=C)C1 ZINC001266792955 836309718 /nfs/dbraw/zinc/30/97/18/836309718.db2.gz GFRNBHJBVGJBRO-SJORKVTESA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC=C)C1 ZINC001266792955 836309730 /nfs/dbraw/zinc/30/97/30/836309730.db2.gz GFRNBHJBVGJBRO-SJORKVTESA-N 2 1 346.475 0.214 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC001266870105 836414802 /nfs/dbraw/zinc/41/48/02/836414802.db2.gz GGDWBCPAOQQAQI-IKGGRYGDSA-N 2 1 337.464 0.062 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC001266870105 836414803 /nfs/dbraw/zinc/41/48/03/836414803.db2.gz GGDWBCPAOQQAQI-IKGGRYGDSA-N 2 1 337.464 0.062 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001267106161 836784862 /nfs/dbraw/zinc/78/48/62/836784862.db2.gz RXVGDWUGSCWRJS-KRWDZBQOSA-N 2 1 348.422 0.966 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001267106161 836784867 /nfs/dbraw/zinc/78/48/67/836784867.db2.gz RXVGDWUGSCWRJS-KRWDZBQOSA-N 2 1 348.422 0.966 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267109835 836793610 /nfs/dbraw/zinc/79/36/10/836793610.db2.gz YEXRVETXSTZEIH-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267109835 836793614 /nfs/dbraw/zinc/79/36/14/836793614.db2.gz YEXRVETXSTZEIH-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267109835 836793619 /nfs/dbraw/zinc/79/36/19/836793619.db2.gz YEXRVETXSTZEIH-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267109835 836793624 /nfs/dbraw/zinc/79/36/24/836793624.db2.gz YEXRVETXSTZEIH-CVEARBPZSA-N 2 1 336.480 0.696 20 30 ECEDMP COCC#CC[N@@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001267338144 837221258 /nfs/dbraw/zinc/22/12/58/837221258.db2.gz RECAQRBWCJMTPD-MRXNPFEDSA-N 2 1 337.464 0.185 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267596922 837901652 /nfs/dbraw/zinc/90/16/52/837901652.db2.gz RKTRIVQZLXWYSC-HOTGVXAUSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596922 837901660 /nfs/dbraw/zinc/90/16/60/837901660.db2.gz RKTRIVQZLXWYSC-HOTGVXAUSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001267596922 837901672 /nfs/dbraw/zinc/90/16/72/837901672.db2.gz RKTRIVQZLXWYSC-HOTGVXAUSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCN(CC=C)C(=O)CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267688171 838256326 /nfs/dbraw/zinc/25/63/26/838256326.db2.gz WYGFIXGKJFVAJB-MRXNPFEDSA-N 2 1 334.464 0.329 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702711 838300666 /nfs/dbraw/zinc/30/06/66/838300666.db2.gz IJJQZDSDMZRZII-CVEARBPZSA-N 2 1 346.475 0.000 20 30 ECEDMP COCC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001267724684 838388342 /nfs/dbraw/zinc/38/83/42/838388342.db2.gz JCIUXRTUEBRCNB-KRWDZBQOSA-N 2 1 337.464 0.137 20 30 ECEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001267724684 838388345 /nfs/dbraw/zinc/38/83/45/838388345.db2.gz JCIUXRTUEBRCNB-KRWDZBQOSA-N 2 1 337.464 0.137 20 30 ECEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001267724684 838388350 /nfs/dbraw/zinc/38/83/50/838388350.db2.gz JCIUXRTUEBRCNB-KRWDZBQOSA-N 2 1 337.464 0.137 20 30 ECEDMP COCC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001267724684 838388354 /nfs/dbraw/zinc/38/83/54/838388354.db2.gz JCIUXRTUEBRCNB-KRWDZBQOSA-N 2 1 337.464 0.137 20 30 ECEDMP NC(=O)C[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1CC(N)=O ZINC000341880664 295058299 /nfs/dbraw/zinc/05/82/99/295058299.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 2 1 334.464 0.450 20 30 ECEDMP NC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000341880664 295058302 /nfs/dbraw/zinc/05/83/02/295058302.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 2 1 334.464 0.450 20 30 ECEDMP NC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000341880664 295058305 /nfs/dbraw/zinc/05/83/05/295058305.db2.gz GRKAILLEOLPUJL-IYBDPMFKSA-N 2 1 334.464 0.450 20 30 ECEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCC#N ZINC000104113651 436557533 /nfs/dbraw/zinc/55/75/33/436557533.db2.gz ZYEYBVIPOYKUIK-OAHLLOKOSA-N 2 1 330.498 0.968 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCC#N ZINC000104113651 436557534 /nfs/dbraw/zinc/55/75/34/436557534.db2.gz ZYEYBVIPOYKUIK-OAHLLOKOSA-N 2 1 330.498 0.968 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCc2ccccc2C1 ZINC000104167225 436557764 /nfs/dbraw/zinc/55/77/64/436557764.db2.gz PPFOEPLXIYMDMG-UHFFFAOYSA-N 2 1 345.491 0.671 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262254653 436919988 /nfs/dbraw/zinc/91/99/88/436919988.db2.gz QLVWEIYDMHBLDT-DLBZAZTESA-N 2 1 348.491 0.767 20 30 ECEDMP C[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133905729 436887511 /nfs/dbraw/zinc/88/75/11/436887511.db2.gz PNGUNXCRCACJSW-KGLIPLIRSA-N 2 1 337.468 0.961 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COC2(CCOCC2)O1 ZINC000262129908 436908871 /nfs/dbraw/zinc/90/88/71/436908871.db2.gz KPCKSLHWNXCCJY-KBPBESRZSA-N 2 1 326.441 0.297 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1cccc(O)c1 ZINC000264230274 437019446 /nfs/dbraw/zinc/01/94/46/437019446.db2.gz CGEPOBOBGROFIU-HNNXBMFYSA-N 2 1 347.463 0.901 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000286391230 437090883 /nfs/dbraw/zinc/09/08/83/437090883.db2.gz DHHXAVJCUBQHFI-OAHLLOKOSA-N 2 1 348.491 0.910 20 30 ECEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000180412608 437290431 /nfs/dbraw/zinc/29/04/31/437290431.db2.gz UANGWLMXYAIJOM-HNNXBMFYSA-N 2 1 342.509 0.968 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000180412608 437290437 /nfs/dbraw/zinc/29/04/37/437290437.db2.gz UANGWLMXYAIJOM-HNNXBMFYSA-N 2 1 342.509 0.968 20 30 ECEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000267395275 437327925 /nfs/dbraw/zinc/32/79/25/437327925.db2.gz DYIMGNDFHJLMDP-CQSZACIVSA-N 2 1 335.452 0.354 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733029 437641254 /nfs/dbraw/zinc/64/12/54/437641254.db2.gz AHJJJSPCWKVHDV-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343762956 437649538 /nfs/dbraw/zinc/64/95/38/437649538.db2.gz JDTUXFSLIHWJFU-GDBMZVCRSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000343760747 437649670 /nfs/dbraw/zinc/64/96/70/437649670.db2.gz FJQFMSALOGEJRF-UHFFFAOYSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340826836 437746782 /nfs/dbraw/zinc/74/67/82/437746782.db2.gz OVWNQSQHRHZRCT-HZPDHXFCSA-N 2 1 334.464 0.496 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422296524 438547603 /nfs/dbraw/zinc/54/76/03/438547603.db2.gz OPGUXLHEEUDVJU-MRXNPFEDSA-N 2 1 336.480 0.694 20 30 ECEDMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nn1CCC#N ZINC000596816546 439004655 /nfs/dbraw/zinc/00/46/55/439004655.db2.gz JDEXHDVBUQFNGW-AWEZNQCLSA-N 2 1 349.483 1.499 20 30 ECEDMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nn1CCC#N ZINC000596816546 439004659 /nfs/dbraw/zinc/00/46/59/439004659.db2.gz JDEXHDVBUQFNGW-AWEZNQCLSA-N 2 1 349.483 1.499 20 30 ECEDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580773560 439128376 /nfs/dbraw/zinc/12/83/76/439128376.db2.gz DPLNLCSMQQQAHX-ROUUACIJSA-N 2 1 347.459 0.980 20 30 ECEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000580888013 439141656 /nfs/dbraw/zinc/14/16/56/439141656.db2.gz SWCSTFPWYSDNNT-OAHLLOKOSA-N 2 1 343.427 0.884 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000592481379 439235498 /nfs/dbraw/zinc/23/54/98/439235498.db2.gz GXCBJCUJAGNGTM-UHFFFAOYSA-N 2 1 337.512 0.962 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000491392143 439376009 /nfs/dbraw/zinc/37/60/09/439376009.db2.gz AFHQAENMYUCLTE-DLBZAZTESA-N 2 1 336.480 0.619 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000491786533 439451874 /nfs/dbraw/zinc/45/18/74/439451874.db2.gz PBQGCTIJWWFJQA-QGZVFWFLSA-N 2 1 337.512 0.513 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000491786533 439451878 /nfs/dbraw/zinc/45/18/78/439451878.db2.gz PBQGCTIJWWFJQA-QGZVFWFLSA-N 2 1 337.512 0.513 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000491786533 439451882 /nfs/dbraw/zinc/45/18/82/439451882.db2.gz PBQGCTIJWWFJQA-QGZVFWFLSA-N 2 1 337.512 0.513 20 30 ECEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000571551667 439511069 /nfs/dbraw/zinc/51/10/69/439511069.db2.gz SFSGGHUUKMQNKF-IBGZPJMESA-N 2 1 346.475 0.815 20 30 ECEDMP COC(=O)CC[NH+]1CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000799489608 578666298 /nfs/dbraw/zinc/66/62/98/578666298.db2.gz XMXIFHZCNYJUPE-UHFFFAOYSA-N 2 1 326.441 0.313 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000900694170 586653595 /nfs/dbraw/zinc/65/35/95/586653595.db2.gz FZZHQYYAJRXIFO-VGWMRTNUSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CCC1(O)CC[NH+](CC#CC[NH+]2CCC(O)(CC#C)CC2)CC1 ZINC000880481687 590395229 /nfs/dbraw/zinc/39/52/29/590395229.db2.gz YHBYYGWGWXRCNG-UHFFFAOYSA-N 2 1 328.456 0.690 20 30 ECEDMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751216 590409099 /nfs/dbraw/zinc/40/90/99/590409099.db2.gz MPAOQWIZLPJWCZ-SJLPKXTDSA-N 2 1 342.443 0.972 20 30 ECEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751216 590409102 /nfs/dbraw/zinc/40/91/02/590409102.db2.gz MPAOQWIZLPJWCZ-SJLPKXTDSA-N 2 1 342.443 0.972 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133473956 590704201 /nfs/dbraw/zinc/70/42/01/590704201.db2.gz UHUOHURGWGXUPD-LSDHHAIUSA-N 3 1 337.512 0.887 20 30 ECEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000133473956 590704204 /nfs/dbraw/zinc/70/42/04/590704204.db2.gz UHUOHURGWGXUPD-LSDHHAIUSA-N 2 1 337.512 0.887 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000884179344 590764343 /nfs/dbraw/zinc/76/43/43/590764343.db2.gz MAANPJHEBZLKME-NDUQDZPOSA-N 2 1 332.448 0.449 20 30 ECEDMP CC(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCOCC1 ZINC000884183777 590766022 /nfs/dbraw/zinc/76/60/22/590766022.db2.gz WXJKODIFFMHVRP-NDUQDZPOSA-N 2 1 334.464 0.599 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000930481158 611433705 /nfs/dbraw/zinc/43/37/05/611433705.db2.gz SRGJXYCMTPRXQX-LSDHHAIUSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CCN(C(=O)C(=O)NCCCC[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000930806753 611466088 /nfs/dbraw/zinc/46/60/88/611466088.db2.gz WYIMBZJATPAEJM-UHFFFAOYSA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000946796534 611485448 /nfs/dbraw/zinc/48/54/48/611485448.db2.gz LDLGHMQOIFGHPI-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000946796534 611485450 /nfs/dbraw/zinc/48/54/50/611485450.db2.gz LDLGHMQOIFGHPI-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000946796534 611485453 /nfs/dbraw/zinc/48/54/53/611485453.db2.gz LDLGHMQOIFGHPI-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000946796534 611485456 /nfs/dbraw/zinc/48/54/56/611485456.db2.gz LDLGHMQOIFGHPI-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC000949060885 611568299 /nfs/dbraw/zinc/56/82/99/611568299.db2.gz QANBIAMPPNFYRS-MRXNPFEDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949060885 611568304 /nfs/dbraw/zinc/56/83/04/611568304.db2.gz QANBIAMPPNFYRS-MRXNPFEDSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000938224571 609552471 /nfs/dbraw/zinc/55/24/71/609552471.db2.gz VLUVAXSHIHVZSW-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000938224571 609552474 /nfs/dbraw/zinc/55/24/74/609552474.db2.gz VLUVAXSHIHVZSW-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000938224571 609552476 /nfs/dbraw/zinc/55/24/76/609552476.db2.gz VLUVAXSHIHVZSW-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000938224571 609552478 /nfs/dbraw/zinc/55/24/78/609552478.db2.gz VLUVAXSHIHVZSW-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910886027 609773666 /nfs/dbraw/zinc/77/36/66/609773666.db2.gz JEIBBLAXOSRWGB-DOTOQJQBSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000941241636 610614318 /nfs/dbraw/zinc/61/43/18/610614318.db2.gz IHKCVQYOKXYKGC-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000941241636 610614320 /nfs/dbraw/zinc/61/43/20/610614320.db2.gz IHKCVQYOKXYKGC-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000941241636 610614321 /nfs/dbraw/zinc/61/43/21/610614321.db2.gz IHKCVQYOKXYKGC-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000941241636 610614326 /nfs/dbraw/zinc/61/43/26/610614326.db2.gz IHKCVQYOKXYKGC-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949395133 611963196 /nfs/dbraw/zinc/96/31/96/611963196.db2.gz OENFDPFZZFPSIH-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395133 611963197 /nfs/dbraw/zinc/96/31/97/611963197.db2.gz OENFDPFZZFPSIH-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395133 611963199 /nfs/dbraw/zinc/96/31/99/611963199.db2.gz OENFDPFZZFPSIH-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395133 611963201 /nfs/dbraw/zinc/96/32/01/611963201.db2.gz OENFDPFZZFPSIH-IAGOWNOFSA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000951637396 612421001 /nfs/dbraw/zinc/42/10/01/612421001.db2.gz UPBIFGPLVUXGNY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000951637396 612421006 /nfs/dbraw/zinc/42/10/06/612421006.db2.gz UPBIFGPLVUXGNY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000951637396 612421010 /nfs/dbraw/zinc/42/10/10/612421010.db2.gz UPBIFGPLVUXGNY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000951637396 612421013 /nfs/dbraw/zinc/42/10/13/612421013.db2.gz UPBIFGPLVUXGNY-ULQDDVLXSA-N 2 1 346.475 0.285 20 30 ECEDMP C=CCN1CC[C@@H](N(C)[C@@H]2CCN(C(=O)CCn3ccnc3)C2)C1=O ZINC000972040946 735546472 /nfs/dbraw/zinc/54/64/72/735546472.db2.gz VOOVXBMQGCIHRR-HZPDHXFCSA-N 2 1 345.447 0.593 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979816 790273200 /nfs/dbraw/zinc/27/32/00/790273200.db2.gz QONKQBKRDJAGTP-SJORKVTESA-N 2 1 349.398 0.604 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979816 790273206 /nfs/dbraw/zinc/27/32/06/790273206.db2.gz QONKQBKRDJAGTP-SJORKVTESA-N 2 1 349.398 0.604 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC000969965179 732563653 /nfs/dbraw/zinc/56/36/53/732563653.db2.gz NSEPRXYEVFVATD-HZPDHXFCSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nncn3C)C2)CC1 ZINC000970792723 733943667 /nfs/dbraw/zinc/94/36/67/733943667.db2.gz SOEIYOSMRUVCHV-GDBMZVCRSA-N 2 1 344.463 0.412 20 30 ECEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083220747 734749229 /nfs/dbraw/zinc/74/92/29/734749229.db2.gz PSQYEGBQFXTQRT-JKSUJKDBSA-N 2 1 333.436 0.156 20 30 ECEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083220747 734749230 /nfs/dbraw/zinc/74/92/30/734749230.db2.gz PSQYEGBQFXTQRT-JKSUJKDBSA-N 2 1 333.436 0.156 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC000971704035 734965604 /nfs/dbraw/zinc/96/56/04/734965604.db2.gz PXZYHVBYGLUKOF-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCN2CCCC2=O)C1 ZINC000971704035 734965605 /nfs/dbraw/zinc/96/56/05/734965605.db2.gz PXZYHVBYGLUKOF-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCN2CCCC2=O)C1 ZINC000971704035 734965608 /nfs/dbraw/zinc/96/56/08/734965608.db2.gz PXZYHVBYGLUKOF-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCN2CCCC2=O)C1 ZINC000971704035 734965610 /nfs/dbraw/zinc/96/56/10/734965610.db2.gz PXZYHVBYGLUKOF-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410587 736144268 /nfs/dbraw/zinc/14/42/68/736144268.db2.gz SRZYBEYUFKOVMI-PKOBYXMFSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001023423640 736806132 /nfs/dbraw/zinc/80/61/32/736806132.db2.gz BNIIBIRXFNDJSN-AEFFLSMTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098578548 737075174 /nfs/dbraw/zinc/07/51/74/737075174.db2.gz XGASZCDRFYVUPY-DLBZAZTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098578548 737075178 /nfs/dbraw/zinc/07/51/78/737075178.db2.gz XGASZCDRFYVUPY-DLBZAZTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001025630006 739795825 /nfs/dbraw/zinc/79/58/25/739795825.db2.gz NZDIYZXYKXGXJL-ZBFHGGJFSA-N 2 1 334.464 0.034 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1=O ZINC001203208947 739956923 /nfs/dbraw/zinc/95/69/23/739956923.db2.gz PHPIFJBYVWJCMQ-INIZCTEOSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256847 741572295 /nfs/dbraw/zinc/57/22/95/741572295.db2.gz VVSXKENQORBJLM-HNNXBMFYSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)nn1 ZINC001105256847 741572298 /nfs/dbraw/zinc/57/22/98/741572298.db2.gz VVSXKENQORBJLM-HNNXBMFYSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256847 741572303 /nfs/dbraw/zinc/57/23/03/741572303.db2.gz VVSXKENQORBJLM-HNNXBMFYSA-N 2 1 346.479 0.915 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001105283103 741642664 /nfs/dbraw/zinc/64/26/64/741642664.db2.gz FBQDBLUWKZEENM-UHFFFAOYSA-N 2 1 329.408 0.532 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999397282 744674564 /nfs/dbraw/zinc/67/45/64/744674564.db2.gz LMGFWMQNUCSNHO-IRXDYDNUSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999397282 744674567 /nfs/dbraw/zinc/67/45/67/744674567.db2.gz LMGFWMQNUCSNHO-IRXDYDNUSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnon2)CC1 ZINC001029107744 745100842 /nfs/dbraw/zinc/10/08/42/745100842.db2.gz FCAIUQXTFQHSAL-PBHICJAKSA-N 2 1 345.447 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnon2)CC1 ZINC001029107744 745100845 /nfs/dbraw/zinc/10/08/45/745100845.db2.gz FCAIUQXTFQHSAL-PBHICJAKSA-N 2 1 345.447 0.884 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3ccn4c[nH+]cc4c3)nn2)C1 ZINC001000005146 745172348 /nfs/dbraw/zinc/17/23/48/745172348.db2.gz ZKMBOTWFHJNDTP-MRXNPFEDSA-N 2 1 349.398 0.736 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001000023122 745193971 /nfs/dbraw/zinc/19/39/71/745193971.db2.gz YATVDXYNZNZHHI-MRXNPFEDSA-N 2 1 332.452 0.669 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046318 745227009 /nfs/dbraw/zinc/22/70/09/745227009.db2.gz SHPBDWIHPFEGOG-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046318 745227014 /nfs/dbraw/zinc/22/70/14/745227014.db2.gz SHPBDWIHPFEGOG-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046318 745227018 /nfs/dbraw/zinc/22/70/18/745227018.db2.gz SHPBDWIHPFEGOG-GOEBONIOSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC001000158601 745299225 /nfs/dbraw/zinc/29/92/25/745299225.db2.gz VKYPUGLILWBJDS-IAGOWNOFSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000983901165 745477102 /nfs/dbraw/zinc/47/71/02/745477102.db2.gz LAJNNLVIAAKKGL-BQFCYCMXSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC000983902645 745480523 /nfs/dbraw/zinc/48/05/23/745480523.db2.gz XBQOSGCYYOFHNI-DZKIICNBSA-N 2 1 346.431 0.765 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC000983902645 745480524 /nfs/dbraw/zinc/48/05/24/745480524.db2.gz XBQOSGCYYOFHNI-DZKIICNBSA-N 2 1 346.431 0.765 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978184880 746029564 /nfs/dbraw/zinc/02/95/64/746029564.db2.gz WLMINHHCRFBLCF-PHZGNYQRSA-N 2 1 331.464 0.928 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000978287891 746129771 /nfs/dbraw/zinc/12/97/71/746129771.db2.gz ZLHNOIVUJRBROM-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000978287891 746129772 /nfs/dbraw/zinc/12/97/72/746129772.db2.gz ZLHNOIVUJRBROM-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC000978287891 746129774 /nfs/dbraw/zinc/12/97/74/746129774.db2.gz ZLHNOIVUJRBROM-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC000978287891 746129776 /nfs/dbraw/zinc/12/97/76/746129776.db2.gz ZLHNOIVUJRBROM-OKYOBFRVSA-N 2 1 338.455 0.973 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567328 746430560 /nfs/dbraw/zinc/43/05/60/746430560.db2.gz YQMILBIBLAYREN-HSPZGVKFSA-N 2 1 329.444 0.167 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567328 746430563 /nfs/dbraw/zinc/43/05/63/746430563.db2.gz YQMILBIBLAYREN-HSPZGVKFSA-N 2 1 329.444 0.167 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567328 746430568 /nfs/dbraw/zinc/43/05/68/746430568.db2.gz YQMILBIBLAYREN-HSPZGVKFSA-N 2 1 329.444 0.167 20 30 ECEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001644759 746566973 /nfs/dbraw/zinc/56/69/73/746566973.db2.gz CLNFIJRCTOJGNS-HFCFLWKCSA-N 2 1 331.460 0.701 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1=O ZINC000984803774 746960637 /nfs/dbraw/zinc/96/06/37/746960637.db2.gz JNAJXOSXXLVBPF-QAETUUGQSA-N 2 1 348.491 0.742 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342576 747588959 /nfs/dbraw/zinc/58/89/59/747588959.db2.gz LLNXCTJVACPQBU-WBVHZDCISA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342576 747588965 /nfs/dbraw/zinc/58/89/65/747588965.db2.gz LLNXCTJVACPQBU-WBVHZDCISA-N 2 1 344.463 0.954 20 30 ECEDMP CCOCCCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000303908262 748177211 /nfs/dbraw/zinc/17/72/11/748177211.db2.gz XJRZBQVDVDMASB-QGZVFWFLSA-N 2 1 334.464 0.737 20 30 ECEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1 ZINC001112190312 748723329 /nfs/dbraw/zinc/72/33/29/748723329.db2.gz VJDHTYMSVJTKMT-ZIAGYGMSSA-N 2 1 349.397 0.957 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001029904134 749534292 /nfs/dbraw/zinc/53/42/92/749534292.db2.gz NYQCTWQAPBNEFB-IAGOWNOFSA-N 2 1 348.491 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(=O)N3CCC3)C2)CC1 ZINC000980479105 749631694 /nfs/dbraw/zinc/63/16/94/749631694.db2.gz SIBHPSIAKMNWSF-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)N3CCC3)C2)CC1 ZINC000980479105 749631700 /nfs/dbraw/zinc/63/17/00/749631700.db2.gz SIBHPSIAKMNWSF-KRWDZBQOSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H]3CCOC3)C2)CC1 ZINC000980479890 749642460 /nfs/dbraw/zinc/64/24/60/749642460.db2.gz YYGYQSNVDCMOHJ-SJLPKXTDSA-N 2 1 333.476 0.901 20 30 ECEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112211904 750193660 /nfs/dbraw/zinc/19/36/60/750193660.db2.gz CALPBNDEWLKZNP-ZIAGYGMSSA-N 2 1 349.397 0.955 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncccn3)[C@H]2C)CC1 ZINC000987578953 750981329 /nfs/dbraw/zinc/98/13/29/750981329.db2.gz ZBGAHADGGSCFHK-WBVHZDCISA-N 2 1 341.459 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001028333609 752411336 /nfs/dbraw/zinc/41/13/36/752411336.db2.gz OWSCCNIOKULXAS-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001028333609 752411339 /nfs/dbraw/zinc/41/13/39/752411339.db2.gz OWSCCNIOKULXAS-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001028333610 752411822 /nfs/dbraw/zinc/41/18/22/752411822.db2.gz OWSCCNIOKULXAS-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001028333610 752411829 /nfs/dbraw/zinc/41/18/29/752411829.db2.gz OWSCCNIOKULXAS-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001021078346 752513466 /nfs/dbraw/zinc/51/34/66/752513466.db2.gz CTAMURKCGYFQBD-AVGNSLFASA-N 2 1 346.269 0.853 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001021078346 752513471 /nfs/dbraw/zinc/51/34/71/752513471.db2.gz CTAMURKCGYFQBD-AVGNSLFASA-N 2 1 346.269 0.853 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644533 752522901 /nfs/dbraw/zinc/52/29/01/752522901.db2.gz CPIYQHXKNXKFME-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644533 752522907 /nfs/dbraw/zinc/52/29/07/752522907.db2.gz CPIYQHXKNXKFME-HOTGVXAUSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csnn3)C2)CC1 ZINC001021092113 752532856 /nfs/dbraw/zinc/53/28/56/752532856.db2.gz GDSCMYODXVZDJW-HDJSIYSDSA-N 2 1 333.461 0.620 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001028601756 753878407 /nfs/dbraw/zinc/87/84/07/753878407.db2.gz UUEMDESAYVSUQB-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001028601756 753878413 /nfs/dbraw/zinc/87/84/13/753878413.db2.gz UUEMDESAYVSUQB-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001028601756 753878417 /nfs/dbraw/zinc/87/84/17/753878417.db2.gz UUEMDESAYVSUQB-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001028601756 753878422 /nfs/dbraw/zinc/87/84/22/753878422.db2.gz UUEMDESAYVSUQB-AEFFLSMTSA-N 2 1 343.475 0.498 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CCCO)C[C@]3(C)C2)CC1 ZINC000982832123 753888671 /nfs/dbraw/zinc/88/86/71/753888671.db2.gz VZYLSZHQTPXGNN-BGYRXZFFSA-N 2 1 347.503 0.884 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376709 754046325 /nfs/dbraw/zinc/04/63/25/754046325.db2.gz CXGUCTYATORKEZ-OKILXGFUSA-N 2 1 332.452 0.810 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376709 754046334 /nfs/dbraw/zinc/04/63/34/754046334.db2.gz CXGUCTYATORKEZ-OKILXGFUSA-N 2 1 332.452 0.810 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)CC1 ZINC001076605644 756724919 /nfs/dbraw/zinc/72/49/19/756724919.db2.gz LHFPKOSVDMSFMM-YESZJQIVSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001077125394 758289805 /nfs/dbraw/zinc/28/98/05/758289805.db2.gz UIBGLESTUXTAES-JYJNAYRXSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001077125394 758289812 /nfs/dbraw/zinc/28/98/12/758289812.db2.gz UIBGLESTUXTAES-JYJNAYRXSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001022221122 758442910 /nfs/dbraw/zinc/44/29/10/758442910.db2.gz YLPIFQCEBLTCRE-UXLLHSPISA-N 2 1 329.448 0.563 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001022221122 758442914 /nfs/dbraw/zinc/44/29/14/758442914.db2.gz YLPIFQCEBLTCRE-UXLLHSPISA-N 2 1 329.448 0.563 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000996726697 758641710 /nfs/dbraw/zinc/64/17/10/758641710.db2.gz ZDRBIRARDVMVQJ-IRXDYDNUSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001047638294 759372915 /nfs/dbraw/zinc/37/29/15/759372915.db2.gz MAWVABBTFNNDAN-ROUUACIJSA-N 2 1 333.476 0.635 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccnc3)C2)CC1 ZINC001032204826 759604846 /nfs/dbraw/zinc/60/48/46/759604846.db2.gz GNUJTOLCWXUIPU-UHFFFAOYSA-N 2 1 326.444 0.975 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC001050208600 759943737 /nfs/dbraw/zinc/94/37/37/759943737.db2.gz PKVKXOAYYSHIPN-BHYGNILZSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995920298 760778604 /nfs/dbraw/zinc/77/86/04/760778604.db2.gz DZKHIRQSBKXKFV-IRXDYDNUSA-N 2 1 343.475 0.807 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995920298 760778607 /nfs/dbraw/zinc/77/86/07/760778607.db2.gz DZKHIRQSBKXKFV-IRXDYDNUSA-N 2 1 343.475 0.807 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995924574 760785190 /nfs/dbraw/zinc/78/51/90/760785190.db2.gz QFBQWSIFBRJFJB-JKSUJKDBSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC000995924574 760785193 /nfs/dbraw/zinc/78/51/93/760785193.db2.gz QFBQWSIFBRJFJB-JKSUJKDBSA-N 2 1 344.463 0.202 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046849429 763226465 /nfs/dbraw/zinc/22/64/65/763226465.db2.gz FBKJRLJXIRSXFM-LJQANCHMSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046849429 763226473 /nfs/dbraw/zinc/22/64/73/763226473.db2.gz FBKJRLJXIRSXFM-LJQANCHMSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001046850635 763231780 /nfs/dbraw/zinc/23/17/80/763231780.db2.gz YZDVMPUNAZWLLH-GOSISDBHSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001046850635 763231786 /nfs/dbraw/zinc/23/17/86/763231786.db2.gz YZDVMPUNAZWLLH-GOSISDBHSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000940527625 763368749 /nfs/dbraw/zinc/36/87/49/763368749.db2.gz BCAQMIRMIZFXDW-IAGOWNOFSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCC)CC2)C1 ZINC001052036982 763652679 /nfs/dbraw/zinc/65/26/79/763652679.db2.gz ADKKEBZSSKBGOJ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCC)CC2)C1 ZINC001052036982 763652684 /nfs/dbraw/zinc/65/26/84/763652684.db2.gz ADKKEBZSSKBGOJ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081618 763798363 /nfs/dbraw/zinc/79/83/63/763798363.db2.gz CUTQEHXXXZGOSI-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081620 763798952 /nfs/dbraw/zinc/79/89/52/763798952.db2.gz CUTQEHXXXZGOSI-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052093039 763834521 /nfs/dbraw/zinc/83/45/21/763834521.db2.gz IZWVPZMOSVYODA-LJQANCHMSA-N 2 1 346.519 0.960 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047558580 764692996 /nfs/dbraw/zinc/69/29/96/764692996.db2.gz BSOKDDFXQCSYIO-IRXDYDNUSA-N 2 1 349.479 0.528 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1=O ZINC001031666920 766392608 /nfs/dbraw/zinc/39/26/08/766392608.db2.gz UAYJGQMHMSRXET-SJORKVTESA-N 2 1 348.491 0.694 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1=O ZINC001031666920 766392619 /nfs/dbraw/zinc/39/26/19/766392619.db2.gz UAYJGQMHMSRXET-SJORKVTESA-N 2 1 348.491 0.694 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035074 766717823 /nfs/dbraw/zinc/71/78/23/766717823.db2.gz CWJAJTWDFCURQB-MSOLQXFVSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041980 766754087 /nfs/dbraw/zinc/75/40/87/766754087.db2.gz VWZFJESPGWMVKQ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041980 766754091 /nfs/dbraw/zinc/75/40/91/766754091.db2.gz VWZFJESPGWMVKQ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041980 766754094 /nfs/dbraw/zinc/75/40/94/766754094.db2.gz VWZFJESPGWMVKQ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047844 766779155 /nfs/dbraw/zinc/77/91/55/766779155.db2.gz YVOPIJOVPIINDZ-RBUKOAKNSA-N 2 1 344.503 0.713 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046053689 766797751 /nfs/dbraw/zinc/79/77/51/766797751.db2.gz ADSYQTSVVQTYDQ-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053689 766797756 /nfs/dbraw/zinc/79/77/56/766797756.db2.gz ADSYQTSVVQTYDQ-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046053689 766797762 /nfs/dbraw/zinc/79/77/62/766797762.db2.gz ADSYQTSVVQTYDQ-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001046080152 766915642 /nfs/dbraw/zinc/91/56/42/766915642.db2.gz ASAIVLJPZAGPFH-MRXNPFEDSA-N 2 1 329.448 0.502 20 30 ECEDMP C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001018266441 769000801 /nfs/dbraw/zinc/00/08/01/769000801.db2.gz OJEVELVQIJQZBB-MWDXBVQZSA-N 2 1 346.475 0.400 20 30 ECEDMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055546097 769082228 /nfs/dbraw/zinc/08/22/28/769082228.db2.gz XQYQCCCWEJQNLD-QGZVFWFLSA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055546097 769082238 /nfs/dbraw/zinc/08/22/38/769082238.db2.gz XQYQCCCWEJQNLD-QGZVFWFLSA-N 2 1 346.475 0.191 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)C#CC3CC3)CC2)C1 ZINC001055573883 769157085 /nfs/dbraw/zinc/15/70/85/769157085.db2.gz KMOHONMAJCSMAU-INIZCTEOSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000993882186 769781445 /nfs/dbraw/zinc/78/14/45/769781445.db2.gz UALNWCBLCHMQAU-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000993882186 769781473 /nfs/dbraw/zinc/78/14/73/769781473.db2.gz UALNWCBLCHMQAU-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000993882186 769781477 /nfs/dbraw/zinc/78/14/77/769781477.db2.gz UALNWCBLCHMQAU-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000993882186 769781485 /nfs/dbraw/zinc/78/14/85/769781485.db2.gz UALNWCBLCHMQAU-SJORKVTESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001042268222 783011137 /nfs/dbraw/zinc/01/11/37/783011137.db2.gz ZQUQXGBURFFVRY-RDJZCZTQSA-N 2 1 329.448 0.614 20 30 ECEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680609 781498354 /nfs/dbraw/zinc/49/83/54/781498354.db2.gz OVLQLFNVZXZAQH-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680609 781498361 /nfs/dbraw/zinc/49/83/61/781498361.db2.gz OVLQLFNVZXZAQH-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680609 781498367 /nfs/dbraw/zinc/49/83/67/781498367.db2.gz OVLQLFNVZXZAQH-CKEIUWERSA-N 2 1 327.444 0.936 20 30 ECEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708275 781559079 /nfs/dbraw/zinc/55/90/79/781559079.db2.gz BJKSRNXEMHYDDL-XMTFNYHQSA-N 2 1 329.444 0.679 20 30 ECEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708275 781559082 /nfs/dbraw/zinc/55/90/82/781559082.db2.gz BJKSRNXEMHYDDL-XMTFNYHQSA-N 2 1 329.444 0.679 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708275 781559086 /nfs/dbraw/zinc/55/90/86/781559086.db2.gz BJKSRNXEMHYDDL-XMTFNYHQSA-N 2 1 329.444 0.679 20 30 ECEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708275 781559087 /nfs/dbraw/zinc/55/90/87/781559087.db2.gz BJKSRNXEMHYDDL-XMTFNYHQSA-N 2 1 329.444 0.679 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001070409646 783997464 /nfs/dbraw/zinc/99/74/64/783997464.db2.gz IZLJNUDSBUIFDV-NVXWUHKLSA-N 2 1 341.459 0.790 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070433009 784058440 /nfs/dbraw/zinc/05/84/40/784058440.db2.gz XYYQEKKVWSHSDW-OAHLLOKOSA-N 2 1 341.459 0.934 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534583 784240004 /nfs/dbraw/zinc/24/00/04/784240004.db2.gz BIPBDXHPLFENMJ-YQQAZPJKSA-N 2 1 331.464 0.832 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073634204 786827132 /nfs/dbraw/zinc/82/71/32/786827132.db2.gz OIGZUTZCPUSEHO-HOTGVXAUSA-N 2 1 330.432 0.991 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073634204 786827144 /nfs/dbraw/zinc/82/71/44/786827144.db2.gz OIGZUTZCPUSEHO-HOTGVXAUSA-N 2 1 330.432 0.991 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@H](C)OC)C3)CC1 ZINC001073455158 789863002 /nfs/dbraw/zinc/86/30/02/789863002.db2.gz ABBRVHHXNAHJNE-INIZCTEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928782 790200900 /nfs/dbraw/zinc/20/09/00/790200900.db2.gz IPJHVPLQGCXQLG-BBWFWOEESA-N 2 1 344.463 0.538 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928782 790200905 /nfs/dbraw/zinc/20/09/05/790200905.db2.gz IPJHVPLQGCXQLG-BBWFWOEESA-N 2 1 344.463 0.538 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267557268 837765659 /nfs/dbraw/zinc/76/56/59/837765659.db2.gz BBWSPDFKMUEBOR-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267557268 837765667 /nfs/dbraw/zinc/76/56/67/837765667.db2.gz BBWSPDFKMUEBOR-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001267557268 837765674 /nfs/dbraw/zinc/76/56/74/837765674.db2.gz BBWSPDFKMUEBOR-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001267557268 837765687 /nfs/dbraw/zinc/76/56/87/837765687.db2.gz BBWSPDFKMUEBOR-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266531147 835947625 /nfs/dbraw/zinc/94/76/25/835947625.db2.gz UOFFPTDLJFFAOH-GOEBONIOSA-N 2 1 347.463 0.224 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611512 836046069 /nfs/dbraw/zinc/04/60/69/836046069.db2.gz MIRADBNYHRBBCP-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611512 836046083 /nfs/dbraw/zinc/04/60/83/836046083.db2.gz MIRADBNYHRBBCP-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611512 836046097 /nfs/dbraw/zinc/04/60/97/836046097.db2.gz MIRADBNYHRBBCP-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)C2CC2)C1=O ZINC001266611512 836046110 /nfs/dbraw/zinc/04/61/10/836046110.db2.gz MIRADBNYHRBBCP-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266750352 836240444 /nfs/dbraw/zinc/24/04/44/836240444.db2.gz VGOYNHILMWWBDD-WMZOPIPTSA-N 2 1 333.476 0.806 20 30 ECEDMP C#Cc1cccc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001266992910 836575536 /nfs/dbraw/zinc/57/55/36/836575536.db2.gz FRUYDYSFRZOQTJ-GDBMZVCRSA-N 2 1 342.443 0.652 20 30 ECEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267001585 836592757 /nfs/dbraw/zinc/59/27/57/836592757.db2.gz SRQLXYQBUUETBQ-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267018974 836635112 /nfs/dbraw/zinc/63/51/12/836635112.db2.gz VKLUSIPTAIDSAD-SJORKVTESA-N 2 1 348.491 0.719 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCn1nc(C)cc1C ZINC001267199983 836973605 /nfs/dbraw/zinc/97/36/05/836973605.db2.gz AHTJLVGMHNGKDD-KRWDZBQOSA-N 2 1 331.464 0.646 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCn1nc(C)cc1C ZINC001267199983 836973611 /nfs/dbraw/zinc/97/36/11/836973611.db2.gz AHTJLVGMHNGKDD-KRWDZBQOSA-N 2 1 331.464 0.646 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCn1nc(C)cc1C ZINC001267199983 836973618 /nfs/dbraw/zinc/97/36/18/836973618.db2.gz AHTJLVGMHNGKDD-KRWDZBQOSA-N 2 1 331.464 0.646 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCn1nc(C)cc1C ZINC001267199983 836973623 /nfs/dbraw/zinc/97/36/23/836973623.db2.gz AHTJLVGMHNGKDD-KRWDZBQOSA-N 2 1 331.464 0.646 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001267842376 838638496 /nfs/dbraw/zinc/63/84/96/838638496.db2.gz RPOTXHXUVVKCCK-HNNXBMFYSA-N 2 1 334.464 0.239 20 30 ECEDMP N#Cc1ccc2ncc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)n2c1 ZINC000123645654 222311383 /nfs/dbraw/zinc/31/13/83/222311383.db2.gz IOHUHDYJQDYORB-HNNXBMFYSA-N 2 1 340.431 0.883 20 30 ECEDMP N#Cc1ccc2ncc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)n2c1 ZINC000123645654 222311388 /nfs/dbraw/zinc/31/13/88/222311388.db2.gz IOHUHDYJQDYORB-HNNXBMFYSA-N 2 1 340.431 0.883 20 30 ECEDMP N#Cc1ccc([C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000373112392 268214510 /nfs/dbraw/zinc/21/45/10/268214510.db2.gz KYXCBGJBUHNUSW-GOSISDBHSA-N 2 1 345.443 0.751 20 30 ECEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C(C)=O)CC1 ZINC000262763444 280841357 /nfs/dbraw/zinc/84/13/57/280841357.db2.gz FDAAZTMXCDNLGW-INIZCTEOSA-N 2 1 341.525 0.553 20 30 ECEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCN(c2ncccn2)CC1 ZINC000262895588 436943243 /nfs/dbraw/zinc/94/32/43/436943243.db2.gz XGGCBMMHDNMKGP-INIZCTEOSA-N 2 1 343.479 0.930 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)s1 ZINC000264060938 437015882 /nfs/dbraw/zinc/01/58/82/437015882.db2.gz CUWPGURJLBYZBF-JTQLQIEISA-N 2 1 345.494 0.284 20 30 ECEDMP Cn1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc2ccccc21 ZINC000264123096 437016828 /nfs/dbraw/zinc/01/68/28/437016828.db2.gz ROXBGVHEHMVDQF-UHFFFAOYSA-N 2 1 330.436 0.700 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(-n2cccn2)cc1 ZINC000264084074 437016971 /nfs/dbraw/zinc/01/69/71/437016971.db2.gz ILQBVDIEQCXGKA-UHFFFAOYSA-N 2 1 342.447 0.999 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cnc2ccccc21 ZINC000264067998 437014560 /nfs/dbraw/zinc/01/45/60/437014560.db2.gz FNHMESYMJMPMBS-UHFFFAOYSA-N 2 1 330.436 0.663 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957052 437072087 /nfs/dbraw/zinc/07/20/87/437072087.db2.gz IHYVPXPNKLRRCM-UHFFFAOYSA-N 2 1 338.452 0.575 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nnc2n1CCCCC2 ZINC000303788818 437157565 /nfs/dbraw/zinc/15/75/65/437157565.db2.gz UTPUZHJSRTUGRV-CQSZACIVSA-N 2 1 333.484 0.936 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000303982228 437157904 /nfs/dbraw/zinc/15/79/04/437157904.db2.gz PYLXPSZOBDRBSJ-GFCCVEGCSA-N 2 1 325.457 0.994 20 30 ECEDMP CC[NH+]1CCC(NC(=O)CN2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000329910779 437429198 /nfs/dbraw/zinc/42/91/98/437429198.db2.gz NMSHZIJYPHCJSM-UHFFFAOYSA-N 2 1 334.468 0.983 20 30 ECEDMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000329994118 437443715 /nfs/dbraw/zinc/44/37/15/437443715.db2.gz ZCAPZQMMVWXZAT-BZUAXINKSA-N 2 1 325.501 0.999 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000343767808 437652372 /nfs/dbraw/zinc/65/23/72/437652372.db2.gz QUFDYDIJWJHWHC-UHFFFAOYSA-N 2 1 334.464 0.450 20 30 ECEDMP COC(=O)[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878517 437918562 /nfs/dbraw/zinc/91/85/62/437918562.db2.gz VICBEAIVLVBMJM-HOTGVXAUSA-N 2 1 336.432 0.760 20 30 ECEDMP COC(=O)[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878517 437918567 /nfs/dbraw/zinc/91/85/67/437918567.db2.gz VICBEAIVLVBMJM-HOTGVXAUSA-N 2 1 336.432 0.760 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000366896704 438141585 /nfs/dbraw/zinc/14/15/85/438141585.db2.gz NDTRPWQYYHGGTJ-QGZVFWFLSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181166 438200836 /nfs/dbraw/zinc/20/08/36/438200836.db2.gz LCPDKTUOAPGURH-LSDHHAIUSA-N 2 1 340.468 0.819 20 30 ECEDMP COC(=O)[C@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000375373438 438251406 /nfs/dbraw/zinc/25/14/06/438251406.db2.gz MHOYMHFTNRDYOC-QZTJIDSGSA-N 2 1 336.432 0.760 20 30 ECEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878498 439149825 /nfs/dbraw/zinc/14/98/25/439149825.db2.gz XNDYARHIQMSSQZ-NVXWUHKLSA-N 2 1 325.453 0.446 20 30 ECEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000602878498 439149829 /nfs/dbraw/zinc/14/98/29/439149829.db2.gz XNDYARHIQMSSQZ-NVXWUHKLSA-N 2 1 325.453 0.446 20 30 ECEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673334 439424508 /nfs/dbraw/zinc/42/45/08/439424508.db2.gz IJMXGALIGYKCBD-DZGCQCFKSA-N 2 1 347.381 0.399 20 30 ECEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000600739141 439697744 /nfs/dbraw/zinc/69/77/44/439697744.db2.gz PZBWSSPJPLMLSW-IAGOWNOFSA-N 2 1 333.432 0.734 20 30 ECEDMP C=C(CNC(=O)C[C@H]1CC[NH+](C)C1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636242069 439837368 /nfs/dbraw/zinc/83/73/68/439837368.db2.gz UFNUINJHDQSKNU-HZPDHXFCSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CC[C@@]1(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CCC[NH2+]1 ZINC000662681548 439842747 /nfs/dbraw/zinc/84/27/47/439842747.db2.gz HLWHGWIUGPCMLJ-SFHVURJKSA-N 2 1 336.480 0.792 20 30 ECEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000568871409 322635577 /nfs/dbraw/zinc/63/55/77/322635577.db2.gz PKIADLXBSVOFLR-QGZVFWFLSA-N 2 1 333.432 0.998 20 30 ECEDMP Cc1[nH+]ccn1CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000579582949 322900811 /nfs/dbraw/zinc/90/08/11/322900811.db2.gz UYLCVQWZWKJBRF-UHFFFAOYSA-N 2 1 333.417 0.912 20 30 ECEDMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329396335 546022115 /nfs/dbraw/zinc/02/21/15/546022115.db2.gz XLTRLKRRHSLCEM-INIZCTEOSA-N 2 1 325.501 0.856 20 30 ECEDMP C[NH+]1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681340095 549250115 /nfs/dbraw/zinc/25/01/15/549250115.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 2 1 334.464 0.191 20 30 ECEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000681340095 549250120 /nfs/dbraw/zinc/25/01/20/549250120.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 2 1 334.464 0.191 20 30 ECEDMP C[NH+]1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000681340095 549250123 /nfs/dbraw/zinc/25/01/23/549250123.db2.gz XYGNEIKMIUWCLG-IYBDPMFKSA-N 2 1 334.464 0.191 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000730285599 578304666 /nfs/dbraw/zinc/30/46/66/578304666.db2.gz ZRJZHSYQTKQCCE-INIZCTEOSA-N 2 1 328.416 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000730285599 578304667 /nfs/dbraw/zinc/30/46/67/578304667.db2.gz ZRJZHSYQTKQCCE-INIZCTEOSA-N 2 1 328.416 0.836 20 30 ECEDMP C=CCNC(=O)CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733736 586805434 /nfs/dbraw/zinc/80/54/34/586805434.db2.gz PIUQSPUEMPAFAN-MRXNPFEDSA-N 2 1 336.480 0.065 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706394 589759931 /nfs/dbraw/zinc/75/99/31/589759931.db2.gz BKYNUXICFVWIOU-ZNMIVQPWSA-N 2 1 334.420 0.054 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706394 589759933 /nfs/dbraw/zinc/75/99/33/589759933.db2.gz BKYNUXICFVWIOU-ZNMIVQPWSA-N 2 1 334.420 0.054 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000104152659 591052542 /nfs/dbraw/zinc/05/25/42/591052542.db2.gz AZBDIRWLXNNYFM-UHFFFAOYSA-N 2 1 349.454 0.985 20 30 ECEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000073777335 611367504 /nfs/dbraw/zinc/36/75/04/611367504.db2.gz GFYWAUFFHKHUEM-OAHLLOKOSA-N 2 1 339.484 0.225 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925173802 611458918 /nfs/dbraw/zinc/45/89/18/611458918.db2.gz ZIHNKJCZFGBZQM-HZPDHXFCSA-N 2 1 336.505 0.963 20 30 ECEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC000949248457 608596623 /nfs/dbraw/zinc/59/66/23/608596623.db2.gz YJVQWIGTBNDTTC-MRXNPFEDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC000949248457 608596627 /nfs/dbraw/zinc/59/66/27/608596627.db2.gz YJVQWIGTBNDTTC-MRXNPFEDSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000919727172 609660889 /nfs/dbraw/zinc/66/08/89/609660889.db2.gz ULVZOYFCOSECDE-MRXNPFEDSA-N 2 1 336.480 0.694 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1)C1CC[NH+](C)CC1 ZINC000910884338 609772913 /nfs/dbraw/zinc/77/29/13/609772913.db2.gz BLIYGMBNDBIAIS-INIZCTEOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CC[NH+](C)CC1 ZINC000910886827 609773896 /nfs/dbraw/zinc/77/38/96/609773896.db2.gz WOFYJUYGLNMGAF-IBGZPJMESA-N 2 1 346.475 0.097 20 30 ECEDMP CC(C)NC(=O)CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912498701 609962353 /nfs/dbraw/zinc/96/23/53/609962353.db2.gz DXJNQVFNEHREBM-UHFFFAOYSA-N 2 1 341.500 0.567 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502320 610345732 /nfs/dbraw/zinc/34/57/32/610345732.db2.gz PRTWUJRRVOLCLB-IBGZPJMESA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239453 610623434 /nfs/dbraw/zinc/62/34/34/610623434.db2.gz OLIJPIQEPCNHLI-RDJZCZTQSA-N 2 1 335.492 0.929 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)C1 ZINC000941410253 610723320 /nfs/dbraw/zinc/72/33/20/610723320.db2.gz DWZYDBRLGIKCDD-UHFFFAOYSA-N 2 1 346.479 0.073 20 30 ECEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185524577 611050754 /nfs/dbraw/zinc/05/07/54/611050754.db2.gz QOGROMQQZBXYRP-HNNXBMFYSA-N 2 1 339.484 0.083 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000944098667 611131056 /nfs/dbraw/zinc/13/10/56/611131056.db2.gz CZUQGISZKVTZLT-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000944098667 611131057 /nfs/dbraw/zinc/13/10/57/611131057.db2.gz CZUQGISZKVTZLT-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000944098667 611131059 /nfs/dbraw/zinc/13/10/59/611131059.db2.gz CZUQGISZKVTZLT-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000944098667 611131061 /nfs/dbraw/zinc/13/10/61/611131061.db2.gz CZUQGISZKVTZLT-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000950755763 611891416 /nfs/dbraw/zinc/89/14/16/611891416.db2.gz UCAKTNWJZVSUOR-JYJNAYRXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)[C@H](CC)[NH+](C)C ZINC000950755763 611891417 /nfs/dbraw/zinc/89/14/17/611891417.db2.gz UCAKTNWJZVSUOR-JYJNAYRXSA-N 2 1 334.464 0.141 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189552 611894367 /nfs/dbraw/zinc/89/43/67/611894367.db2.gz YWDRKSUOAAGNFL-DLBZAZTESA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)C(N)=O)C3)C2)CC1 ZINC001041845176 782326839 /nfs/dbraw/zinc/32/68/39/782326839.db2.gz UQLRHQZBWVJANW-KXBFYZLASA-N 2 1 346.475 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H](CC)C(N)=O)C2)CC1 ZINC000970919748 734089367 /nfs/dbraw/zinc/08/93/67/734089367.db2.gz FXRWZVMWAWNVRY-BBRMVZONSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC000970924930 734092514 /nfs/dbraw/zinc/09/25/14/734092514.db2.gz NVOVMOZLDJKIEC-PBHICJAKSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)CC1 ZINC001078226980 782521275 /nfs/dbraw/zinc/52/12/75/782521275.db2.gz CLPUPZRVYKORHU-QZTJIDSGSA-N 2 1 349.475 0.062 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)CC1 ZINC001078227097 782522842 /nfs/dbraw/zinc/52/28/42/782522842.db2.gz ISQXQOFLWWYSNH-ZIAGYGMSSA-N 2 1 347.381 0.445 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)CC1 ZINC001078227097 782522844 /nfs/dbraw/zinc/52/28/44/782522844.db2.gz ISQXQOFLWWYSNH-ZIAGYGMSSA-N 2 1 347.381 0.445 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001023761930 737326191 /nfs/dbraw/zinc/32/61/91/737326191.db2.gz MVLBARDEDFUJEW-LSDHHAIUSA-N 2 1 334.464 0.034 20 30 ECEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682870 737371967 /nfs/dbraw/zinc/37/19/67/737371967.db2.gz JCMXDHMESOQKBP-WMZOPIPTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682870 737371971 /nfs/dbraw/zinc/37/19/71/737371971.db2.gz JCMXDHMESOQKBP-WMZOPIPTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682870 737371976 /nfs/dbraw/zinc/37/19/76/737371976.db2.gz JCMXDHMESOQKBP-WMZOPIPTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682870 737371979 /nfs/dbraw/zinc/37/19/79/737371979.db2.gz JCMXDHMESOQKBP-WMZOPIPTSA-N 2 1 337.464 0.587 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001025425394 739482193 /nfs/dbraw/zinc/48/21/93/739482193.db2.gz PJKNJTRXUYDLHQ-CVEARBPZSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001025630003 739794873 /nfs/dbraw/zinc/79/48/73/739794873.db2.gz NZDIYZXYKXGXJL-GDBMZVCRSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167733020 740551359 /nfs/dbraw/zinc/55/13/59/740551359.db2.gz RVPOVCZTMPOCAQ-JKSUJKDBSA-N 2 1 348.491 0.342 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242829 741543547 /nfs/dbraw/zinc/54/35/47/741543547.db2.gz KJWNFRPGFZUUBU-KRWDZBQOSA-N 2 1 344.463 0.669 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749031 741758380 /nfs/dbraw/zinc/75/83/80/741758380.db2.gz AAMWXELTAQHPLF-MAUKXSAKSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC001026749031 741758383 /nfs/dbraw/zinc/75/83/83/741758383.db2.gz AAMWXELTAQHPLF-MAUKXSAKSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749448 741759240 /nfs/dbraw/zinc/75/92/40/741759240.db2.gz ISHKDWNLAVPWLK-CJNGLKHVSA-N 2 1 348.472 0.888 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749448 741759242 /nfs/dbraw/zinc/75/92/42/741759242.db2.gz ISHKDWNLAVPWLK-CJNGLKHVSA-N 2 1 348.472 0.888 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327169 741812455 /nfs/dbraw/zinc/81/24/55/741812455.db2.gz UTBRZFWAGWGADF-XJKSGUPXSA-N 2 1 332.452 0.525 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105327169 741812460 /nfs/dbraw/zinc/81/24/60/741812460.db2.gz UTBRZFWAGWGADF-XJKSGUPXSA-N 2 1 332.452 0.525 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001026893981 742039448 /nfs/dbraw/zinc/03/94/48/742039448.db2.gz SQZMFGXWWUDHGG-ZFWWWQNUSA-N 2 1 333.461 0.574 20 30 ECEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826145 742225196 /nfs/dbraw/zinc/22/51/96/742225196.db2.gz NPIUJHADHRAABH-BHEGOAEISA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826145 742225198 /nfs/dbraw/zinc/22/51/98/742225198.db2.gz NPIUJHADHRAABH-BHEGOAEISA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826145 742225204 /nfs/dbraw/zinc/22/52/04/742225204.db2.gz NPIUJHADHRAABH-BHEGOAEISA-N 2 1 331.460 0.700 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996800283 742888157 /nfs/dbraw/zinc/88/81/57/742888157.db2.gz AALPBKYLIOFBPK-GTPINHCMSA-N 2 1 333.480 0.507 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000997006394 743119847 /nfs/dbraw/zinc/11/98/47/743119847.db2.gz LXCOBIXSGDXQGI-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001029004167 743162088 /nfs/dbraw/zinc/16/20/88/743162088.db2.gz UNCXFTLVBBKWSB-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001029004167 743162094 /nfs/dbraw/zinc/16/20/94/743162094.db2.gz UNCXFTLVBBKWSB-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP CCC(=O)N1CC[C@H](NC(NC[C@]2([NH+](C)C)CCSC2)=[NH+]C)C1 ZINC000261968134 743197389 /nfs/dbraw/zinc/19/73/89/743197389.db2.gz LYPSPBCGXCCZJE-XJKSGUPXSA-N 2 1 341.525 0.600 20 30 ECEDMP C=CCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455657 751817285 /nfs/dbraw/zinc/81/72/85/751817285.db2.gz HTLYCPPOCFNNBA-BRWVUGGUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(NC[C@@H]2CN3CCN2CC3)=[NH+]C)CC1 ZINC000261623146 751845278 /nfs/dbraw/zinc/84/52/78/751845278.db2.gz CCFBNQPOSSXQCC-QGZVFWFLSA-N 2 1 334.512 0.192 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998923866 744408332 /nfs/dbraw/zinc/40/83/32/744408332.db2.gz WSXPKNMSIFRVML-GPANFISMSA-N 2 1 329.448 0.597 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998923866 744408333 /nfs/dbraw/zinc/40/83/33/744408333.db2.gz WSXPKNMSIFRVML-GPANFISMSA-N 2 1 329.448 0.597 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000999122880 744521796 /nfs/dbraw/zinc/52/17/96/744521796.db2.gz CGUHXKHITYARLV-UYSNPLJNSA-N 2 1 345.447 0.557 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999391667 744672130 /nfs/dbraw/zinc/67/21/30/744672130.db2.gz NJOKFKDWSJJXNX-AEFFLSMTSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999391667 744672131 /nfs/dbraw/zinc/67/21/31/744672131.db2.gz NJOKFKDWSJJXNX-AEFFLSMTSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999393315 744672995 /nfs/dbraw/zinc/67/29/95/744672995.db2.gz XGWJKFGBUGQXGM-RDJZCZTQSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999393315 744672997 /nfs/dbraw/zinc/67/29/97/744672997.db2.gz XGWJKFGBUGQXGM-RDJZCZTQSA-N 2 1 344.463 0.476 20 30 ECEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001167979204 744971718 /nfs/dbraw/zinc/97/17/18/744971718.db2.gz RJLBXVAMBBZGHV-HNNXBMFYSA-N 2 1 347.463 0.885 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnon3)C2)CC1 ZINC000999871767 744974952 /nfs/dbraw/zinc/97/49/52/744974952.db2.gz ZBZGLCJJPICFOY-UHFFFAOYSA-N 2 1 331.420 0.494 20 30 ECEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043827 745224415 /nfs/dbraw/zinc/22/44/15/745224415.db2.gz KJWVEXVNOBZBBJ-HOCLYGCPSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043827 745224421 /nfs/dbraw/zinc/22/44/21/745224421.db2.gz KJWVEXVNOBZBBJ-HOCLYGCPSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043827 745224425 /nfs/dbraw/zinc/22/44/25/745224425.db2.gz KJWVEXVNOBZBBJ-HOCLYGCPSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001000792402 745770679 /nfs/dbraw/zinc/77/06/79/745770679.db2.gz YIPXDZVCYKMJTF-KRWDZBQOSA-N 2 1 344.459 0.065 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001000792402 745770683 /nfs/dbraw/zinc/77/06/83/745770683.db2.gz YIPXDZVCYKMJTF-KRWDZBQOSA-N 2 1 344.459 0.065 20 30 ECEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001252672 746210997 /nfs/dbraw/zinc/21/09/97/746210997.db2.gz NPIQYOZYNTYYGA-UHFFFAOYSA-N 2 1 329.448 0.830 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000984330196 746292601 /nfs/dbraw/zinc/29/26/01/746292601.db2.gz HNUZGSDXYZLJGC-BZUAXINKSA-N 2 1 345.447 0.463 20 30 ECEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978851943 746799303 /nfs/dbraw/zinc/79/93/03/746799303.db2.gz RLHKAZVMIMGWCV-OSYLJGHBSA-N 2 1 331.464 0.928 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001003046749 748114021 /nfs/dbraw/zinc/11/40/21/748114021.db2.gz FFLSFJWXSXOPDW-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001003046749 748114024 /nfs/dbraw/zinc/11/40/24/748114024.db2.gz FFLSFJWXSXOPDW-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001003046749 748114032 /nfs/dbraw/zinc/11/40/32/748114032.db2.gz FFLSFJWXSXOPDW-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001003046749 748114036 /nfs/dbraw/zinc/11/40/36/748114036.db2.gz FFLSFJWXSXOPDW-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)Cc3cnon3)CC2)CC1 ZINC000985803612 749137807 /nfs/dbraw/zinc/13/78/07/749137807.db2.gz HHTNZPMSWHCOPC-UHFFFAOYSA-N 2 1 345.447 0.838 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914106 749586388 /nfs/dbraw/zinc/58/63/88/749586388.db2.gz QWPALEQHKCSBNJ-JKSUJKDBSA-N 2 1 345.447 0.450 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H]3CCOC3)C2)CC1 ZINC000980479889 749641951 /nfs/dbraw/zinc/64/19/51/749641951.db2.gz YYGYQSNVDCMOHJ-FUHWJXTLSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)[C@H]2C)CC1 ZINC000987573131 750974680 /nfs/dbraw/zinc/97/46/80/750974680.db2.gz YPOLCXBMTARYDF-CJNGLKHVSA-N 2 1 331.420 0.494 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nncs3)C2)CC1 ZINC001021090008 752530511 /nfs/dbraw/zinc/53/05/11/752530511.db2.gz LBQQSJYUVFEWTM-HDJSIYSDSA-N 2 1 333.461 0.620 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001021092273 752532924 /nfs/dbraw/zinc/53/29/24/752532924.db2.gz IGJLXHOOJLXJSX-SHTZXODSSA-N 2 1 331.420 0.460 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001021096359 752537091 /nfs/dbraw/zinc/53/70/91/752537091.db2.gz OUWTVPQQWXAPBD-QBPKDAKJSA-N 2 1 348.491 0.885 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465797 752756373 /nfs/dbraw/zinc/75/63/73/752756373.db2.gz MZLKGNAUMGSNTA-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465797 752756378 /nfs/dbraw/zinc/75/63/78/752756378.db2.gz MZLKGNAUMGSNTA-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465797 752756386 /nfs/dbraw/zinc/75/63/86/752756386.db2.gz MZLKGNAUMGSNTA-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465797 752756392 /nfs/dbraw/zinc/75/63/92/752756392.db2.gz MZLKGNAUMGSNTA-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001098646619 752966423 /nfs/dbraw/zinc/96/64/23/752966423.db2.gz QNMWQIGIKGYKMP-QGZVFWFLSA-N 2 1 349.475 0.424 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098683264 753694460 /nfs/dbraw/zinc/69/44/60/753694460.db2.gz VTWOPANHHVWMEE-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683264 753694465 /nfs/dbraw/zinc/69/44/65/753694465.db2.gz VTWOPANHHVWMEE-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP C[NH+]=C(NCc1cccc(OC)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261811409 754169834 /nfs/dbraw/zinc/16/98/34/754169834.db2.gz SQTMCJSIHBHDOE-HNNXBMFYSA-N 2 1 347.463 0.820 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001009624876 755083331 /nfs/dbraw/zinc/08/33/31/755083331.db2.gz BGZVFVBPULDYOM-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001009624876 755083335 /nfs/dbraw/zinc/08/33/35/755083335.db2.gz BGZVFVBPULDYOM-IRXDYDNUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667106 755600895 /nfs/dbraw/zinc/60/08/95/755600895.db2.gz OBLQBNXBQFAYAN-RWQQGDIJSA-N 2 1 335.492 0.928 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2C1 ZINC001048870018 757238508 /nfs/dbraw/zinc/23/85/08/757238508.db2.gz KZEQVVJGWAGIDO-KSZLIROESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2C1 ZINC001048870018 757238517 /nfs/dbraw/zinc/23/85/17/757238517.db2.gz KZEQVVJGWAGIDO-KSZLIROESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnoc3C)C[C@@H]2C1 ZINC001048870018 757238524 /nfs/dbraw/zinc/23/85/24/757238524.db2.gz KZEQVVJGWAGIDO-KSZLIROESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnoc3C)C[C@@H]2C1 ZINC001048870018 757238530 /nfs/dbraw/zinc/23/85/30/757238530.db2.gz KZEQVVJGWAGIDO-KSZLIROESA-N 2 1 342.443 0.971 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891021 757311795 /nfs/dbraw/zinc/31/17/95/757311795.db2.gz PXUZIZJJYCODFU-CALCHBBNSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001076917668 757590158 /nfs/dbraw/zinc/59/01/58/757590158.db2.gz QIQNPFBHDHDJDJ-RDJZCZTQSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001022220531 758440745 /nfs/dbraw/zinc/44/07/45/758440745.db2.gz INKFKMXROVCLDG-BBWFWOEESA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001022220531 758440752 /nfs/dbraw/zinc/44/07/52/758440752.db2.gz INKFKMXROVCLDG-BBWFWOEESA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001022220935 758440915 /nfs/dbraw/zinc/44/09/15/758440915.db2.gz UQMFSQJPBYRPED-YVSFHVDLSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC=C)C2=O)C1 ZINC001022220935 758440924 /nfs/dbraw/zinc/44/09/24/758440924.db2.gz UQMFSQJPBYRPED-YVSFHVDLSA-N 2 1 344.459 0.108 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001022220759 758441138 /nfs/dbraw/zinc/44/11/38/758441138.db2.gz NOEUPONRCFYVDE-GUTXKFCHSA-N 2 1 348.472 0.986 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001022220759 758441145 /nfs/dbraw/zinc/44/11/45/758441145.db2.gz NOEUPONRCFYVDE-GUTXKFCHSA-N 2 1 348.472 0.986 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996683235 758464114 /nfs/dbraw/zinc/46/41/14/758464114.db2.gz BERVCXJZHMPRJS-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996683235 758464117 /nfs/dbraw/zinc/46/41/17/758464117.db2.gz BERVCXJZHMPRJS-KRWDZBQOSA-N 2 1 329.448 0.598 20 30 ECEDMP CN(C(=O)Cn1ccnc1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047646610 759398957 /nfs/dbraw/zinc/39/89/57/759398957.db2.gz KKGQUSNOSKUSHB-IRXDYDNUSA-N 2 1 339.399 0.458 20 30 ECEDMP CN(C(=O)Cn1ccnc1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047646610 759398968 /nfs/dbraw/zinc/39/89/68/759398968.db2.gz KKGQUSNOSKUSHB-IRXDYDNUSA-N 2 1 339.399 0.458 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC(=O)NC)CC1 ZINC001049916870 759400437 /nfs/dbraw/zinc/40/04/37/759400437.db2.gz FWVWCOYCOAKXPU-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(=O)NC)CC1 ZINC001049916870 759400441 /nfs/dbraw/zinc/40/04/41/759400441.db2.gz FWVWCOYCOAKXPU-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106211066 767933286 /nfs/dbraw/zinc/93/32/86/767933286.db2.gz PNXZPTBRRYXQLZ-BZUAXINKSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050526055 760431133 /nfs/dbraw/zinc/43/11/33/760431133.db2.gz RGKWOCZJYOMZMB-IRXDYDNUSA-N 2 1 331.460 0.797 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050526938 760432415 /nfs/dbraw/zinc/43/24/15/760432415.db2.gz VSRHAZZUZCRMRM-DLBZAZTESA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046849055 763226915 /nfs/dbraw/zinc/22/69/15/763226915.db2.gz ADPMLSGVSIRRRK-QFBILLFUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046849427 763227179 /nfs/dbraw/zinc/22/71/79/763227179.db2.gz FBKJRLJXIRSXFM-IBGZPJMESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001046849427 763227184 /nfs/dbraw/zinc/22/71/84/763227184.db2.gz FBKJRLJXIRSXFM-IBGZPJMESA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001046849179 763227677 /nfs/dbraw/zinc/22/76/77/763227677.db2.gz CCQMBZQLCWUADR-QAPCUYQASA-N 2 1 334.464 0.176 20 30 ECEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017561659 768124809 /nfs/dbraw/zinc/12/48/09/768124809.db2.gz YVGHBFIANAWCJQ-IYBDPMFKSA-N 2 1 329.448 0.757 20 30 ECEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017561659 768124814 /nfs/dbraw/zinc/12/48/14/768124814.db2.gz YVGHBFIANAWCJQ-IYBDPMFKSA-N 2 1 329.448 0.757 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001051932009 763371512 /nfs/dbraw/zinc/37/15/12/763371512.db2.gz KGGDEGRYNSKQCB-KBPBESRZSA-N 2 1 348.472 0.888 20 30 ECEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@@H+]1C ZINC001052031247 763632703 /nfs/dbraw/zinc/63/27/03/763632703.db2.gz IBJLGMAXIKNASR-YESZJQIVSA-N 2 1 333.480 0.459 20 30 ECEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052031247 763632708 /nfs/dbraw/zinc/63/27/08/763632708.db2.gz IBJLGMAXIKNASR-YESZJQIVSA-N 2 1 333.480 0.459 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052035379 763641701 /nfs/dbraw/zinc/64/17/01/763641701.db2.gz BPCYYWNYHNHMCK-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068659 763762675 /nfs/dbraw/zinc/76/26/75/763762675.db2.gz MBAUWIQWTDMABE-OALUTQOASA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068659 763762683 /nfs/dbraw/zinc/76/26/83/763762683.db2.gz MBAUWIQWTDMABE-OALUTQOASA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106340114 768165292 /nfs/dbraw/zinc/16/52/92/768165292.db2.gz MBQNXUNUIVASAK-HUUCEWRRSA-N 2 1 336.480 0.150 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604113 763817694 /nfs/dbraw/zinc/81/76/94/763817694.db2.gz TUGMHVDUGWZGLZ-MJGOQNOKSA-N 2 1 344.503 0.855 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604113 763817698 /nfs/dbraw/zinc/81/76/98/763817698.db2.gz TUGMHVDUGWZGLZ-MJGOQNOKSA-N 2 1 344.503 0.855 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986378 764249144 /nfs/dbraw/zinc/24/91/44/764249144.db2.gz MNKNOLDXZMKKOA-UKRRQHHQSA-N 2 1 333.436 0.178 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528680 764604718 /nfs/dbraw/zinc/60/47/18/764604718.db2.gz XNJSBMSVHUOQLU-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528680 764604722 /nfs/dbraw/zinc/60/47/22/764604722.db2.gz XNJSBMSVHUOQLU-XIRDDKMYSA-N 2 1 332.448 0.834 20 30 ECEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453733 768323255 /nfs/dbraw/zinc/32/32/55/768323255.db2.gz UJZYYVBJZXTETH-LDBBTLTOSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000992402380 766489514 /nfs/dbraw/zinc/48/95/14/766489514.db2.gz WYPNRVFTWMAHEQ-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000992402380 766489517 /nfs/dbraw/zinc/48/95/17/766489517.db2.gz WYPNRVFTWMAHEQ-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000992402380 766489522 /nfs/dbraw/zinc/48/95/22/766489522.db2.gz WYPNRVFTWMAHEQ-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000992402380 766489526 /nfs/dbraw/zinc/48/95/26/766489526.db2.gz WYPNRVFTWMAHEQ-BBWFWOEESA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](C[C@H](C)O)C3)O2)CC1 ZINC001053699879 766618555 /nfs/dbraw/zinc/61/85/55/766618555.db2.gz KFFMGFNUBDFZHS-RDJZCZTQSA-N 2 1 349.475 0.062 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032160 766703880 /nfs/dbraw/zinc/70/38/80/766703880.db2.gz FDAHZVQDWFRVCH-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046032160 766703887 /nfs/dbraw/zinc/70/38/87/766703887.db2.gz FDAHZVQDWFRVCH-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046032160 766703892 /nfs/dbraw/zinc/70/38/92/766703892.db2.gz FDAHZVQDWFRVCH-KZNAEPCWSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046033117 766708897 /nfs/dbraw/zinc/70/88/97/766708897.db2.gz RWEBPELZODXJAS-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033117 766708899 /nfs/dbraw/zinc/70/88/99/766708899.db2.gz RWEBPELZODXJAS-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046033117 766708901 /nfs/dbraw/zinc/70/89/01/766708901.db2.gz RWEBPELZODXJAS-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035102 766717886 /nfs/dbraw/zinc/71/78/86/766717886.db2.gz DLQJQUQVQZWZPJ-MSOLQXFVSA-N 2 1 332.492 0.568 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039113 766740691 /nfs/dbraw/zinc/74/06/91/766740691.db2.gz SBEFOFYFYMLBHV-IXDOHACOSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039113 766740696 /nfs/dbraw/zinc/74/06/96/766740696.db2.gz SBEFOFYFYMLBHV-IXDOHACOSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039113 766740697 /nfs/dbraw/zinc/74/06/97/766740697.db2.gz SBEFOFYFYMLBHV-IXDOHACOSA-N 2 1 336.480 0.110 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039113 766740701 /nfs/dbraw/zinc/74/07/01/766740701.db2.gz SBEFOFYFYMLBHV-IXDOHACOSA-N 2 1 336.480 0.110 20 30 ECEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741451 766829636 /nfs/dbraw/zinc/82/96/36/766829636.db2.gz XABQLGOFBCYVAE-BHEGOAEISA-N 2 1 329.444 0.454 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064843 766845959 /nfs/dbraw/zinc/84/59/59/766845959.db2.gz WHSVYYYWWIEWDE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064843 766845969 /nfs/dbraw/zinc/84/59/69/766845969.db2.gz WHSVYYYWWIEWDE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064843 766845979 /nfs/dbraw/zinc/84/59/79/766845979.db2.gz WHSVYYYWWIEWDE-ZWKOTPCHSA-N 2 1 332.492 0.713 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055546074 769081815 /nfs/dbraw/zinc/08/18/15/769081815.db2.gz XBVYROLPFSTMBJ-KRWDZBQOSA-N 2 1 348.491 0.437 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055546074 769081820 /nfs/dbraw/zinc/08/18/20/769081820.db2.gz XBVYROLPFSTMBJ-KRWDZBQOSA-N 2 1 348.491 0.437 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055573808 769155679 /nfs/dbraw/zinc/15/56/79/769155679.db2.gz IWBLOYKEVSGKPJ-QGZVFWFLSA-N 2 1 346.475 0.191 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001055589706 769194867 /nfs/dbraw/zinc/19/48/67/769194867.db2.gz MSBPPFMMBWFKQN-UHFFFAOYSA-N 2 1 338.496 0.990 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001055630955 769301248 /nfs/dbraw/zinc/30/12/48/769301248.db2.gz AVYCNIXRYWODFO-LSDHHAIUSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055632327 769306607 /nfs/dbraw/zinc/30/66/07/769306607.db2.gz SAJNCSQCCAEBBO-CABCVRRESA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001018985757 770483948 /nfs/dbraw/zinc/48/39/48/770483948.db2.gz CZIRRDGEMIQNMA-ZFWWWQNUSA-N 2 1 348.472 0.940 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001018985757 770483954 /nfs/dbraw/zinc/48/39/54/770483954.db2.gz CZIRRDGEMIQNMA-ZFWWWQNUSA-N 2 1 348.472 0.940 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001020250523 772350778 /nfs/dbraw/zinc/35/07/78/772350778.db2.gz HJGXZVZZOOIHLT-JYJNAYRXSA-N 2 1 344.463 0.441 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001020250523 772350785 /nfs/dbraw/zinc/35/07/85/772350785.db2.gz HJGXZVZZOOIHLT-JYJNAYRXSA-N 2 1 344.463 0.441 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnnn1CC ZINC001045074047 774936963 /nfs/dbraw/zinc/93/69/63/774936963.db2.gz WARHASGKIOLECO-RDJZCZTQSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnnn1CC ZINC001045074047 774936967 /nfs/dbraw/zinc/93/69/67/774936967.db2.gz WARHASGKIOLECO-RDJZCZTQSA-N 2 1 344.463 0.476 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080008992 777221433 /nfs/dbraw/zinc/22/14/33/777221433.db2.gz LDYYBSZEONXCJT-INIZCTEOSA-N 2 1 334.464 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080008992 777221436 /nfs/dbraw/zinc/22/14/36/777221436.db2.gz LDYYBSZEONXCJT-INIZCTEOSA-N 2 1 334.464 0.095 20 30 ECEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489217 781618919 /nfs/dbraw/zinc/61/89/19/781618919.db2.gz QKULWBRFVYRMSE-DPCKTDSQSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489217 781618923 /nfs/dbraw/zinc/61/89/23/781618923.db2.gz QKULWBRFVYRMSE-DPCKTDSQSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489217 781618925 /nfs/dbraw/zinc/61/89/25/781618925.db2.gz QKULWBRFVYRMSE-DPCKTDSQSA-N 2 1 331.460 0.960 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001070974977 784287287 /nfs/dbraw/zinc/28/72/87/784287287.db2.gz AJKJRLKWOIYMHA-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070974977 784287293 /nfs/dbraw/zinc/28/72/93/784287293.db2.gz AJKJRLKWOIYMHA-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001070974977 784287298 /nfs/dbraw/zinc/28/72/98/784287298.db2.gz AJKJRLKWOIYMHA-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001070974977 784287303 /nfs/dbraw/zinc/28/73/03/784287303.db2.gz AJKJRLKWOIYMHA-INIZCTEOSA-N 2 1 336.480 0.697 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001071094319 784537187 /nfs/dbraw/zinc/53/71/87/784537187.db2.gz AIVTYEXTZMUUDZ-MJGOQNOKSA-N 2 1 349.475 0.328 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001071105219 784543149 /nfs/dbraw/zinc/54/31/49/784543149.db2.gz KHWLGUSMQAOUTH-SQNIBIBYSA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001071105219 784543151 /nfs/dbraw/zinc/54/31/51/784543151.db2.gz KHWLGUSMQAOUTH-SQNIBIBYSA-N 2 1 349.475 0.326 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689914 784556842 /nfs/dbraw/zinc/55/68/42/784556842.db2.gz WXOIUDVINBTPMX-ARFHVFGLSA-N 2 1 329.448 0.279 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071225680 784783384 /nfs/dbraw/zinc/78/33/84/784783384.db2.gz NUDIITXRIWCNRS-LPHOPBHVSA-N 2 1 349.475 0.422 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700511 787000662 /nfs/dbraw/zinc/00/06/62/787000662.db2.gz OGMSMPDVMMTZOI-ISXWCOSWSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700511 787000670 /nfs/dbraw/zinc/00/06/70/787000670.db2.gz OGMSMPDVMMTZOI-ISXWCOSWSA-N 2 1 347.459 0.080 20 30 ECEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700511 787000679 /nfs/dbraw/zinc/00/06/79/787000679.db2.gz OGMSMPDVMMTZOI-ISXWCOSWSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709874 787019190 /nfs/dbraw/zinc/01/91/90/787019190.db2.gz KRLXDWKZPLKSJE-VZDIDWBNSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709874 787019199 /nfs/dbraw/zinc/01/91/99/787019199.db2.gz KRLXDWKZPLKSJE-VZDIDWBNSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709874 787019206 /nfs/dbraw/zinc/01/92/06/787019206.db2.gz KRLXDWKZPLKSJE-VZDIDWBNSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361876 835772033 /nfs/dbraw/zinc/77/20/33/835772033.db2.gz UEYGQOBAVLOUPL-WBVHZDCISA-N 2 1 346.475 0.213 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361876 835772040 /nfs/dbraw/zinc/77/20/40/835772040.db2.gz UEYGQOBAVLOUPL-WBVHZDCISA-N 2 1 346.475 0.213 20 30 ECEDMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528402 835945025 /nfs/dbraw/zinc/94/50/25/835945025.db2.gz PAKOPNIKZLHRKN-CVEARBPZSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266528402 835945029 /nfs/dbraw/zinc/94/50/29/835945029.db2.gz PAKOPNIKZLHRKN-CVEARBPZSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266528402 835945031 /nfs/dbraw/zinc/94/50/31/835945031.db2.gz PAKOPNIKZLHRKN-CVEARBPZSA-N 2 1 349.479 0.186 20 30 ECEDMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266528402 835945034 /nfs/dbraw/zinc/94/50/34/835945034.db2.gz PAKOPNIKZLHRKN-CVEARBPZSA-N 2 1 349.479 0.186 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001266767418 836273803 /nfs/dbraw/zinc/27/38/03/836273803.db2.gz NAJBUIGBWSVLPH-HOTGVXAUSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767418 836273809 /nfs/dbraw/zinc/27/38/09/836273809.db2.gz NAJBUIGBWSVLPH-HOTGVXAUSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001266767418 836273822 /nfs/dbraw/zinc/27/38/22/836273822.db2.gz NAJBUIGBWSVLPH-HOTGVXAUSA-N 2 1 336.480 0.294 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267017142 836627890 /nfs/dbraw/zinc/62/78/90/836627890.db2.gz TTWNYGHXEHWJTO-CVEARBPZSA-N 2 1 334.464 0.048 20 30 ECEDMP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001267062010 836701899 /nfs/dbraw/zinc/70/18/99/836701899.db2.gz QTTWVWOQJDJENU-AWEZNQCLSA-N 2 1 346.435 0.084 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267241611 837050581 /nfs/dbraw/zinc/05/05/81/837050581.db2.gz DISIJORSUBORGW-OWCLPIDISA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267241611 837050590 /nfs/dbraw/zinc/05/05/90/837050590.db2.gz DISIJORSUBORGW-OWCLPIDISA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267241611 837050602 /nfs/dbraw/zinc/05/06/02/837050602.db2.gz DISIJORSUBORGW-OWCLPIDISA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267241611 837050613 /nfs/dbraw/zinc/05/06/13/837050613.db2.gz DISIJORSUBORGW-OWCLPIDISA-N 2 1 336.480 0.293 20 30 ECEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC#CCOC ZINC001267268670 837105715 /nfs/dbraw/zinc/10/57/15/837105715.db2.gz CWCQIFGTNHVZNV-CVEARBPZSA-N 2 1 327.444 0.897 20 30 ECEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@H+]1CC#CCOC ZINC001267268670 837105720 /nfs/dbraw/zinc/10/57/20/837105720.db2.gz CWCQIFGTNHVZNV-CVEARBPZSA-N 2 1 327.444 0.897 20 30 ECEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001268034875 839094526 /nfs/dbraw/zinc/09/45/26/839094526.db2.gz QQYBYLMSOOWDIK-MRXNPFEDSA-N 2 1 348.491 0.629 20 30 ECEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179087742 275733674 /nfs/dbraw/zinc/73/36/74/275733674.db2.gz IMYIAEJHWWQNOI-INIZCTEOSA-N 2 1 348.495 0.766 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000330804147 437619768 /nfs/dbraw/zinc/61/97/68/437619768.db2.gz KZRORNOUROHZME-AWEZNQCLSA-N 2 1 339.484 0.384 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000330804147 437619773 /nfs/dbraw/zinc/61/97/73/437619773.db2.gz KZRORNOUROHZME-AWEZNQCLSA-N 2 1 339.484 0.384 20 30 ECEDMP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000261818790 436890746 /nfs/dbraw/zinc/89/07/46/436890746.db2.gz UFIRDRRBYPEYKG-CQSZACIVSA-N 2 1 338.525 0.713 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000170909856 436959673 /nfs/dbraw/zinc/95/96/73/436959673.db2.gz PBXVBALINDSADY-UHFFFAOYSA-N 2 1 335.408 0.764 20 30 ECEDMP CCNC(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264090010 437016659 /nfs/dbraw/zinc/01/66/59/437016659.db2.gz KRXSJPNFQJCEJD-UHFFFAOYSA-N 2 1 347.463 0.563 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(-n2ccnc2)nc1 ZINC000303779314 437156424 /nfs/dbraw/zinc/15/64/24/437156424.db2.gz KIXVQQHKGLZRLT-UHFFFAOYSA-N 2 1 343.435 0.394 20 30 ECEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000267396514 437327057 /nfs/dbraw/zinc/32/70/57/437327057.db2.gz FAQMFNPVBDAPHR-OAHLLOKOSA-N 2 1 331.468 0.788 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000330139114 437458715 /nfs/dbraw/zinc/45/87/15/437458715.db2.gz OSFSRLCDFNISNU-GOEBONIOSA-N 2 1 349.479 0.376 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000330139114 437458717 /nfs/dbraw/zinc/45/87/17/437458717.db2.gz OSFSRLCDFNISNU-GOEBONIOSA-N 2 1 349.479 0.376 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000330139114 437458719 /nfs/dbraw/zinc/45/87/19/437458719.db2.gz OSFSRLCDFNISNU-GOEBONIOSA-N 2 1 349.479 0.376 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000343778339 437655919 /nfs/dbraw/zinc/65/59/19/437655919.db2.gz KGJOBBSSQXQCIQ-LSDHHAIUSA-N 2 1 336.480 0.694 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000343778339 437655923 /nfs/dbraw/zinc/65/59/23/437655923.db2.gz KGJOBBSSQXQCIQ-LSDHHAIUSA-N 2 1 336.480 0.694 20 30 ECEDMP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971801 /nfs/dbraw/zinc/97/18/01/437971801.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971803 /nfs/dbraw/zinc/97/18/03/437971803.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 2 1 336.432 0.757 20 30 ECEDMP COC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000342117362 437971810 /nfs/dbraw/zinc/97/18/10/437971810.db2.gz AVFNSJMAVGQGFM-SYMSYNOKSA-N 2 1 336.432 0.757 20 30 ECEDMP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595959470 438899975 /nfs/dbraw/zinc/89/99/75/438899975.db2.gz FCPACPSFQOMPRP-IAGOWNOFSA-N 2 1 330.432 0.891 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000491667513 439424375 /nfs/dbraw/zinc/42/43/75/439424375.db2.gz RNELZQMRJFDESJ-UHFFFAOYSA-N 2 1 330.432 0.806 20 30 ECEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437924 439559602 /nfs/dbraw/zinc/55/96/02/439559602.db2.gz LNXXOFFWVBKSBW-CABCVRRESA-N 2 1 337.468 0.457 20 30 ECEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000729683423 578297809 /nfs/dbraw/zinc/29/78/09/578297809.db2.gz OSRIYWWDHPOWEW-UHFFFAOYSA-N 2 1 327.436 0.718 20 30 ECEDMP C=C1[C@H](C(=O)NCC[NH+](C)C2CC2)[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000900367297 586627675 /nfs/dbraw/zinc/62/76/75/586627675.db2.gz NBIWQQXZQNJFJM-HOTGVXAUSA-N 2 1 334.464 0.209 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852827808 589515589 /nfs/dbraw/zinc/51/55/89/589515589.db2.gz PYJYFWOOLRJXRG-POYBYMJQSA-N 2 1 341.234 0.955 20 30 ECEDMP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000852903323 589523944 /nfs/dbraw/zinc/52/39/44/589523944.db2.gz ZAXKPKFHUPEFLG-LJQANCHMSA-N 2 1 341.455 0.872 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C1=O ZINC000863549740 590022220 /nfs/dbraw/zinc/02/22/20/590022220.db2.gz QJYHYKGAMCTSOI-KFWWJZLASA-N 2 1 334.420 0.030 20 30 ECEDMP C#CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1)C1CC[NH+](C)CC1 ZINC000886572669 590859720 /nfs/dbraw/zinc/85/97/20/590859720.db2.gz WAAWRFJOLXXCTF-MRXNPFEDSA-N 2 1 349.475 0.818 20 30 ECEDMP C#CCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1)C1CC[NH+](C)CC1 ZINC000886572669 590859722 /nfs/dbraw/zinc/85/97/22/590859722.db2.gz WAAWRFJOLXXCTF-MRXNPFEDSA-N 2 1 349.475 0.818 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361547 591150389 /nfs/dbraw/zinc/15/03/89/591150389.db2.gz UIMSUZGLYIKSMS-NVXWUHKLSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361547 591150391 /nfs/dbraw/zinc/15/03/91/591150391.db2.gz UIMSUZGLYIKSMS-NVXWUHKLSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361547 591150392 /nfs/dbraw/zinc/15/03/92/591150392.db2.gz UIMSUZGLYIKSMS-NVXWUHKLSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361547 591150394 /nfs/dbraw/zinc/15/03/94/591150394.db2.gz UIMSUZGLYIKSMS-NVXWUHKLSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000890361417 591150888 /nfs/dbraw/zinc/15/08/88/591150888.db2.gz QFXNFNYVDOBIPG-KURKYZTESA-N 3 1 349.523 0.465 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000890361417 591150891 /nfs/dbraw/zinc/15/08/91/591150891.db2.gz QFXNFNYVDOBIPG-KURKYZTESA-N 3 1 349.523 0.465 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000890361549 591150980 /nfs/dbraw/zinc/15/09/80/591150980.db2.gz UIMSUZGLYIKSMS-WBVHZDCISA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000890361549 591150982 /nfs/dbraw/zinc/15/09/82/591150982.db2.gz UIMSUZGLYIKSMS-WBVHZDCISA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000890361549 591150984 /nfs/dbraw/zinc/15/09/84/591150984.db2.gz UIMSUZGLYIKSMS-WBVHZDCISA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000890361549 591150986 /nfs/dbraw/zinc/15/09/86/591150986.db2.gz UIMSUZGLYIKSMS-WBVHZDCISA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628587 611373827 /nfs/dbraw/zinc/37/38/27/611373827.db2.gz ZICFYMBMSFZOAH-NCOADZHNSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628587 611373831 /nfs/dbraw/zinc/37/38/31/611373831.db2.gz ZICFYMBMSFZOAH-NCOADZHNSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628587 611373836 /nfs/dbraw/zinc/37/38/36/611373836.db2.gz ZICFYMBMSFZOAH-NCOADZHNSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+]([C@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628587 611373841 /nfs/dbraw/zinc/37/38/41/611373841.db2.gz ZICFYMBMSFZOAH-NCOADZHNSA-N 2 1 346.475 0.128 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000928433084 611687793 /nfs/dbraw/zinc/68/77/93/611687793.db2.gz SJIVBYQSEWONHX-FGZZBPHYSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928433084 611687796 /nfs/dbraw/zinc/68/77/96/611687796.db2.gz SJIVBYQSEWONHX-FGZZBPHYSA-N 2 1 334.464 0.206 20 30 ECEDMP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928433084 611687798 /nfs/dbraw/zinc/68/77/98/611687798.db2.gz SJIVBYQSEWONHX-FGZZBPHYSA-N 2 1 334.464 0.206 20 30 ECEDMP C#CCN1CCC(NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000921437410 609716722 /nfs/dbraw/zinc/71/67/22/609716722.db2.gz WWBRCSRTHMFIGJ-INIZCTEOSA-N 2 1 325.478 0.489 20 30 ECEDMP C#CC[NH+]1CCC(NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000921437410 609716725 /nfs/dbraw/zinc/71/67/25/609716725.db2.gz WWBRCSRTHMFIGJ-INIZCTEOSA-N 2 1 325.478 0.489 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCC)C2)CC1 ZINC000941440840 610316602 /nfs/dbraw/zinc/31/66/02/610316602.db2.gz UNLFBGRFGZWZOS-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCC)C2)CC1 ZINC000941440840 610316603 /nfs/dbraw/zinc/31/66/03/610316603.db2.gz UNLFBGRFGZWZOS-SFHVURJKSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943517086 610881982 /nfs/dbraw/zinc/88/19/82/610881982.db2.gz OFMXWNKKVYOVIR-DOTOQJQBSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000944028180 611089510 /nfs/dbraw/zinc/08/95/10/611089510.db2.gz DQACONIZLNDIJN-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000944028180 611089513 /nfs/dbraw/zinc/08/95/13/611089513.db2.gz DQACONIZLNDIJN-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000944028180 611089516 /nfs/dbraw/zinc/08/95/16/611089516.db2.gz DQACONIZLNDIJN-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000944028180 611089518 /nfs/dbraw/zinc/08/95/18/611089518.db2.gz DQACONIZLNDIJN-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC000944028180 611089519 /nfs/dbraw/zinc/08/95/19/611089519.db2.gz DQACONIZLNDIJN-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC)[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC ZINC000922155648 611340521 /nfs/dbraw/zinc/34/05/21/611340521.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC)[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922155648 611340523 /nfs/dbraw/zinc/34/05/23/611340523.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC)[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922155648 611340525 /nfs/dbraw/zinc/34/05/25/611340525.db2.gz DJMZTHMJRIANQU-YHUYYLMFSA-N 2 1 334.464 0.209 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC000950755971 611891742 /nfs/dbraw/zinc/89/17/42/611891742.db2.gz YXJJPWPZHNOURL-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC000950755971 611891744 /nfs/dbraw/zinc/89/17/44/611891744.db2.gz YXJJPWPZHNOURL-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC000949212800 611902435 /nfs/dbraw/zinc/90/24/35/611902435.db2.gz NWRXJIGXOVBTSI-UHFFFAOYSA-N 2 1 349.475 0.425 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000951223843 612089123 /nfs/dbraw/zinc/08/91/23/612089123.db2.gz RBLLRLXMABMWQF-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000951223843 612089126 /nfs/dbraw/zinc/08/91/26/612089126.db2.gz RBLLRLXMABMWQF-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951223843 612089129 /nfs/dbraw/zinc/08/91/29/612089129.db2.gz RBLLRLXMABMWQF-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000951223843 612089132 /nfs/dbraw/zinc/08/91/32/612089132.db2.gz RBLLRLXMABMWQF-BBWFWOEESA-N 2 1 346.475 0.285 20 30 ECEDMP COCC#CC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561871 735542767 /nfs/dbraw/zinc/54/27/67/735542767.db2.gz OQTHEEOJNAEEES-UHFFFAOYSA-N 2 1 348.447 0.127 20 30 ECEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561871 735542772 /nfs/dbraw/zinc/54/27/72/735542772.db2.gz OQTHEEOJNAEEES-UHFFFAOYSA-N 2 1 348.447 0.127 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC(N)=O)CC1 ZINC000969155947 731536198 /nfs/dbraw/zinc/53/61/98/731536198.db2.gz FVNAQCKJRPZWRU-MRXNPFEDSA-N 2 1 334.464 0.178 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(N)=O)CC1 ZINC000969155947 731536200 /nfs/dbraw/zinc/53/62/00/731536200.db2.gz FVNAQCKJRPZWRU-MRXNPFEDSA-N 2 1 334.464 0.178 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000969356332 731754403 /nfs/dbraw/zinc/75/44/03/731754403.db2.gz CWURBKPKYAHOJW-CABCVRRESA-N 2 1 331.420 0.169 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000970366123 733424914 /nfs/dbraw/zinc/42/49/14/733424914.db2.gz JFXGFPYUORLWMF-WMLDXEAASA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001006398837 751349599 /nfs/dbraw/zinc/34/95/99/751349599.db2.gz GDYVHBVTFFBHOB-WBVHZDCISA-N 2 1 348.491 0.648 20 30 ECEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566802 735858962 /nfs/dbraw/zinc/85/89/62/735858962.db2.gz PCPSRKBAMVWPGV-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566802 735858965 /nfs/dbraw/zinc/85/89/65/735858965.db2.gz PCPSRKBAMVWPGV-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566802 735858967 /nfs/dbraw/zinc/85/89/67/735858967.db2.gz PCPSRKBAMVWPGV-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566802 735858970 /nfs/dbraw/zinc/85/89/70/735858970.db2.gz PCPSRKBAMVWPGV-KRWDZBQOSA-N 2 1 337.464 0.016 20 30 ECEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433650 736194460 /nfs/dbraw/zinc/19/44/60/736194460.db2.gz PTVUDKJPWCSVRE-QUJXQBBWSA-N 2 1 345.487 0.947 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001022975452 736346178 /nfs/dbraw/zinc/34/61/78/736346178.db2.gz LXXPOQYDXBPKGS-CAOSSQGBSA-N 2 1 334.464 0.352 20 30 ECEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2ncccn2)CC1 ZINC000262584846 737293747 /nfs/dbraw/zinc/29/37/47/737293747.db2.gz RZWWWUKIHSCATJ-UHFFFAOYSA-N 2 1 342.451 0.769 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001023761919 737326500 /nfs/dbraw/zinc/32/65/00/737326500.db2.gz MQCSYELHCRKSGI-DOTOQJQBSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001023762484 737327294 /nfs/dbraw/zinc/32/72/94/737327294.db2.gz XYNDIGQTHYKZOA-MRXNPFEDSA-N 2 1 348.491 0.248 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908159 740901159 /nfs/dbraw/zinc/90/11/59/740901159.db2.gz LWKVAYKRXZLCIV-IXDOHACOSA-N 2 1 348.491 0.152 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000974147744 741007179 /nfs/dbraw/zinc/00/71/79/741007179.db2.gz LXULVWVTMGBVPO-ZACQAIPSSA-N 2 1 346.475 0.047 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001105292119 741655745 /nfs/dbraw/zinc/65/57/45/741655745.db2.gz ABBIMICZBAQBSP-KRWDZBQOSA-N 2 1 344.463 0.811 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327127 741811935 /nfs/dbraw/zinc/81/19/35/741811935.db2.gz TWUWLHPAPFNBFM-PBHICJAKSA-N 2 1 346.479 0.915 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327167 741812891 /nfs/dbraw/zinc/81/28/91/741812891.db2.gz UTBRZFWAGWGADF-CJNGLKHVSA-N 2 1 332.452 0.525 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327167 741812894 /nfs/dbraw/zinc/81/28/94/741812894.db2.gz UTBRZFWAGWGADF-CJNGLKHVSA-N 2 1 332.452 0.525 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC001026889504 742029654 /nfs/dbraw/zinc/02/96/54/742029654.db2.gz XKGKSMNPLQDQKM-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001026894203 742040120 /nfs/dbraw/zinc/04/01/20/742040120.db2.gz XMOWCGMFZXZUTM-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001026894203 742040126 /nfs/dbraw/zinc/04/01/26/742040126.db2.gz XMOWCGMFZXZUTM-AEFFLSMTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822458 742217635 /nfs/dbraw/zinc/21/76/35/742217635.db2.gz BEDVOELXCIGFPA-IOSXPMGOSA-N 2 1 331.460 0.700 20 30 ECEDMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261967898 743197135 /nfs/dbraw/zinc/19/71/35/743197135.db2.gz LXQTWENIVORGAH-SFHVURJKSA-N 2 1 337.512 0.702 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000997150048 743289154 /nfs/dbraw/zinc/28/91/54/743289154.db2.gz UCTVPRQTRFMJMH-OIISXLGYSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000997150048 743289160 /nfs/dbraw/zinc/28/91/60/743289160.db2.gz UCTVPRQTRFMJMH-OIISXLGYSA-N 2 1 348.491 0.565 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000997611738 743708443 /nfs/dbraw/zinc/70/84/43/743708443.db2.gz GOKSEBYDXVPZDB-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000997830833 743842395 /nfs/dbraw/zinc/84/23/95/743842395.db2.gz BSJBLEMTOISRTA-KRWDZBQOSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000997830833 743842399 /nfs/dbraw/zinc/84/23/99/743842399.db2.gz BSJBLEMTOISRTA-KRWDZBQOSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000998357483 744130603 /nfs/dbraw/zinc/13/06/03/744130603.db2.gz BFMOZZRXFVFVQH-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000998357483 744130604 /nfs/dbraw/zinc/13/06/04/744130604.db2.gz BFMOZZRXFVFVQH-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985387 745138526 /nfs/dbraw/zinc/13/85/26/745138526.db2.gz BNCQYBXLFUKDNB-VNQPRFMTSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985387 745138529 /nfs/dbraw/zinc/13/85/29/745138529.db2.gz BNCQYBXLFUKDNB-VNQPRFMTSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985387 745138532 /nfs/dbraw/zinc/13/85/32/745138532.db2.gz BNCQYBXLFUKDNB-VNQPRFMTSA-N 2 1 332.452 0.667 20 30 ECEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995250 745154737 /nfs/dbraw/zinc/15/47/37/745154737.db2.gz FUGBOXWKRQLYGX-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995250 745154740 /nfs/dbraw/zinc/15/47/40/745154740.db2.gz FUGBOXWKRQLYGX-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995250 745154746 /nfs/dbraw/zinc/15/47/46/745154746.db2.gz FUGBOXWKRQLYGX-HOTGVXAUSA-N 2 1 330.436 0.259 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002740 745166855 /nfs/dbraw/zinc/16/68/55/745166855.db2.gz LWCOWGDFRLXKLL-INIZCTEOSA-N 2 1 344.463 0.956 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035965 745212659 /nfs/dbraw/zinc/21/26/59/745212659.db2.gz RPBZDWBJRVQURW-MRXNPFEDSA-N 2 1 344.463 0.813 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041340 745220430 /nfs/dbraw/zinc/22/04/30/745220430.db2.gz ANDKXVSLHMZRDJ-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041340 745220435 /nfs/dbraw/zinc/22/04/35/745220435.db2.gz ANDKXVSLHMZRDJ-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041340 745220440 /nfs/dbraw/zinc/22/04/40/745220440.db2.gz ANDKXVSLHMZRDJ-HOCLYGCPSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658897 745351961 /nfs/dbraw/zinc/35/19/61/745351961.db2.gz VPEMXWOAVYEVJY-JKSUJKDBSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)CC2(C)C)CC1 ZINC000977658897 745351965 /nfs/dbraw/zinc/35/19/65/745351965.db2.gz VPEMXWOAVYEVJY-JKSUJKDBSA-N 2 1 348.491 0.422 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnns2)C1 ZINC000983902576 745480546 /nfs/dbraw/zinc/48/05/46/745480546.db2.gz UXCOJEVJKGMQBO-YDHLFZDLSA-N 2 1 333.461 0.620 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnns2)C1 ZINC000983902576 745480548 /nfs/dbraw/zinc/48/05/48/745480548.db2.gz UXCOJEVJKGMQBO-YDHLFZDLSA-N 2 1 333.461 0.620 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001000520488 745562906 /nfs/dbraw/zinc/56/29/06/745562906.db2.gz FKZGEMBYEODQHV-SJORKVTESA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520488 745562909 /nfs/dbraw/zinc/56/29/09/745562909.db2.gz FKZGEMBYEODQHV-SJORKVTESA-N 2 1 346.475 0.616 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC001000520488 745562913 /nfs/dbraw/zinc/56/29/13/745562913.db2.gz FKZGEMBYEODQHV-SJORKVTESA-N 2 1 346.475 0.616 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H]2CCOC2)CC1 ZINC001000787948 745763569 /nfs/dbraw/zinc/76/35/69/745763569.db2.gz LMZVUAXLCVPZCB-ROUUACIJSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001000787948 745763573 /nfs/dbraw/zinc/76/35/73/745763573.db2.gz LMZVUAXLCVPZCB-ROUUACIJSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001000787948 745763580 /nfs/dbraw/zinc/76/35/80/745763580.db2.gz LMZVUAXLCVPZCB-ROUUACIJSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001000787948 745763586 /nfs/dbraw/zinc/76/35/86/745763586.db2.gz LMZVUAXLCVPZCB-ROUUACIJSA-N 2 1 331.460 0.869 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001000993044 745957952 /nfs/dbraw/zinc/95/79/52/745957952.db2.gz PQUXYYHUOHMCIS-KRWDZBQOSA-N 2 1 341.459 0.902 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978255050 746125060 /nfs/dbraw/zinc/12/50/60/746125060.db2.gz LKHDHJQCWJMUOV-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978255050 746125062 /nfs/dbraw/zinc/12/50/62/746125062.db2.gz LKHDHJQCWJMUOV-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[C@@H]2C1 ZINC000978255050 746125068 /nfs/dbraw/zinc/12/50/68/746125068.db2.gz LKHDHJQCWJMUOV-OKYOBFRVSA-N 2 1 345.487 0.947 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567336 746430419 /nfs/dbraw/zinc/43/04/19/746430419.db2.gz YQMILBIBLAYREN-PIMZTRDMSA-N 2 1 329.444 0.167 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567336 746430423 /nfs/dbraw/zinc/43/04/23/746430423.db2.gz YQMILBIBLAYREN-PIMZTRDMSA-N 2 1 329.444 0.167 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978567336 746430426 /nfs/dbraw/zinc/43/04/26/746430426.db2.gz YQMILBIBLAYREN-PIMZTRDMSA-N 2 1 329.444 0.167 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969616 746763207 /nfs/dbraw/zinc/76/32/07/746763207.db2.gz FDRFRGWVZCOJIO-SJORKVTESA-N 2 1 343.475 0.862 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342575 747582668 /nfs/dbraw/zinc/58/26/68/747582668.db2.gz LLNXCTJVACPQBU-RDJZCZTQSA-N 2 1 344.463 0.954 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342575 747582677 /nfs/dbraw/zinc/58/26/77/747582677.db2.gz LLNXCTJVACPQBU-RDJZCZTQSA-N 2 1 344.463 0.954 20 30 ECEDMP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001088239714 747935435 /nfs/dbraw/zinc/93/54/35/747935435.db2.gz DVBMWPHVCPOWGX-QZTJIDSGSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239714 747935439 /nfs/dbraw/zinc/93/54/39/747935439.db2.gz DVBMWPHVCPOWGX-QZTJIDSGSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001088239714 747935446 /nfs/dbraw/zinc/93/54/46/747935446.db2.gz DVBMWPHVCPOWGX-QZTJIDSGSA-N 2 1 333.476 0.901 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC001003157555 748241425 /nfs/dbraw/zinc/24/14/25/748241425.db2.gz AYBPWHWTCCEIMJ-SJORKVTESA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475444 752281812 /nfs/dbraw/zinc/28/18/12/752281812.db2.gz MWPSZHAIFCUPMV-QRQLOZEOSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475444 752281817 /nfs/dbraw/zinc/28/18/17/752281817.db2.gz MWPSZHAIFCUPMV-QRQLOZEOSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475444 752281848 /nfs/dbraw/zinc/28/18/48/752281848.db2.gz MWPSZHAIFCUPMV-QRQLOZEOSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@]2(C)C1 ZINC000982475444 752281849 /nfs/dbraw/zinc/28/18/49/752281849.db2.gz MWPSZHAIFCUPMV-QRQLOZEOSA-N 2 1 333.476 0.899 20 30 ECEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101429988 748854568 /nfs/dbraw/zinc/85/45/68/748854568.db2.gz JPKWEYKIAGTYIV-LMMKCTJWSA-N 2 1 333.476 0.758 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101429988 748854576 /nfs/dbraw/zinc/85/45/76/748854576.db2.gz JPKWEYKIAGTYIV-LMMKCTJWSA-N 2 1 333.476 0.758 20 30 ECEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101429988 748854580 /nfs/dbraw/zinc/85/45/80/748854580.db2.gz JPKWEYKIAGTYIV-LMMKCTJWSA-N 2 1 333.476 0.758 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)CC1 ZINC000980477354 749630180 /nfs/dbraw/zinc/63/01/80/749630180.db2.gz FFRZQBFIVVJDEE-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)CC1 ZINC000980477423 749630305 /nfs/dbraw/zinc/63/03/05/749630305.db2.gz GQKLRHMSNFRKCX-QGZVFWFLSA-N 2 1 344.463 0.156 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cn(C)nn3)[C@H]2C)CC1 ZINC000987569926 750972481 /nfs/dbraw/zinc/97/24/81/750972481.db2.gz JEZYSQRSTLVOEU-RHSMWYFYSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)[C@@H]2C)CC1 ZINC000987573133 750974585 /nfs/dbraw/zinc/97/45/85/750974585.db2.gz YPOLCXBMTARYDF-XJKSGUPXSA-N 2 1 331.420 0.494 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)[C@H]2C)CC1 ZINC000987574540 750976079 /nfs/dbraw/zinc/97/60/79/750976079.db2.gz FHMQKXSSTWNDFD-GDBMZVCRSA-N 2 1 345.447 0.802 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)CC1 ZINC001028333103 752401600 /nfs/dbraw/zinc/40/16/00/752401600.db2.gz DQXFYOFOOJCEIW-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098644749 752587193 /nfs/dbraw/zinc/58/71/93/752587193.db2.gz DUEUIECZDUSBDY-CVEARBPZSA-N 2 1 330.436 0.259 20 30 ECEDMP C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261752406 753258666 /nfs/dbraw/zinc/25/86/66/753258666.db2.gz MAJVPJQCJNGRMN-GDBMZVCRSA-N 2 1 337.512 0.745 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462738 753370048 /nfs/dbraw/zinc/37/00/48/753370048.db2.gz XQNNLNXDMACHRJ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462738 753370052 /nfs/dbraw/zinc/37/00/52/753370052.db2.gz XQNNLNXDMACHRJ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462738 753370060 /nfs/dbraw/zinc/37/00/60/753370060.db2.gz XQNNLNXDMACHRJ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462738 753370064 /nfs/dbraw/zinc/37/00/64/753370064.db2.gz XQNNLNXDMACHRJ-NXHRZFHOSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685330 753765230 /nfs/dbraw/zinc/76/52/30/753765230.db2.gz FKISEEJOYSVZNE-DLBZAZTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC000989828694 754497113 /nfs/dbraw/zinc/49/71/13/754497113.db2.gz HSHQOEAHNXZWQZ-ZBFHGGJFSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070562 756056440 /nfs/dbraw/zinc/05/64/40/756056440.db2.gz PKVZQNLCNDXGLW-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070562 756056445 /nfs/dbraw/zinc/05/64/45/756056445.db2.gz PKVZQNLCNDXGLW-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070562 756056451 /nfs/dbraw/zinc/05/64/51/756056451.db2.gz PKVZQNLCNDXGLW-RWBIUQBRSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001098662967 756368232 /nfs/dbraw/zinc/36/82/32/756368232.db2.gz RKAIVCBHAHPJIA-HNNXBMFYSA-N 2 1 330.432 0.907 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001011282702 757402967 /nfs/dbraw/zinc/40/29/67/757402967.db2.gz CIVKYUIRYUCVNT-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001011282702 757402973 /nfs/dbraw/zinc/40/29/73/757402973.db2.gz CIVKYUIRYUCVNT-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001011282702 757402979 /nfs/dbraw/zinc/40/29/79/757402979.db2.gz CIVKYUIRYUCVNT-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001011282702 757402986 /nfs/dbraw/zinc/40/29/86/757402986.db2.gz CIVKYUIRYUCVNT-KRWDZBQOSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001011314146 757486786 /nfs/dbraw/zinc/48/67/86/757486786.db2.gz FOXGMBDQGMTHBS-DLBZAZTESA-N 2 1 348.491 0.341 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001011314146 757486790 /nfs/dbraw/zinc/48/67/90/757486790.db2.gz FOXGMBDQGMTHBS-DLBZAZTESA-N 2 1 348.491 0.341 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209498 757686820 /nfs/dbraw/zinc/68/68/20/757686820.db2.gz RIJJWYTUMUXCMN-CQSZACIVSA-N 2 1 332.452 0.811 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209498 757686829 /nfs/dbraw/zinc/68/68/29/757686829.db2.gz RIJJWYTUMUXCMN-CQSZACIVSA-N 2 1 332.452 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC(N)=O)CC[C@@H]32)CC1 ZINC001021739087 757889744 /nfs/dbraw/zinc/88/97/44/757889744.db2.gz GJYZMATUDTVUQQ-IRXDYDNUSA-N 2 1 346.475 0.130 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001021928397 758073508 /nfs/dbraw/zinc/07/35/08/758073508.db2.gz PNHRFCYPHBEYRP-UXLLHSPISA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001021928397 758073520 /nfs/dbraw/zinc/07/35/20/758073520.db2.gz PNHRFCYPHBEYRP-UXLLHSPISA-N 2 1 346.406 0.765 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001077125582 758293150 /nfs/dbraw/zinc/29/31/50/758293150.db2.gz YGIIKFSJOGNVPY-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001077125582 758293156 /nfs/dbraw/zinc/29/31/56/758293156.db2.gz YGIIKFSJOGNVPY-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001077125582 758293166 /nfs/dbraw/zinc/29/31/66/758293166.db2.gz YGIIKFSJOGNVPY-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001077125582 758293173 /nfs/dbraw/zinc/29/31/73/758293173.db2.gz YGIIKFSJOGNVPY-RDJZCZTQSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996684949 758467101 /nfs/dbraw/zinc/46/71/01/758467101.db2.gz KSAIHBVTWDNFBJ-SFHVURJKSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996684949 758467104 /nfs/dbraw/zinc/46/71/04/758467104.db2.gz KSAIHBVTWDNFBJ-SFHVURJKSA-N 2 1 343.475 0.907 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996684522 758467376 /nfs/dbraw/zinc/46/73/76/758467376.db2.gz KHQARDFPYFLKTR-HOCLYGCPSA-N 2 1 344.463 0.554 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996684522 758467382 /nfs/dbraw/zinc/46/73/82/758467382.db2.gz KHQARDFPYFLKTR-HOCLYGCPSA-N 2 1 344.463 0.554 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779486 758623256 /nfs/dbraw/zinc/62/32/56/758623256.db2.gz MIKUMMGQBPHGPL-QZTJIDSGSA-N 2 1 327.428 0.607 20 30 ECEDMP N#Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC001127778882 758642102 /nfs/dbraw/zinc/64/21/02/758642102.db2.gz HMESXJDPOMIXLD-RDJZCZTQSA-N 2 1 346.406 0.766 20 30 ECEDMP N#Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1F ZINC001127778881 758642204 /nfs/dbraw/zinc/64/22/04/758642204.db2.gz HMESXJDPOMIXLD-NVXWUHKLSA-N 2 1 346.406 0.766 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2O)CC1 ZINC001047638564 759375651 /nfs/dbraw/zinc/37/56/51/759375651.db2.gz YTHIIPYXYGSOIP-VHZYLWGESA-N 2 1 347.503 0.881 20 30 ECEDMP C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205706 759621713 /nfs/dbraw/zinc/62/17/13/759621713.db2.gz FXZBOLWSDYACSE-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001032205706 759621722 /nfs/dbraw/zinc/62/17/22/759621722.db2.gz FXZBOLWSDYACSE-IRXDYDNUSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100185 759702512 /nfs/dbraw/zinc/70/25/12/759702512.db2.gz VMQGTNXUYISZPZ-KZIZELGASA-N 2 1 343.471 0.796 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100185 759702517 /nfs/dbraw/zinc/70/25/17/759702517.db2.gz VMQGTNXUYISZPZ-KZIZELGASA-N 2 1 343.471 0.796 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100185 759702523 /nfs/dbraw/zinc/70/25/23/759702523.db2.gz VMQGTNXUYISZPZ-KZIZELGASA-N 2 1 343.471 0.796 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647470 760444382 /nfs/dbraw/zinc/44/43/82/760444382.db2.gz DYQADYBSQJPKGQ-WBVHZDCISA-N 2 1 332.448 0.889 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647470 760444388 /nfs/dbraw/zinc/44/43/88/760444388.db2.gz DYQADYBSQJPKGQ-WBVHZDCISA-N 2 1 332.448 0.889 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000995926520 760788983 /nfs/dbraw/zinc/78/89/83/760788983.db2.gz WEXRTYPCKKWKQO-HOTGVXAUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000995926520 760788989 /nfs/dbraw/zinc/78/89/89/760788989.db2.gz WEXRTYPCKKWKQO-HOTGVXAUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC=C)[C@H](C)C1 ZINC001106266338 768035480 /nfs/dbraw/zinc/03/54/80/768035480.db2.gz DHLLVPPRYPPSLT-ZACQAIPSSA-N 2 1 346.475 0.070 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC=C)[C@H](C)C1 ZINC001106266338 768035483 /nfs/dbraw/zinc/03/54/83/768035483.db2.gz DHLLVPPRYPPSLT-ZACQAIPSSA-N 2 1 346.475 0.070 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCC1(F)F ZINC001046947652 763439646 /nfs/dbraw/zinc/43/96/46/763439646.db2.gz VHVFWRIVWFSBNV-GJZGRUSLSA-N 2 1 343.418 0.540 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCC1(F)F ZINC001046947652 763439654 /nfs/dbraw/zinc/43/96/54/763439654.db2.gz VHVFWRIVWFSBNV-GJZGRUSLSA-N 2 1 343.418 0.540 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCC1(F)F ZINC001046947652 763439658 /nfs/dbraw/zinc/43/96/58/763439658.db2.gz VHVFWRIVWFSBNV-GJZGRUSLSA-N 2 1 343.418 0.540 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCC1(F)F ZINC001046947652 763439664 /nfs/dbraw/zinc/43/96/64/763439664.db2.gz VHVFWRIVWFSBNV-GJZGRUSLSA-N 2 1 343.418 0.540 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052083925 763806442 /nfs/dbraw/zinc/80/64/42/763806442.db2.gz QZMRWNTYJZAPCL-GOSISDBHSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001052105877 763876721 /nfs/dbraw/zinc/87/67/21/763876721.db2.gz SXAMOJFOPKAQNH-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499765 764520320 /nfs/dbraw/zinc/52/03/20/764520320.db2.gz QNXOZEOBLVRVJA-ULQDDVLXSA-N 2 1 339.480 0.565 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499765 764520324 /nfs/dbraw/zinc/52/03/24/764520324.db2.gz QNXOZEOBLVRVJA-ULQDDVLXSA-N 2 1 339.480 0.565 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499765 764520330 /nfs/dbraw/zinc/52/03/30/764520330.db2.gz QNXOZEOBLVRVJA-ULQDDVLXSA-N 2 1 339.480 0.565 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499765 764520334 /nfs/dbraw/zinc/52/03/34/764520334.db2.gz QNXOZEOBLVRVJA-ULQDDVLXSA-N 2 1 339.480 0.565 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047527876 764599652 /nfs/dbraw/zinc/59/96/52/764599652.db2.gz JBVUQMHRBAZFST-XIRDDKMYSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047527876 764599655 /nfs/dbraw/zinc/59/96/55/764599655.db2.gz JBVUQMHRBAZFST-XIRDDKMYSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329213 766124894 /nfs/dbraw/zinc/12/48/94/766124894.db2.gz KOJRIKWTQHRMFK-RHSMWYFYSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329213 766124897 /nfs/dbraw/zinc/12/48/97/766124897.db2.gz KOJRIKWTQHRMFK-RHSMWYFYSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345237 768352695 /nfs/dbraw/zinc/35/26/95/768352695.db2.gz ZPSGPVGRFNIVEE-OAHLLOKOSA-N 2 1 334.464 0.096 20 30 ECEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254407 766533078 /nfs/dbraw/zinc/53/30/78/766533078.db2.gz VZVWSBHVBJCEFB-BRWVUGGUSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212254407 766533081 /nfs/dbraw/zinc/53/30/81/766533081.db2.gz VZVWSBHVBJCEFB-BRWVUGGUSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212254407 766533084 /nfs/dbraw/zinc/53/30/84/766533084.db2.gz VZVWSBHVBJCEFB-BRWVUGGUSA-N 2 1 339.480 0.877 20 30 ECEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212254407 766533089 /nfs/dbraw/zinc/53/30/89/766533089.db2.gz VZVWSBHVBJCEFB-BRWVUGGUSA-N 2 1 339.480 0.877 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026032 766681444 /nfs/dbraw/zinc/68/14/44/766681444.db2.gz BEIZHJIZTRTWTQ-OALUTQOASA-N 2 1 344.503 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035444 766719899 /nfs/dbraw/zinc/71/98/99/766719899.db2.gz LZWMXVUTGXQPEJ-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC001046054100 766798835 /nfs/dbraw/zinc/79/88/35/766798835.db2.gz JGBPQESGRRKSJO-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054100 766798842 /nfs/dbraw/zinc/79/88/42/766798842.db2.gz JGBPQESGRRKSJO-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046054100 766798850 /nfs/dbraw/zinc/79/88/50/766798850.db2.gz JGBPQESGRRKSJO-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CC=C)C3)CC2)CC1 ZINC001046085070 766925854 /nfs/dbraw/zinc/92/58/54/766925854.db2.gz DPHAZYVAHQPSGJ-LJQANCHMSA-N 2 1 344.503 0.736 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085161 766926492 /nfs/dbraw/zinc/92/64/92/766926492.db2.gz NAFVKVDXMNUVTQ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085161 766926493 /nfs/dbraw/zinc/92/64/93/766926493.db2.gz NAFVKVDXMNUVTQ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085161 766926495 /nfs/dbraw/zinc/92/64/95/766926495.db2.gz NAFVKVDXMNUVTQ-MSOLQXFVSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001042065427 782706818 /nfs/dbraw/zinc/70/68/18/782706818.db2.gz STUQSBQJNBRJCL-RDJZCZTQSA-N 2 1 329.448 0.614 20 30 ECEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055578609 769175110 /nfs/dbraw/zinc/17/51/10/769175110.db2.gz QSXCBRGBWCVIGA-INIZCTEOSA-N 2 1 348.491 0.294 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001055590219 769195778 /nfs/dbraw/zinc/19/57/78/769195778.db2.gz JDXWGFYKEMATNL-CQSZACIVSA-N 2 1 349.479 0.327 20 30 ECEDMP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055632330 769307473 /nfs/dbraw/zinc/30/74/73/769307473.db2.gz SAJNCSQCCAEBBO-HUUCEWRRSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001018985971 770483783 /nfs/dbraw/zinc/48/37/83/770483783.db2.gz ONWUBQXGSLWAFN-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001018985971 770483790 /nfs/dbraw/zinc/48/37/90/770483790.db2.gz ONWUBQXGSLWAFN-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106882330 770530090 /nfs/dbraw/zinc/53/00/90/770530090.db2.gz RTSGFDUTHDABTB-BZUAXINKSA-N 2 1 336.480 0.315 20 30 ECEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001019800567 771815437 /nfs/dbraw/zinc/81/54/37/771815437.db2.gz PFXJWIHQWSQAQJ-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001019800567 771815441 /nfs/dbraw/zinc/81/54/41/771815441.db2.gz PFXJWIHQWSQAQJ-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)s3)C2)CC1 ZINC001019813643 771828441 /nfs/dbraw/zinc/82/84/41/771828441.db2.gz KZQTUAQUZQQUNY-HNNXBMFYSA-N 2 1 347.488 0.882 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685241 781511182 /nfs/dbraw/zinc/51/11/82/781511182.db2.gz GHFIWUAEXFUBMC-QZTJIDSGSA-N 2 1 329.444 0.589 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685241 781511183 /nfs/dbraw/zinc/51/11/83/781511183.db2.gz GHFIWUAEXFUBMC-QZTJIDSGSA-N 2 1 329.444 0.589 20 30 ECEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488421 781616728 /nfs/dbraw/zinc/61/67/28/781616728.db2.gz HIHMWGQGBBYHEL-BDFRZKONSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488421 781616732 /nfs/dbraw/zinc/61/67/32/781616732.db2.gz HIHMWGQGBBYHEL-BDFRZKONSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041488421 781616737 /nfs/dbraw/zinc/61/67/37/781616737.db2.gz HIHMWGQGBBYHEL-BDFRZKONSA-N 2 1 329.444 0.407 20 30 ECEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001040730185 783341906 /nfs/dbraw/zinc/34/19/06/783341906.db2.gz SITNKARDZMXPPL-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070209109 783660767 /nfs/dbraw/zinc/66/07/67/783660767.db2.gz MOGTWTQETQZOQS-BBWFWOEESA-N 2 1 344.463 0.516 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289489 783794897 /nfs/dbraw/zinc/79/48/97/783794897.db2.gz FLHKHLDVTDHTJW-IKGGRYGDSA-N 2 1 344.463 0.516 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451234 784113164 /nfs/dbraw/zinc/11/31/64/784113164.db2.gz WCOKRNWOLVFILJ-CABCVRRESA-N 2 1 344.463 0.479 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451234 784113168 /nfs/dbraw/zinc/11/31/68/784113168.db2.gz WCOKRNWOLVFILJ-CABCVRRESA-N 2 1 344.463 0.479 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070661047 784516377 /nfs/dbraw/zinc/51/63/77/784516377.db2.gz VZDVNNNVBLHGJH-BZUAXINKSA-N 2 1 331.464 0.974 20 30 ECEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071219839 784766321 /nfs/dbraw/zinc/76/63/21/784766321.db2.gz YVEOKMQDJDEPJQ-WMZOPIPTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071219839 784766327 /nfs/dbraw/zinc/76/63/27/784766327.db2.gz YVEOKMQDJDEPJQ-WMZOPIPTSA-N 2 1 337.464 0.587 20 30 ECEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700391 787000603 /nfs/dbraw/zinc/00/06/03/787000603.db2.gz KTTOKGGWJDXERA-ISXWCOSWSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700391 787000614 /nfs/dbraw/zinc/00/06/14/787000614.db2.gz KTTOKGGWJDXERA-ISXWCOSWSA-N 2 1 349.475 0.633 20 30 ECEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700391 787000623 /nfs/dbraw/zinc/00/06/23/787000623.db2.gz KTTOKGGWJDXERA-ISXWCOSWSA-N 2 1 349.475 0.633 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816296 787252102 /nfs/dbraw/zinc/25/21/02/787252102.db2.gz ZZQVGIVMHMQROZ-QGZVFWFLSA-N 2 1 347.463 0.289 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816295 787252120 /nfs/dbraw/zinc/25/21/20/787252120.db2.gz ZZQVGIVMHMQROZ-KRWDZBQOSA-N 2 1 347.463 0.289 20 30 ECEDMP CC#CC[N@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050032 789347094 /nfs/dbraw/zinc/34/70/94/789347094.db2.gz GSNHQSXBNJHFQP-UHFFFAOYSA-N 2 1 329.448 0.616 20 30 ECEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001266297392 835646735 /nfs/dbraw/zinc/64/67/35/835646735.db2.gz OTWBUVQVSGPHFX-QGZVFWFLSA-N 2 1 338.496 0.407 20 30 ECEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266297392 835646740 /nfs/dbraw/zinc/64/67/40/835646740.db2.gz OTWBUVQVSGPHFX-QGZVFWFLSA-N 2 1 338.496 0.407 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001266379338 835790308 /nfs/dbraw/zinc/79/03/08/835790308.db2.gz FRGOQWOCRYDCNP-HZPDHXFCSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266560380 835988408 /nfs/dbraw/zinc/98/84/08/835988408.db2.gz JYVRTQWTUQMAMJ-WBVHZDCISA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266735656 836217101 /nfs/dbraw/zinc/21/71/01/836217101.db2.gz QYUVVSRJYHVQNH-JZXOWHBKSA-N 2 1 344.459 0.828 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266802390 836325794 /nfs/dbraw/zinc/32/57/94/836325794.db2.gz ZWGMVYGZZVQLOF-HOTGVXAUSA-N 2 1 336.480 0.601 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266901032 836453574 /nfs/dbraw/zinc/45/35/74/836453574.db2.gz IIUNMSZKWHYZLW-UUAJXVIYSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266901032 836453576 /nfs/dbraw/zinc/45/35/76/836453576.db2.gz IIUNMSZKWHYZLW-UUAJXVIYSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266901032 836453580 /nfs/dbraw/zinc/45/35/80/836453580.db2.gz IIUNMSZKWHYZLW-UUAJXVIYSA-N 2 1 346.475 0.044 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001266903238 836458437 /nfs/dbraw/zinc/45/84/37/836458437.db2.gz NAJPVOBEXUWABX-BPKGMFCQSA-N 2 1 348.491 0.406 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001266903395 836459877 /nfs/dbraw/zinc/45/98/77/836459877.db2.gz JZAKESBGYPWJDU-ZOFXXKQRSA-N 2 1 348.491 0.291 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267275590 837119092 /nfs/dbraw/zinc/11/90/92/837119092.db2.gz XZDJFCAGFOUOFG-JYJNAYRXSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267275590 837119099 /nfs/dbraw/zinc/11/90/99/837119099.db2.gz XZDJFCAGFOUOFG-JYJNAYRXSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267275590 837119104 /nfs/dbraw/zinc/11/91/04/837119104.db2.gz XZDJFCAGFOUOFG-JYJNAYRXSA-N 2 1 336.480 0.600 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267275590 837119108 /nfs/dbraw/zinc/11/91/08/837119108.db2.gz XZDJFCAGFOUOFG-JYJNAYRXSA-N 2 1 336.480 0.600 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC#CCOC)CCC)CC1 ZINC001267320765 837197766 /nfs/dbraw/zinc/19/77/66/837197766.db2.gz VKHIPGDZUGFZKG-UHFFFAOYSA-N 2 1 333.476 0.810 20 30 ECEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001267593152 837889731 /nfs/dbraw/zinc/88/97/31/837889731.db2.gz DOXSYDXAKKTJGE-CYBMUJFWSA-N 2 1 346.435 0.107 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001267843470 838641157 /nfs/dbraw/zinc/64/11/57/838641157.db2.gz GJBNNKVDTPMTCQ-HNNXBMFYSA-N 2 1 334.464 0.096 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267991139 838933959 /nfs/dbraw/zinc/93/39/59/838933959.db2.gz ZQXBSELVBDTHOD-WBVHZDCISA-N 2 1 348.491 0.485 20 30 ECEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268063168 839248171 /nfs/dbraw/zinc/24/81/71/839248171.db2.gz IENAOCXCDUEXJH-PBHICJAKSA-N 2 1 347.463 0.876 20 30 ECEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001268063168 839248179 /nfs/dbraw/zinc/24/81/79/839248179.db2.gz IENAOCXCDUEXJH-PBHICJAKSA-N 2 1 347.463 0.876 20 30 ECEDMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000328724393 285262147 /nfs/dbraw/zinc/26/21/47/285262147.db2.gz SSOLYGVFCOYRAR-HZPDHXFCSA-N 2 1 325.501 0.858 20 30 ECEDMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000328724393 285262155 /nfs/dbraw/zinc/26/21/55/285262155.db2.gz SSOLYGVFCOYRAR-HZPDHXFCSA-N 2 1 325.501 0.858 20 30 ECEDMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000328724393 285262157 /nfs/dbraw/zinc/26/21/57/285262157.db2.gz SSOLYGVFCOYRAR-HZPDHXFCSA-N 2 1 325.501 0.858 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959476 436500394 /nfs/dbraw/zinc/50/03/94/436500394.db2.gz WHLCOJADQJOQMU-AWEZNQCLSA-N 2 1 338.452 0.431 20 30 ECEDMP C=CC[N@H+](C)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000121340877 436713353 /nfs/dbraw/zinc/71/33/53/436713353.db2.gz VUIVMEXNZKURQA-UHFFFAOYSA-N 2 1 329.408 0.130 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@]1(O)CCc2ccccc21 ZINC000269674234 436668323 /nfs/dbraw/zinc/66/83/23/436668323.db2.gz CGDRCTJWAHDOID-GOSISDBHSA-N 2 1 332.448 0.447 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293910469 436917833 /nfs/dbraw/zinc/91/78/33/436917833.db2.gz FZCDHGMHZNWTDF-SFHVURJKSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000293910469 436917836 /nfs/dbraw/zinc/91/78/36/436917836.db2.gz FZCDHGMHZNWTDF-SFHVURJKSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000293910469 436917839 /nfs/dbraw/zinc/91/78/39/436917839.db2.gz FZCDHGMHZNWTDF-SFHVURJKSA-N 2 1 329.444 0.959 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000293910469 436917842 /nfs/dbraw/zinc/91/78/42/436917842.db2.gz FZCDHGMHZNWTDF-SFHVURJKSA-N 2 1 329.444 0.959 20 30 ECEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1 ZINC000264080867 437015640 /nfs/dbraw/zinc/01/56/40/437015640.db2.gz INQZRVPUDSZNHO-UHFFFAOYSA-N 2 1 345.447 0.221 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000343733138 437640657 /nfs/dbraw/zinc/64/06/57/437640657.db2.gz AVZXSLKLVVBHGB-UHFFFAOYSA-N 2 1 338.496 0.990 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000355141595 437676562 /nfs/dbraw/zinc/67/65/62/437676562.db2.gz VCUBRPJUUGRKPW-OAHLLOKOSA-N 2 1 334.464 0.496 20 30 ECEDMP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000331164134 437704343 /nfs/dbraw/zinc/70/43/43/437704343.db2.gz XSXOZBJOZLPDKN-CQSZACIVSA-N 2 1 339.484 0.384 20 30 ECEDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000331164134 437704346 /nfs/dbraw/zinc/70/43/46/437704346.db2.gz XSXOZBJOZLPDKN-CQSZACIVSA-N 2 1 339.484 0.384 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC#CC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264386 /nfs/dbraw/zinc/26/43/86/438264386.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC#CC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264392 /nfs/dbraw/zinc/26/43/92/438264392.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC#CC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000351471184 438264395 /nfs/dbraw/zinc/26/43/95/438264395.db2.gz ILNPAOIIGRWMMZ-SYMSYNOKSA-N 2 1 334.464 0.161 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422291522 438546364 /nfs/dbraw/zinc/54/63/64/438546364.db2.gz DOVVREHMBFNMQM-INIZCTEOSA-N 2 1 336.480 0.696 20 30 ECEDMP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000423042514 438632576 /nfs/dbraw/zinc/63/25/76/438632576.db2.gz ZOWDTWBASPVEFX-UHFFFAOYSA-N 2 1 343.431 0.010 20 30 ECEDMP CN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000423042514 438632579 /nfs/dbraw/zinc/63/25/79/438632579.db2.gz ZOWDTWBASPVEFX-UHFFFAOYSA-N 2 1 343.431 0.010 20 30 ECEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000591241537 438993685 /nfs/dbraw/zinc/99/36/85/438993685.db2.gz BVTHXIMYEYQSLV-LJQANCHMSA-N 2 1 346.475 0.815 20 30 ECEDMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1=CC[N@H+](C)CC1 ZINC000518364810 438995073 /nfs/dbraw/zinc/99/50/73/438995073.db2.gz ZYHSYNNSHUXANR-ZDUSSCGKSA-N 2 1 334.445 0.967 20 30 ECEDMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1=CC[N@@H+](C)CC1 ZINC000518364810 438995080 /nfs/dbraw/zinc/99/50/80/438995080.db2.gz ZYHSYNNSHUXANR-ZDUSSCGKSA-N 2 1 334.445 0.967 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335159 441017193 /nfs/dbraw/zinc/01/71/93/441017193.db2.gz GJPMKQHMEWRQMF-CABCVRRESA-N 2 1 346.479 0.689 20 30 ECEDMP C[NH+]1CCN([C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c2ccccc2)CC1 ZINC000834495379 588903177 /nfs/dbraw/zinc/90/31/77/588903177.db2.gz UZNGBLQIIYYKOX-ZACQAIPSSA-N 2 1 327.432 0.203 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000841071836 588977422 /nfs/dbraw/zinc/97/74/22/588977422.db2.gz RXGHHTGMZBJTBV-DOTOQJQBSA-N 2 1 343.431 0.794 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000907382944 587038982 /nfs/dbraw/zinc/03/89/82/587038982.db2.gz GHJBEGMMYNBYJC-KSZLIROESA-N 2 1 332.492 0.759 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000907382944 587038983 /nfs/dbraw/zinc/03/89/83/587038983.db2.gz GHJBEGMMYNBYJC-KSZLIROESA-N 2 1 332.492 0.759 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 ZINC000848064788 589276274 /nfs/dbraw/zinc/27/62/74/589276274.db2.gz ZNJDVYSAGKMGIJ-KRWDZBQOSA-N 2 1 348.491 0.533 20 30 ECEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884319213 590803618 /nfs/dbraw/zinc/80/36/18/590803618.db2.gz QBKNSTQQXLDLIS-KOHRHEQBSA-N 2 1 348.491 0.943 20 30 ECEDMP COC(=O)CC[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H]1C ZINC000884330978 590808030 /nfs/dbraw/zinc/80/80/30/590808030.db2.gz BZCQSXZRUMVYFL-CQDIZWNASA-N 2 1 348.447 0.222 20 30 ECEDMP COC(=O)CC[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H]1C ZINC000884330978 590808036 /nfs/dbraw/zinc/80/80/36/590808036.db2.gz BZCQSXZRUMVYFL-CQDIZWNASA-N 2 1 348.447 0.222 20 30 ECEDMP C#CCN1CCC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000886211323 590815157 /nfs/dbraw/zinc/81/51/57/590815157.db2.gz MZDNNTQADUOZNM-KRWDZBQOSA-N 2 1 328.464 0.416 20 30 ECEDMP C#CCC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000886381414 590837050 /nfs/dbraw/zinc/83/70/50/590837050.db2.gz BDZJVWUKFYGGOL-UHFFFAOYSA-N 2 1 329.448 0.891 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367995 591152724 /nfs/dbraw/zinc/15/27/24/591152724.db2.gz ZSZXHCLZIQHWML-CVEARBPZSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367995 591152726 /nfs/dbraw/zinc/15/27/26/591152726.db2.gz ZSZXHCLZIQHWML-CVEARBPZSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367995 591152728 /nfs/dbraw/zinc/15/27/28/591152728.db2.gz ZSZXHCLZIQHWML-CVEARBPZSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000890367995 591152730 /nfs/dbraw/zinc/15/27/30/591152730.db2.gz ZSZXHCLZIQHWML-CVEARBPZSA-N 2 1 336.480 0.571 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000890371609 591155158 /nfs/dbraw/zinc/15/51/58/591155158.db2.gz ZCHOMGDKTMRIRW-SJORKVTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000890371609 591155161 /nfs/dbraw/zinc/15/51/61/591155161.db2.gz ZCHOMGDKTMRIRW-SJORKVTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731288 611441189 /nfs/dbraw/zinc/44/11/89/611441189.db2.gz KKIFFRMHQLGXAV-KSZLIROESA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731288 611441191 /nfs/dbraw/zinc/44/11/91/611441191.db2.gz KKIFFRMHQLGXAV-KSZLIROESA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731288 611441192 /nfs/dbraw/zinc/44/11/92/611441192.db2.gz KKIFFRMHQLGXAV-KSZLIROESA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731288 611441193 /nfs/dbraw/zinc/44/11/93/611441193.db2.gz KKIFFRMHQLGXAV-KSZLIROESA-N 2 1 333.476 0.899 20 30 ECEDMP C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](CC2CC2)CC1 ZINC000178988242 608843861 /nfs/dbraw/zinc/84/38/61/608843861.db2.gz FGBNMJHWUVKCLA-KRWDZBQOSA-N 2 1 334.512 0.026 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000937756048 609060794 /nfs/dbraw/zinc/06/07/94/609060794.db2.gz MLAJVGQMBWDRPZ-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP COCC[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912505636 609962733 /nfs/dbraw/zinc/96/27/33/609962733.db2.gz BLRNODHZQNQWRN-HNNXBMFYSA-N 2 1 327.517 0.850 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000943910637 611035019 /nfs/dbraw/zinc/03/50/19/611035019.db2.gz KYUQSDAPKSUYMH-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000943910637 611035022 /nfs/dbraw/zinc/03/50/22/611035022.db2.gz KYUQSDAPKSUYMH-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000943910637 611035025 /nfs/dbraw/zinc/03/50/25/611035025.db2.gz KYUQSDAPKSUYMH-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000943910637 611035028 /nfs/dbraw/zinc/03/50/28/611035028.db2.gz KYUQSDAPKSUYMH-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000950429175 612015853 /nfs/dbraw/zinc/01/58/53/612015853.db2.gz ZBSUDTGFAVMILX-IAGOWNOFSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000951637395 612421121 /nfs/dbraw/zinc/42/11/21/612421121.db2.gz UPBIFGPLVUXGNY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000951637395 612421125 /nfs/dbraw/zinc/42/11/25/612421125.db2.gz UPBIFGPLVUXGNY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000951637395 612421128 /nfs/dbraw/zinc/42/11/28/612421128.db2.gz UPBIFGPLVUXGNY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000951637395 612421131 /nfs/dbraw/zinc/42/11/31/612421131.db2.gz UPBIFGPLVUXGNY-IKGGRYGDSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000955341636 612466090 /nfs/dbraw/zinc/46/60/90/612466090.db2.gz QUJUQMYCRYRFRS-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000955341636 612466094 /nfs/dbraw/zinc/46/60/94/612466094.db2.gz QUJUQMYCRYRFRS-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000955341636 612466096 /nfs/dbraw/zinc/46/60/96/612466096.db2.gz QUJUQMYCRYRFRS-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC000955341636 612466102 /nfs/dbraw/zinc/46/61/02/612466102.db2.gz QUJUQMYCRYRFRS-WBVHZDCISA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000956021494 612620810 /nfs/dbraw/zinc/62/08/10/612620810.db2.gz FZRBLSAGNBVYTG-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC000956021494 612620812 /nfs/dbraw/zinc/62/08/12/612620812.db2.gz FZRBLSAGNBVYTG-IRXDYDNUSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834995 782306807 /nfs/dbraw/zinc/30/68/07/782306807.db2.gz PBHAQBPICUBVEY-PKOBYXMFSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167225239 733068531 /nfs/dbraw/zinc/06/85/31/733068531.db2.gz RIKSHKGECIWBRN-CVEARBPZSA-N 2 1 348.491 0.485 20 30 ECEDMP C=CCOCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460490 734565896 /nfs/dbraw/zinc/56/58/96/734565896.db2.gz DFTJKXUNUSBRJU-UHFFFAOYSA-N 2 1 339.480 0.787 20 30 ECEDMP C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410567 736144079 /nfs/dbraw/zinc/14/40/79/736144079.db2.gz SRZYBEYUFKOVMI-HKUYNNGSSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001112516294 736754398 /nfs/dbraw/zinc/75/43/98/736754398.db2.gz CDLMVWFQUWTBKB-LNLFQRSKSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001112516294 736754400 /nfs/dbraw/zinc/75/44/00/736754400.db2.gz CDLMVWFQUWTBKB-LNLFQRSKSA-N 2 1 333.476 0.947 20 30 ECEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500656 736926039 /nfs/dbraw/zinc/92/60/39/736926039.db2.gz XIYVEMXCOYAKAG-SDDULXJBSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001023500656 736926042 /nfs/dbraw/zinc/92/60/42/736926042.db2.gz XIYVEMXCOYAKAG-SDDULXJBSA-N 2 1 331.460 0.701 20 30 ECEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001023500656 736926045 /nfs/dbraw/zinc/92/60/45/736926045.db2.gz XIYVEMXCOYAKAG-SDDULXJBSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001024021949 737626435 /nfs/dbraw/zinc/62/64/35/737626435.db2.gz MVKBUEOEHWKEBB-CVEARBPZSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001024021949 737626437 /nfs/dbraw/zinc/62/64/37/737626437.db2.gz MVKBUEOEHWKEBB-CVEARBPZSA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100680942 738077210 /nfs/dbraw/zinc/07/72/10/738077210.db2.gz NJTGIUDMBDWFCT-UHFFFAOYSA-N 2 1 338.496 0.751 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC000981975895 751391402 /nfs/dbraw/zinc/39/14/02/751391402.db2.gz BWLCQJDGHISOSR-JKSUJKDBSA-N 2 1 336.480 0.648 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC000981975895 751391409 /nfs/dbraw/zinc/39/14/09/751391409.db2.gz BWLCQJDGHISOSR-JKSUJKDBSA-N 2 1 336.480 0.648 20 30 ECEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001104680714 739467110 /nfs/dbraw/zinc/46/71/10/739467110.db2.gz VQKRAMDNSFLZHF-ARFHVFGLSA-N 2 1 349.479 0.042 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797762 739965967 /nfs/dbraw/zinc/96/59/67/739965967.db2.gz LJBDOBWXUZVLFX-QMIVOQANSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797762 739965969 /nfs/dbraw/zinc/96/59/69/739965969.db2.gz LJBDOBWXUZVLFX-QMIVOQANSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025797762 739965972 /nfs/dbraw/zinc/96/59/72/739965972.db2.gz LJBDOBWXUZVLFX-QMIVOQANSA-N 2 1 325.840 0.649 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025797762 739965974 /nfs/dbraw/zinc/96/59/74/739965974.db2.gz LJBDOBWXUZVLFX-QMIVOQANSA-N 2 1 325.840 0.649 20 30 ECEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104872732 740779214 /nfs/dbraw/zinc/77/92/14/740779214.db2.gz XSUWUWCCHTYHCO-HZPDHXFCSA-N 2 1 336.480 0.152 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001105292120 741655486 /nfs/dbraw/zinc/65/54/86/741655486.db2.gz ABBIMICZBAQBSP-QGZVFWFLSA-N 2 1 344.463 0.811 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749633 741759784 /nfs/dbraw/zinc/75/97/84/741759784.db2.gz MNWVTMLRCFSVIR-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749633 741759785 /nfs/dbraw/zinc/75/97/85/741759785.db2.gz MNWVTMLRCFSVIR-ROUUACIJSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001026893609 742038791 /nfs/dbraw/zinc/03/87/91/742038791.db2.gz LSEMMRNCFGBJNV-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001026893609 742038794 /nfs/dbraw/zinc/03/87/94/742038794.db2.gz LSEMMRNCFGBJNV-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000996803377 742893500 /nfs/dbraw/zinc/89/35/00/742893500.db2.gz VEUACXMAGFREJE-MRXNPFEDSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997183254 743324908 /nfs/dbraw/zinc/32/49/08/743324908.db2.gz JCSFKSOQBIKZTM-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000041336 745220589 /nfs/dbraw/zinc/22/05/89/745220589.db2.gz ANDKXVSLHMZRDJ-GDBMZVCRSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041336 745220595 /nfs/dbraw/zinc/22/05/95/745220595.db2.gz ANDKXVSLHMZRDJ-GDBMZVCRSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041336 745220596 /nfs/dbraw/zinc/22/05/96/745220596.db2.gz ANDKXVSLHMZRDJ-GDBMZVCRSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656362 745347907 /nfs/dbraw/zinc/34/79/07/745347907.db2.gz PVZDARFUHFFMSY-HIFRSBDPSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+]([C@H](C)C(N)=O)CC2(C)C)CC1 ZINC000977656362 745347912 /nfs/dbraw/zinc/34/79/12/745347912.db2.gz PVZDARFUHFFMSY-HIFRSBDPSA-N 2 1 334.464 0.032 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000983903999 745482680 /nfs/dbraw/zinc/48/26/80/745482680.db2.gz JIOKRDMEVOAZEM-TVFCKZIOSA-N 2 1 333.476 0.995 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000983903999 745482683 /nfs/dbraw/zinc/48/26/83/745482683.db2.gz JIOKRDMEVOAZEM-TVFCKZIOSA-N 2 1 333.476 0.995 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1=O ZINC000984803775 746960676 /nfs/dbraw/zinc/96/06/76/746960676.db2.gz JNAJXOSXXLVBPF-QBPKDAKJSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCCNC3=O)C2)CC1 ZINC000980477353 749630073 /nfs/dbraw/zinc/63/00/73/749630073.db2.gz FFRZQBFIVVJDEE-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262790095 749772309 /nfs/dbraw/zinc/77/23/09/749772309.db2.gz NSJMWDSLDBYUCY-IUODEOHRSA-N 2 1 327.498 0.210 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](C(C)C)CC1 ZINC000262814187 749858032 /nfs/dbraw/zinc/85/80/32/749858032.db2.gz WEOUFJMWGDEZHB-QGZVFWFLSA-N 2 1 336.528 0.414 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C)CC1 ZINC001028333060 752401040 /nfs/dbraw/zinc/40/10/40/752401040.db2.gz BYZWVPGWRXPWMW-INIZCTEOSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C)CC1 ZINC001028333060 752401044 /nfs/dbraw/zinc/40/10/44/752401044.db2.gz BYZWVPGWRXPWMW-INIZCTEOSA-N 2 1 334.464 0.000 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465777 752756121 /nfs/dbraw/zinc/75/61/21/752756121.db2.gz MZLKGNAUMGSNTA-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465777 752756127 /nfs/dbraw/zinc/75/61/27/752756127.db2.gz MZLKGNAUMGSNTA-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465777 752756134 /nfs/dbraw/zinc/75/61/34/752756134.db2.gz MZLKGNAUMGSNTA-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001028465777 752756141 /nfs/dbraw/zinc/75/61/41/752756141.db2.gz MZLKGNAUMGSNTA-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818707 753850153 /nfs/dbraw/zinc/85/01/53/753850153.db2.gz BHHKIHMYRXWHDE-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818707 753850164 /nfs/dbraw/zinc/85/01/64/753850164.db2.gz BHHKIHMYRXWHDE-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818707 753850171 /nfs/dbraw/zinc/85/01/71/753850171.db2.gz BHHKIHMYRXWHDE-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982818707 753850182 /nfs/dbraw/zinc/85/01/82/753850182.db2.gz BHHKIHMYRXWHDE-QRQLOZEOSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001011315073 757491473 /nfs/dbraw/zinc/49/14/73/757491473.db2.gz XPOLLEWYWWUQGN-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001011315073 757491480 /nfs/dbraw/zinc/49/14/80/757491480.db2.gz XPOLLEWYWWUQGN-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001011315073 757491487 /nfs/dbraw/zinc/49/14/87/757491487.db2.gz XPOLLEWYWWUQGN-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001011315073 757491492 /nfs/dbraw/zinc/49/14/92/757491492.db2.gz XPOLLEWYWWUQGN-SJORKVTESA-N 2 1 346.475 0.239 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783217 757998636 /nfs/dbraw/zinc/99/86/36/757998636.db2.gz GHFIWUAEXFUBMC-MSOLQXFVSA-N 2 1 329.444 0.589 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783217 757998643 /nfs/dbraw/zinc/99/86/43/757998643.db2.gz GHFIWUAEXFUBMC-MSOLQXFVSA-N 2 1 329.444 0.589 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996684549 758467399 /nfs/dbraw/zinc/46/73/99/758467399.db2.gz KPGDUSIBATYABR-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996684549 758467404 /nfs/dbraw/zinc/46/74/04/758467404.db2.gz KPGDUSIBATYABR-SFHVURJKSA-N 2 1 343.475 0.641 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779487 758622679 /nfs/dbraw/zinc/62/26/79/758622679.db2.gz MIKUMMGQBPHGPL-ROUUACIJSA-N 2 1 327.428 0.607 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCO)CC1 ZINC001049921089 759405253 /nfs/dbraw/zinc/40/52/53/759405253.db2.gz UZKRWGPGEIVKKK-ZWKOTPCHSA-N 2 1 333.476 0.779 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100302 759702054 /nfs/dbraw/zinc/70/20/54/759702054.db2.gz YGMJXUJBZLKHEG-VVJOJPPRSA-N 2 1 343.471 0.796 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100302 759702060 /nfs/dbraw/zinc/70/20/60/759702060.db2.gz YGMJXUJBZLKHEG-VVJOJPPRSA-N 2 1 343.471 0.796 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100302 759702067 /nfs/dbraw/zinc/70/20/67/759702067.db2.gz YGMJXUJBZLKHEG-VVJOJPPRSA-N 2 1 343.471 0.796 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202658 759931423 /nfs/dbraw/zinc/93/14/23/759931423.db2.gz SGRCOEXLABLEDS-OKZBNKHCSA-N 2 1 333.476 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202658 759931428 /nfs/dbraw/zinc/93/14/28/759931428.db2.gz SGRCOEXLABLEDS-OKZBNKHCSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001048532898 760671993 /nfs/dbraw/zinc/67/19/93/760671993.db2.gz KLUVGWWTXJVQIW-SFFUCWETSA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001048532898 760672000 /nfs/dbraw/zinc/67/20/00/760672000.db2.gz KLUVGWWTXJVQIW-SFFUCWETSA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)O ZINC001048532898 760672004 /nfs/dbraw/zinc/67/20/04/760672004.db2.gz KLUVGWWTXJVQIW-SFFUCWETSA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)O ZINC001048532898 760672011 /nfs/dbraw/zinc/67/20/11/760672011.db2.gz KLUVGWWTXJVQIW-SFFUCWETSA-N 2 1 333.476 0.824 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000995926521 760789303 /nfs/dbraw/zinc/78/93/03/760789303.db2.gz WEXRTYPCKKWKQO-JKSUJKDBSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC000995926521 760789305 /nfs/dbraw/zinc/78/93/05/760789305.db2.gz WEXRTYPCKKWKQO-JKSUJKDBSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000995084644 763418739 /nfs/dbraw/zinc/41/87/39/763418739.db2.gz DUIQGUQPRCGYNE-KRWDZBQOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026253 763619119 /nfs/dbraw/zinc/61/91/19/763619119.db2.gz COWCPWHBFAIJLI-ZWKOTPCHSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001047529629 764609735 /nfs/dbraw/zinc/60/97/35/764609735.db2.gz JZDLKBMBFSBODQ-ROUUACIJSA-N 2 1 329.444 0.541 20 30 ECEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001047529629 764609739 /nfs/dbraw/zinc/60/97/39/764609739.db2.gz JZDLKBMBFSBODQ-ROUUACIJSA-N 2 1 329.444 0.541 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)C1 ZINC001107009721 764654305 /nfs/dbraw/zinc/65/43/05/764654305.db2.gz XOBSAEBIKBNDCF-ZACQAIPSSA-N 2 1 337.464 0.041 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)C1 ZINC001107009721 764654312 /nfs/dbraw/zinc/65/43/12/764654312.db2.gz XOBSAEBIKBNDCF-ZACQAIPSSA-N 2 1 337.464 0.041 20 30 ECEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COC1CC[NH+](C)CC1 ZINC001089882514 764658001 /nfs/dbraw/zinc/65/80/01/764658001.db2.gz DZCCMTAZLAVJRD-AITUJVMLSA-N 2 1 345.487 0.899 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654549 765128946 /nfs/dbraw/zinc/12/89/46/765128946.db2.gz ZDSQCOSHGYUKFH-JKSUJKDBSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654549 765128953 /nfs/dbraw/zinc/12/89/53/765128953.db2.gz ZDSQCOSHGYUKFH-JKSUJKDBSA-N 2 1 334.464 0.306 20 30 ECEDMP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555476 766402313 /nfs/dbraw/zinc/40/23/13/766402313.db2.gz QDFVUOAVLPPCOP-KZNAEPCWSA-N 2 1 333.476 0.968 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001031674801 766429475 /nfs/dbraw/zinc/42/94/75/766429475.db2.gz PQTUPFHTNQFOQN-IRXDYDNUSA-N 2 1 346.475 0.163 20 30 ECEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254979 766607566 /nfs/dbraw/zinc/60/75/66/766607566.db2.gz GZQCZRBQHBTJQA-JKSUJKDBSA-N 2 1 349.479 0.329 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001046037310 766732645 /nfs/dbraw/zinc/73/26/45/766732645.db2.gz VVBNQUCFSMDAHL-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001046037310 766732647 /nfs/dbraw/zinc/73/26/47/766732647.db2.gz VVBNQUCFSMDAHL-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCC=C)C2)CC1 ZINC001046037310 766732653 /nfs/dbraw/zinc/73/26/53/766732653.db2.gz VVBNQUCFSMDAHL-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCC=C)C2)CC1 ZINC001046037310 766732659 /nfs/dbraw/zinc/73/26/59/766732659.db2.gz VVBNQUCFSMDAHL-OALUTQOASA-N 2 1 344.503 0.879 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218007 767082792 /nfs/dbraw/zinc/08/27/92/767082792.db2.gz JAXNMSLHMFERFB-IEBWSBKVSA-N 2 1 342.443 0.969 20 30 ECEDMP CN1CCO[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C#N)cc3)C2)C1 ZINC001046218007 767082798 /nfs/dbraw/zinc/08/27/98/767082798.db2.gz JAXNMSLHMFERFB-IEBWSBKVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055567936 769135086 /nfs/dbraw/zinc/13/50/86/769135086.db2.gz UMOIHXFGSPPPDV-MRXNPFEDSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055567935 769135142 /nfs/dbraw/zinc/13/51/42/769135142.db2.gz UMOIHXFGSPPPDV-INIZCTEOSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]C(C)C)nn2)C1 ZINC001089584526 771578389 /nfs/dbraw/zinc/57/83/89/771578389.db2.gz RQXZVUJZGOGNFB-SJORKVTESA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]C(C)C)nn2)C1 ZINC001089584526 771578395 /nfs/dbraw/zinc/57/83/95/771578395.db2.gz RQXZVUJZGOGNFB-SJORKVTESA-N 2 1 344.463 0.647 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001020250315 772350298 /nfs/dbraw/zinc/35/02/98/772350298.db2.gz BBVWSYBXTRUBAX-ULQDDVLXSA-N 2 1 329.448 0.297 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001020250315 772350302 /nfs/dbraw/zinc/35/03/02/772350302.db2.gz BBVWSYBXTRUBAX-ULQDDVLXSA-N 2 1 329.448 0.297 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001020250550 772351062 /nfs/dbraw/zinc/35/10/62/772351062.db2.gz IFQUUTIGSSGYME-JYJNAYRXSA-N 2 1 349.866 0.871 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001020250550 772351063 /nfs/dbraw/zinc/35/10/63/772351063.db2.gz IFQUUTIGSSGYME-JYJNAYRXSA-N 2 1 349.866 0.871 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cn2c[nH+]cc2C)C1=O ZINC001045121920 775013650 /nfs/dbraw/zinc/01/36/50/775013650.db2.gz BYSHHQUSLPNTKQ-HOTGVXAUSA-N 2 1 345.447 0.559 20 30 ECEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243129 780917616 /nfs/dbraw/zinc/91/76/16/780917616.db2.gz NNNKJISGNDHPSX-ZJPYXAASSA-N 2 1 345.487 0.899 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001041408110 781448932 /nfs/dbraw/zinc/44/89/32/781448932.db2.gz KJHJHZVYWCOOIK-IBGZPJMESA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070367044 783901651 /nfs/dbraw/zinc/90/16/51/783901651.db2.gz AWLDWLFRNFRPDE-NUJGCVRESA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001070414281 784012916 /nfs/dbraw/zinc/01/29/16/784012916.db2.gz JBYOTTAUVNWNNG-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001070414281 784012922 /nfs/dbraw/zinc/01/29/22/784012922.db2.gz JBYOTTAUVNWNNG-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001070414281 784012930 /nfs/dbraw/zinc/01/29/30/784012930.db2.gz JBYOTTAUVNWNNG-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451235 784113421 /nfs/dbraw/zinc/11/34/21/784113421.db2.gz WCOKRNWOLVFILJ-GJZGRUSLSA-N 2 1 344.463 0.479 20 30 ECEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451235 784113423 /nfs/dbraw/zinc/11/34/23/784113423.db2.gz WCOKRNWOLVFILJ-GJZGRUSLSA-N 2 1 344.463 0.479 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070501036 784196899 /nfs/dbraw/zinc/19/68/99/784196899.db2.gz VVCPBGXHAFBTGJ-DOTOQJQBSA-N 2 1 331.464 0.974 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071015485 784421345 /nfs/dbraw/zinc/42/13/45/784421345.db2.gz GXMDIWRNENLFDF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001071015485 784421350 /nfs/dbraw/zinc/42/13/50/784421350.db2.gz GXMDIWRNENLFDF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001071015485 784421353 /nfs/dbraw/zinc/42/13/53/784421353.db2.gz GXMDIWRNENLFDF-INIZCTEOSA-N 2 1 336.480 0.555 20 30 ECEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001071047030 784477786 /nfs/dbraw/zinc/47/77/86/784477786.db2.gz WBNSUHPWAGOCJP-IKGGRYGDSA-N 2 1 337.464 0.489 20 30 ECEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001071047030 784477793 /nfs/dbraw/zinc/47/77/93/784477793.db2.gz WBNSUHPWAGOCJP-IKGGRYGDSA-N 2 1 337.464 0.489 20 30 ECEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001071087029 784530248 /nfs/dbraw/zinc/53/02/48/784530248.db2.gz GQUISXHJQDGCCB-WDYCEAGBSA-N 2 1 333.476 0.947 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070719995 784593373 /nfs/dbraw/zinc/59/33/73/784593373.db2.gz GONRDBWZJAAEIH-BFYDXBDKSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070719995 784593381 /nfs/dbraw/zinc/59/33/81/784593381.db2.gz GONRDBWZJAAEIH-BFYDXBDKSA-N 2 1 347.463 0.211 20 30 ECEDMP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277113 784923024 /nfs/dbraw/zinc/92/30/24/784923024.db2.gz LDCGGKQAWBBOLE-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277113 784923034 /nfs/dbraw/zinc/92/30/34/784923034.db2.gz LDCGGKQAWBBOLE-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277113 784923041 /nfs/dbraw/zinc/92/30/41/784923041.db2.gz LDCGGKQAWBBOLE-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277113 784923047 /nfs/dbraw/zinc/92/30/47/784923047.db2.gz LDCGGKQAWBBOLE-DLBZAZTESA-N 2 1 348.491 0.649 20 30 ECEDMP C#CCCN1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277371 784923653 /nfs/dbraw/zinc/92/36/53/784923653.db2.gz SDZLAIJBTXMHES-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001073563737 786616862 /nfs/dbraw/zinc/61/68/62/786616862.db2.gz IISJAESNRFKFAX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073563737 786616866 /nfs/dbraw/zinc/61/68/66/786616866.db2.gz IISJAESNRFKFAX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073563737 786616874 /nfs/dbraw/zinc/61/68/74/786616874.db2.gz IISJAESNRFKFAX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563737 786616879 /nfs/dbraw/zinc/61/68/79/786616879.db2.gz IISJAESNRFKFAX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073563737 786616886 /nfs/dbraw/zinc/61/68/86/786616886.db2.gz IISJAESNRFKFAX-CVEARBPZSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700671 786999764 /nfs/dbraw/zinc/99/97/64/786999764.db2.gz SXJXGIPYAXECHK-VZDIDWBNSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700671 786999769 /nfs/dbraw/zinc/99/97/69/786999769.db2.gz SXJXGIPYAXECHK-VZDIDWBNSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700671 786999773 /nfs/dbraw/zinc/99/97/73/786999773.db2.gz SXJXGIPYAXECHK-VZDIDWBNSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C)C1=O ZINC001075111675 788921591 /nfs/dbraw/zinc/92/15/91/788921591.db2.gz NZGJQQKJUUMJSE-BPUTZDHNSA-N 2 1 345.447 0.557 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001267560562 837771709 /nfs/dbraw/zinc/77/17/09/837771709.db2.gz AYZYPBBKKRRJCM-JYJNAYRXSA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267560562 837771719 /nfs/dbraw/zinc/77/17/19/837771719.db2.gz AYZYPBBKKRRJCM-JYJNAYRXSA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC[NH+]1C ZINC001267560562 837771726 /nfs/dbraw/zinc/77/17/26/837771726.db2.gz AYZYPBBKKRRJCM-JYJNAYRXSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCn2nc(C)nc2C)CC1 ZINC001266362393 835774048 /nfs/dbraw/zinc/77/40/48/835774048.db2.gz GVTCUMKYSLAKJQ-UHFFFAOYSA-N 2 1 346.479 0.288 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266379337 835790574 /nfs/dbraw/zinc/79/05/74/835790574.db2.gz FRGOQWOCRYDCNP-HOTGVXAUSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(OC)c1 ZINC001266950081 836513528 /nfs/dbraw/zinc/51/35/28/836513528.db2.gz MCBLBBGJDSBIMJ-HOCLYGCPSA-N 2 1 330.432 0.782 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccnc(OC)c1 ZINC001266950081 836513540 /nfs/dbraw/zinc/51/35/40/836513540.db2.gz MCBLBBGJDSBIMJ-HOCLYGCPSA-N 2 1 330.432 0.782 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)C(=O)NCC(C)C ZINC001267200133 836972394 /nfs/dbraw/zinc/97/23/94/836972394.db2.gz FQWNJGZZQDHYEW-CVEARBPZSA-N 2 1 336.480 0.293 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)C(=O)NCC(C)C ZINC001267200133 836972404 /nfs/dbraw/zinc/97/24/04/836972404.db2.gz FQWNJGZZQDHYEW-CVEARBPZSA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267241610 837050665 /nfs/dbraw/zinc/05/06/65/837050665.db2.gz DISIJORSUBORGW-HRCADAONSA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267241610 837050677 /nfs/dbraw/zinc/05/06/77/837050677.db2.gz DISIJORSUBORGW-HRCADAONSA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267241610 837050689 /nfs/dbraw/zinc/05/06/89/837050689.db2.gz DISIJORSUBORGW-HRCADAONSA-N 2 1 336.480 0.293 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267241610 837050703 /nfs/dbraw/zinc/05/07/03/837050703.db2.gz DISIJORSUBORGW-HRCADAONSA-N 2 1 336.480 0.293 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269405 837106850 /nfs/dbraw/zinc/10/68/50/837106850.db2.gz NMBMILXAIFKGSC-GJZGRUSLSA-N 2 1 336.480 0.742 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267269405 837106854 /nfs/dbraw/zinc/10/68/54/837106854.db2.gz NMBMILXAIFKGSC-GJZGRUSLSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001267296897 837156641 /nfs/dbraw/zinc/15/66/41/837156641.db2.gz XKKRIWNDKQXTKT-SJORKVTESA-N 2 1 348.491 0.294 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NCC(C)C)C1 ZINC001267296897 837156647 /nfs/dbraw/zinc/15/66/47/837156647.db2.gz XKKRIWNDKQXTKT-SJORKVTESA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCc1nc(C)no1 ZINC001267386577 837322675 /nfs/dbraw/zinc/32/26/75/837322675.db2.gz MVXBGWXEAXGLTL-HNNXBMFYSA-N 2 1 333.436 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCCc1nc(C)no1 ZINC001267386577 837322687 /nfs/dbraw/zinc/32/26/87/837322687.db2.gz MVXBGWXEAXGLTL-HNNXBMFYSA-N 2 1 333.436 0.456 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267617393 838038015 /nfs/dbraw/zinc/03/80/15/838038015.db2.gz GJARXPREMAVSDG-VVLHAWIVSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267617393 838038030 /nfs/dbraw/zinc/03/80/30/838038030.db2.gz GJARXPREMAVSDG-VVLHAWIVSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267617393 838038045 /nfs/dbraw/zinc/03/80/45/838038045.db2.gz GJARXPREMAVSDG-VVLHAWIVSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267617393 838038058 /nfs/dbraw/zinc/03/80/58/838038058.db2.gz GJARXPREMAVSDG-VVLHAWIVSA-N 2 1 348.491 0.435 20 30 ECEDMP C=CCN(CC=C)C(=O)CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267768111 838507059 /nfs/dbraw/zinc/50/70/59/838507059.db2.gz MFQQERBSLMHPMA-DLBZAZTESA-N 2 1 348.491 0.814 20 30 ECEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001267930599 838811136 /nfs/dbraw/zinc/81/11/36/838811136.db2.gz KVNYZJCWLRLQEA-QAQDUYKDSA-N 2 1 337.464 0.376 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)C1=O ZINC001268033289 839081433 /nfs/dbraw/zinc/08/14/33/839081433.db2.gz LDDZNENXQYMKLW-JKSUJKDBSA-N 2 1 348.491 0.886 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000264249790 254515032 /nfs/dbraw/zinc/51/50/32/254515032.db2.gz GTSMVQFXOMFXRI-KRWDZBQOSA-N 2 1 343.475 0.960 20 30 ECEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000329820054 278159397 /nfs/dbraw/zinc/15/93/97/278159397.db2.gz YBZCCSBRWADBPV-OWCLPIDISA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000329820054 278159398 /nfs/dbraw/zinc/15/93/98/278159398.db2.gz YBZCCSBRWADBPV-OWCLPIDISA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000329820054 278159399 /nfs/dbraw/zinc/15/93/99/278159399.db2.gz YBZCCSBRWADBPV-OWCLPIDISA-N 2 1 325.501 0.856 20 30 ECEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000270457664 436672317 /nfs/dbraw/zinc/67/23/17/436672317.db2.gz WDHBDODLZUYWTR-KRWDZBQOSA-N 2 1 338.427 0.660 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000293264061 436860446 /nfs/dbraw/zinc/86/04/46/436860446.db2.gz FFNISVGJSQXUJT-UHFFFAOYSA-N 2 1 330.432 0.758 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000264166362 437018121 /nfs/dbraw/zinc/01/81/21/437018121.db2.gz WWCRZRWJGRZTRB-MRXNPFEDSA-N 2 1 349.479 0.914 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000305332125 437162822 /nfs/dbraw/zinc/16/28/22/437162822.db2.gz NCSLYYMEFQBKHW-BZUAXINKSA-N 2 1 336.480 0.961 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494717 437215525 /nfs/dbraw/zinc/21/55/25/437215525.db2.gz BXBCTKVEFBARSH-AWEZNQCLSA-N 2 1 333.440 0.024 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000343765294 437649530 /nfs/dbraw/zinc/64/95/30/437649530.db2.gz MUXHOCMIWVHWSP-OAHLLOKOSA-N 2 1 336.480 0.553 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000343767065 437652337 /nfs/dbraw/zinc/65/23/37/437652337.db2.gz QLZYLWVWCWZRHB-UHFFFAOYSA-N 2 1 336.480 0.696 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340831183 437748757 /nfs/dbraw/zinc/74/87/57/437748757.db2.gz SYUKZGNKBPDORA-DLBZAZTESA-N 2 1 348.491 0.886 20 30 ECEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306201 437918342 /nfs/dbraw/zinc/91/83/42/437918342.db2.gz SJVLMUYIWDOZOU-WBVHZDCISA-N 2 1 335.496 0.847 20 30 ECEDMP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264926 /nfs/dbraw/zinc/26/49/26/438264926.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC#CC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264929 /nfs/dbraw/zinc/26/49/29/438264929.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 2 1 334.464 0.161 20 30 ECEDMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC#CC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000351471182 438264932 /nfs/dbraw/zinc/26/49/32/438264932.db2.gz ILNPAOIIGRWMMZ-FPCVCCKLSA-N 2 1 334.464 0.161 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000377751913 438326860 /nfs/dbraw/zinc/32/68/60/438326860.db2.gz YRCJPXVPUCLTSO-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000564914451 438886311 /nfs/dbraw/zinc/88/63/11/438886311.db2.gz XADXNUNSHORSLY-QGZVFWFLSA-N 2 1 344.463 0.731 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000491807422 439455792 /nfs/dbraw/zinc/45/57/92/439455792.db2.gz SQYQPMHYXKWCAW-UHFFFAOYSA-N 2 1 332.452 0.202 20 30 ECEDMP C=C(C)CN(CC)C(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640791850 440991338 /nfs/dbraw/zinc/99/13/38/440991338.db2.gz HDAPNRWEMVLCHH-UHFFFAOYSA-N 2 1 334.468 0.668 20 30 ECEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C1 ZINC000329280675 546019269 /nfs/dbraw/zinc/01/92/69/546019269.db2.gz MEGKAVUFWGLGLF-OFQRWUPVSA-N 2 1 344.525 0.725 20 30 ECEDMP C=C1[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000899935884 586514018 /nfs/dbraw/zinc/51/40/18/586514018.db2.gz SFFRIZXWLSKJJF-HZPDHXFCSA-N 2 1 334.464 0.117 20 30 ECEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000855345702 589627823 /nfs/dbraw/zinc/62/78/23/589627823.db2.gz GTLOIODODCBFMQ-YOEHRIQHSA-N 2 1 332.448 0.980 20 30 ECEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000855345702 589627824 /nfs/dbraw/zinc/62/78/24/589627824.db2.gz GTLOIODODCBFMQ-YOEHRIQHSA-N 2 1 332.448 0.980 20 30 ECEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](O)c1c[nH]cn1 ZINC000864911341 590116024 /nfs/dbraw/zinc/11/60/24/590116024.db2.gz TZWUQUAHUXFYCT-MRXNPFEDSA-N 2 1 327.388 0.905 20 30 ECEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000125132204 590251366 /nfs/dbraw/zinc/25/13/66/590251366.db2.gz PVCXUDQYOHUACI-INIZCTEOSA-N 2 1 348.495 0.766 20 30 ECEDMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751214 590409017 /nfs/dbraw/zinc/40/90/17/590409017.db2.gz MPAOQWIZLPJWCZ-AEFFLSMTSA-N 2 1 342.443 0.972 20 30 ECEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876751214 590409021 /nfs/dbraw/zinc/40/90/21/590409021.db2.gz MPAOQWIZLPJWCZ-AEFFLSMTSA-N 2 1 342.443 0.972 20 30 ECEDMP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756532 590409940 /nfs/dbraw/zinc/40/99/40/590409940.db2.gz UGNDLONUKOLOAJ-WBVHZDCISA-N 2 1 328.416 0.582 20 30 ECEDMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876756532 590409943 /nfs/dbraw/zinc/40/99/43/590409943.db2.gz UGNDLONUKOLOAJ-WBVHZDCISA-N 2 1 328.416 0.582 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000888884944 590458329 /nfs/dbraw/zinc/45/83/29/590458329.db2.gz GBQCMBWFWHMKKX-IAGOWNOFSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000888884944 590458331 /nfs/dbraw/zinc/45/83/31/590458331.db2.gz GBQCMBWFWHMKKX-IAGOWNOFSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000888884944 590458334 /nfs/dbraw/zinc/45/83/34/590458334.db2.gz GBQCMBWFWHMKKX-IAGOWNOFSA-N 2 1 336.480 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000888884944 590458336 /nfs/dbraw/zinc/45/83/36/590458336.db2.gz GBQCMBWFWHMKKX-IAGOWNOFSA-N 2 1 336.480 0.884 20 30 ECEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884180233 590764917 /nfs/dbraw/zinc/76/49/17/590764917.db2.gz QQGCOUJKVXVMDO-LPMVOBIJSA-N 2 1 334.464 0.599 20 30 ECEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884235027 590784868 /nfs/dbraw/zinc/78/48/68/590784868.db2.gz KYERADFXRZUJGS-WPZCVXBKSA-N 2 1 347.507 0.516 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000890370806 591152925 /nfs/dbraw/zinc/15/29/25/591152925.db2.gz GKKLLZWXYYAGBV-ROUUACIJSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370806 591152929 /nfs/dbraw/zinc/15/29/29/591152929.db2.gz GKKLLZWXYYAGBV-ROUUACIJSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370806 591152932 /nfs/dbraw/zinc/15/29/32/591152932.db2.gz GKKLLZWXYYAGBV-ROUUACIJSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370806 591152935 /nfs/dbraw/zinc/15/29/35/591152935.db2.gz GKKLLZWXYYAGBV-ROUUACIJSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000929991306 611376478 /nfs/dbraw/zinc/37/64/78/611376478.db2.gz FLHFVJXXSUDEJG-INIZCTEOSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000928659835 611708481 /nfs/dbraw/zinc/70/84/81/611708481.db2.gz DEZZLQHAXRJABF-HNNXBMFYSA-N 2 1 335.448 0.475 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000928659835 611708482 /nfs/dbraw/zinc/70/84/82/611708482.db2.gz DEZZLQHAXRJABF-HNNXBMFYSA-N 2 1 335.448 0.475 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nncs3)C2)CC1 ZINC000939807722 610135860 /nfs/dbraw/zinc/13/58/60/610135860.db2.gz AAJNSWIBIPFSJJ-DZGCQCFKSA-N 2 1 347.488 0.820 20 30 ECEDMP CC#CCN1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443371 610308505 /nfs/dbraw/zinc/30/85/05/610308505.db2.gz MJLIHTCMMZYFBS-KRWDZBQOSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941440199 610316426 /nfs/dbraw/zinc/31/64/26/610316426.db2.gz CFKVYJKKAIJHBP-IBGZPJMESA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC(C)C)C2)CC1 ZINC000941440827 610316853 /nfs/dbraw/zinc/31/68/53/610316853.db2.gz UCLJVPNOVINUGO-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC(C)C)C2)CC1 ZINC000941440827 610316855 /nfs/dbraw/zinc/31/68/55/610316855.db2.gz UCLJVPNOVINUGO-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP C=CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941455627 610327595 /nfs/dbraw/zinc/32/75/95/610327595.db2.gz XQSGFCZWBIQGMC-UHFFFAOYSA-N 2 1 332.492 0.877 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940754381 610357451 /nfs/dbraw/zinc/35/74/51/610357451.db2.gz XKNZQHXQIVGTDY-INIZCTEOSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000941671258 610444696 /nfs/dbraw/zinc/44/46/96/610444696.db2.gz FRMDZQYMVYIZFA-QGZVFWFLSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000941671258 610444698 /nfs/dbraw/zinc/44/46/98/610444698.db2.gz FRMDZQYMVYIZFA-QGZVFWFLSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000941674177 610446969 /nfs/dbraw/zinc/44/69/69/610446969.db2.gz ZBTWVZBPERJGMZ-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000941674177 610446971 /nfs/dbraw/zinc/44/69/71/610446971.db2.gz ZBTWVZBPERJGMZ-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000941674177 610446973 /nfs/dbraw/zinc/44/69/73/610446973.db2.gz ZBTWVZBPERJGMZ-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000941674177 610446974 /nfs/dbraw/zinc/44/69/74/610446974.db2.gz ZBTWVZBPERJGMZ-ZACQAIPSSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941674407 610447434 /nfs/dbraw/zinc/44/74/34/610447434.db2.gz AJOIFTPYUWTHDP-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674407 610447436 /nfs/dbraw/zinc/44/74/36/610447436.db2.gz AJOIFTPYUWTHDP-GOSISDBHSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941237053 610620912 /nfs/dbraw/zinc/62/09/12/610620912.db2.gz GQNROICIISFBKL-KRWDZBQOSA-N 2 1 335.492 0.931 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000950429177 612015773 /nfs/dbraw/zinc/01/57/73/612015773.db2.gz ZBSUDTGFAVMILX-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000954706388 612574103 /nfs/dbraw/zinc/57/41/03/612574103.db2.gz LNUUZPZAINQCOC-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000954706388 612574107 /nfs/dbraw/zinc/57/41/07/612574107.db2.gz LNUUZPZAINQCOC-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000954706388 612574112 /nfs/dbraw/zinc/57/41/12/612574112.db2.gz LNUUZPZAINQCOC-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000954706388 612574116 /nfs/dbraw/zinc/57/41/16/612574116.db2.gz LNUUZPZAINQCOC-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccnn2C)C1 ZINC000969866168 732464579 /nfs/dbraw/zinc/46/45/79/732464579.db2.gz UHAGKGGBBRDLFQ-QAPCUYQASA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccnn2C)C1 ZINC000969866168 732464581 /nfs/dbraw/zinc/46/45/81/732464581.db2.gz UHAGKGGBBRDLFQ-QAPCUYQASA-N 2 1 343.475 0.497 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCCO)C3)C2)CC1 ZINC001041842718 782323845 /nfs/dbraw/zinc/32/38/45/782323845.db2.gz AVWRFKBNCBDHKL-IBGZPJMESA-N 2 1 333.476 0.638 20 30 ECEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000970766036 733923758 /nfs/dbraw/zinc/92/37/58/733923758.db2.gz PFXJWIHQWSQAQJ-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000970766036 733923760 /nfs/dbraw/zinc/92/37/60/733923760.db2.gz PFXJWIHQWSQAQJ-MSOLQXFVSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cnn(C)c3)C2)CC1 ZINC000970924950 734092585 /nfs/dbraw/zinc/09/25/85/734092585.db2.gz OFAMEOMTMWDSSV-HNNXBMFYSA-N 2 1 343.475 0.702 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380129 736048361 /nfs/dbraw/zinc/04/83/61/736048361.db2.gz FFHWNVKVRZEZEC-IEBWSBKVSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380129 736048363 /nfs/dbraw/zinc/04/83/63/736048363.db2.gz FFHWNVKVRZEZEC-IEBWSBKVSA-N 2 1 331.460 0.655 20 30 ECEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433563 736191645 /nfs/dbraw/zinc/19/16/45/736191645.db2.gz KTIQBVDGTANEFD-QUJXQBBWSA-N 2 1 345.487 0.947 20 30 ECEDMP C#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)CCO1)C[C@@H](C)O2 ZINC001098577372 736913966 /nfs/dbraw/zinc/91/39/66/736913966.db2.gz CTTDLOQVFDBRIC-CVEARBPZSA-N 2 1 335.448 0.032 20 30 ECEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682869 737371753 /nfs/dbraw/zinc/37/17/53/737371753.db2.gz JCMXDHMESOQKBP-SJLPKXTDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682869 737371759 /nfs/dbraw/zinc/37/17/59/737371759.db2.gz JCMXDHMESOQKBP-SJLPKXTDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682869 737371764 /nfs/dbraw/zinc/37/17/64/737371764.db2.gz JCMXDHMESOQKBP-SJLPKXTDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682869 737371770 /nfs/dbraw/zinc/37/17/70/737371770.db2.gz JCMXDHMESOQKBP-SJLPKXTDSA-N 2 1 337.464 0.587 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)nn1 ZINC001105283692 741641840 /nfs/dbraw/zinc/64/18/40/741641840.db2.gz TUPJNXNVDOCZTL-UHFFFAOYSA-N 2 1 337.387 0.899 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554258 739714005 /nfs/dbraw/zinc/71/40/05/739714005.db2.gz AHFSGCXMKVTIHX-JKSUJKDBSA-N 2 1 331.464 0.908 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001025793986 739960055 /nfs/dbraw/zinc/96/00/55/739960055.db2.gz GPGWDUDIUSXMSO-FFRIZKCHSA-N 2 1 346.475 0.160 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001025793986 739960058 /nfs/dbraw/zinc/96/00/58/739960058.db2.gz GPGWDUDIUSXMSO-FFRIZKCHSA-N 2 1 346.475 0.160 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001025793986 739960060 /nfs/dbraw/zinc/96/00/60/739960060.db2.gz GPGWDUDIUSXMSO-FFRIZKCHSA-N 2 1 346.475 0.160 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996419 /nfs/dbraw/zinc/99/64/19/739996419.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 1 339.443 0.682 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996420 /nfs/dbraw/zinc/99/64/20/739996420.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 1 339.443 0.682 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001026040886 740326869 /nfs/dbraw/zinc/32/68/69/740326869.db2.gz SVYAEENSVQXUIM-ZNFSNMQZSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@@H]2C)C1=O ZINC001026040886 740326872 /nfs/dbraw/zinc/32/68/72/740326872.db2.gz SVYAEENSVQXUIM-ZNFSNMQZSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC[C@@H]2C)C1=O ZINC001026040886 740326877 /nfs/dbraw/zinc/32/68/77/740326877.db2.gz SVYAEENSVQXUIM-ZNFSNMQZSA-N 2 1 346.475 0.304 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149316 740424925 /nfs/dbraw/zinc/42/49/25/740424925.db2.gz HGZGKWPKLSMPGI-GPFWEFOESA-N 2 1 345.487 0.946 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259930 741583220 /nfs/dbraw/zinc/58/32/20/741583220.db2.gz SDYLNGXNACNSFN-UHFFFAOYSA-N 2 1 330.436 0.259 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749634 741759860 /nfs/dbraw/zinc/75/98/60/741759860.db2.gz MNWVTMLRCFSVIR-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001026749634 741759862 /nfs/dbraw/zinc/75/98/62/741759862.db2.gz MNWVTMLRCFSVIR-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001026892750 742036360 /nfs/dbraw/zinc/03/63/60/742036360.db2.gz BGXWIUAWLQTCBR-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001026892750 742036364 /nfs/dbraw/zinc/03/63/64/742036364.db2.gz BGXWIUAWLQTCBR-RDJZCZTQSA-N 2 1 329.448 0.456 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261597357 751752116 /nfs/dbraw/zinc/75/21/16/751752116.db2.gz AADBVHIFCWNOMB-CQSZACIVSA-N 2 1 345.513 0.047 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000983391667 742935863 /nfs/dbraw/zinc/93/58/63/742935863.db2.gz PMOAZOODSUBDRS-XJKCOSOUSA-N 2 1 348.472 0.935 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000983391667 742935868 /nfs/dbraw/zinc/93/58/68/742935868.db2.gz PMOAZOODSUBDRS-XJKCOSOUSA-N 2 1 348.472 0.935 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000983392461 742943764 /nfs/dbraw/zinc/94/37/64/742943764.db2.gz YJFNKFJQYNKQBR-BZSNNMDCSA-N 2 1 342.443 0.873 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000983392461 742943770 /nfs/dbraw/zinc/94/37/70/742943770.db2.gz YJFNKFJQYNKQBR-BZSNNMDCSA-N 2 1 342.443 0.873 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001029003354 743155339 /nfs/dbraw/zinc/15/53/39/743155339.db2.gz LUBNDVNKBVOMET-GDBMZVCRSA-N 2 1 334.464 0.034 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000997624560 743716791 /nfs/dbraw/zinc/71/67/91/743716791.db2.gz UCTVPRQTRFMJMH-XIRDDKMYSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000997624560 743716796 /nfs/dbraw/zinc/71/67/96/743716796.db2.gz UCTVPRQTRFMJMH-XIRDDKMYSA-N 2 1 348.491 0.565 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997832167 743842604 /nfs/dbraw/zinc/84/26/04/743842604.db2.gz NPTJVEYEIWCFKI-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997832167 743842608 /nfs/dbraw/zinc/84/26/08/743842608.db2.gz NPTJVEYEIWCFKI-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046322 745227382 /nfs/dbraw/zinc/22/73/82/745227382.db2.gz SHPBDWIHPFEGOG-ZBFHGGJFSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000046322 745227387 /nfs/dbraw/zinc/22/73/87/745227387.db2.gz SHPBDWIHPFEGOG-ZBFHGGJFSA-N 2 1 330.436 0.116 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046322 745227392 /nfs/dbraw/zinc/22/73/92/745227392.db2.gz SHPBDWIHPFEGOG-ZBFHGGJFSA-N 2 1 330.436 0.116 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001001492091 746429694 /nfs/dbraw/zinc/42/96/94/746429694.db2.gz OPRAVLPFSCJOPD-KRWDZBQOSA-N 2 1 344.463 0.204 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001001492091 746429697 /nfs/dbraw/zinc/42/96/97/746429697.db2.gz OPRAVLPFSCJOPD-KRWDZBQOSA-N 2 1 344.463 0.204 20 30 ECEDMP C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261688961 752216168 /nfs/dbraw/zinc/21/61/68/752216168.db2.gz IKJOAKLELSZCLI-SFHVURJKSA-N 2 1 348.539 0.558 20 30 ECEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCC(C(=O)OC)CC1 ZINC000262745203 749615821 /nfs/dbraw/zinc/61/58/21/749615821.db2.gz ABMZZTQMDWIPRB-INIZCTEOSA-N 2 1 342.509 0.884 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)n3)[C@@H]2C)CC1 ZINC000987566880 750968987 /nfs/dbraw/zinc/96/89/87/750968987.db2.gz CFDKQJFALGUWSD-YOEHRIQHSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncnn3C)[C@@H]2C)CC1 ZINC000987575306 750977786 /nfs/dbraw/zinc/97/77/86/750977786.db2.gz JDFDKVQTADDPPF-GOEBONIOSA-N 2 1 344.463 0.239 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901720 751258349 /nfs/dbraw/zinc/25/83/49/751258349.db2.gz UABHPHKQPAVUOL-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901720 751258354 /nfs/dbraw/zinc/25/83/54/751258354.db2.gz UABHPHKQPAVUOL-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000981901720 751258357 /nfs/dbraw/zinc/25/83/57/751258357.db2.gz UABHPHKQPAVUOL-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCC2)CC1 ZINC001028333070 752401392 /nfs/dbraw/zinc/40/13/92/752401392.db2.gz CDLJXBZNCMYXPZ-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCC2)CC1 ZINC001028333070 752401397 /nfs/dbraw/zinc/40/13/97/752401397.db2.gz CDLJXBZNCMYXPZ-QGZVFWFLSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C)CC1 ZINC001028333105 752401502 /nfs/dbraw/zinc/40/15/02/752401502.db2.gz DQXFYOFOOJCEIW-RDJZCZTQSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC001007518537 752474311 /nfs/dbraw/zinc/47/43/11/752474311.db2.gz CHOXXTAGZWQAKC-MSOLQXFVSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCc2cnn(C)c2)C1 ZINC001007518537 752474319 /nfs/dbraw/zinc/47/43/19/752474319.db2.gz CHOXXTAGZWQAKC-MSOLQXFVSA-N 2 1 343.475 0.641 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001021096357 752537287 /nfs/dbraw/zinc/53/72/87/752537287.db2.gz OUWTVPQQWXAPBD-LUKYLMHMSA-N 2 1 348.491 0.885 20 30 ECEDMP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467481 752761327 /nfs/dbraw/zinc/76/13/27/752761327.db2.gz XBTXPWMKGNZZTB-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467481 752761329 /nfs/dbraw/zinc/76/13/29/752761329.db2.gz XBTXPWMKGNZZTB-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467481 752761334 /nfs/dbraw/zinc/76/13/34/752761334.db2.gz XBTXPWMKGNZZTB-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467481 752761340 /nfs/dbraw/zinc/76/13/40/752761340.db2.gz XBTXPWMKGNZZTB-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467481 752761347 /nfs/dbraw/zinc/76/13/47/752761347.db2.gz XBTXPWMKGNZZTB-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CCNCc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105376904 754066409 /nfs/dbraw/zinc/06/64/09/754066409.db2.gz KJVFLJKJGFJCQQ-MRXNPFEDSA-N 2 1 330.436 0.259 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218322 754667646 /nfs/dbraw/zinc/66/76/46/754667646.db2.gz BKXUCIZUEYSVGX-JKSUJKDBSA-N 2 1 346.475 0.450 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001009218322 754667648 /nfs/dbraw/zinc/66/76/48/754667648.db2.gz BKXUCIZUEYSVGX-JKSUJKDBSA-N 2 1 346.475 0.450 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000983315446 755170524 /nfs/dbraw/zinc/17/05/24/755170524.db2.gz RYIKSFBDHAKFSP-ULQDDVLXSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000983315446 755170529 /nfs/dbraw/zinc/17/05/29/755170529.db2.gz RYIKSFBDHAKFSP-ULQDDVLXSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030020034 755576643 /nfs/dbraw/zinc/57/66/43/755576643.db2.gz BOJTXVVLUGHWFW-ARFHVFGLSA-N 2 1 334.464 0.448 20 30 ECEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070410 756054968 /nfs/dbraw/zinc/05/49/68/756054968.db2.gz HWDWSCJDQDJXNB-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070410 756054975 /nfs/dbraw/zinc/05/49/75/756054975.db2.gz HWDWSCJDQDJXNB-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070410 756054980 /nfs/dbraw/zinc/05/49/80/756054980.db2.gz HWDWSCJDQDJXNB-RWBIUQBRSA-N 2 1 331.460 0.958 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001077125460 758290018 /nfs/dbraw/zinc/29/00/18/758290018.db2.gz VNDLMQWKQAOTFS-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001077125460 758290025 /nfs/dbraw/zinc/29/00/25/758290025.db2.gz VNDLMQWKQAOTFS-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001077125460 758290035 /nfs/dbraw/zinc/29/00/35/758290035.db2.gz VNDLMQWKQAOTFS-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001077125460 758290046 /nfs/dbraw/zinc/29/00/46/758290046.db2.gz VNDLMQWKQAOTFS-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328918 758300609 /nfs/dbraw/zinc/30/06/09/758300609.db2.gz CAPBXXVCGUVGPV-FRQCXROJSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328918 758300622 /nfs/dbraw/zinc/30/06/22/758300622.db2.gz CAPBXXVCGUVGPV-FRQCXROJSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328918 758300633 /nfs/dbraw/zinc/30/06/33/758300633.db2.gz CAPBXXVCGUVGPV-FRQCXROJSA-N 2 1 348.491 0.744 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001022437256 758725788 /nfs/dbraw/zinc/72/57/88/758725788.db2.gz BUKWHPLFIOKROE-ZNMIVQPWSA-N 2 1 331.420 0.215 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598350 760550770 /nfs/dbraw/zinc/55/07/70/760550770.db2.gz CGKLEEAGDCBFQL-GNZRSQJKSA-N 2 1 343.471 0.797 20 30 ECEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001051930121 763362612 /nfs/dbraw/zinc/36/26/12/763362612.db2.gz IWFDKPNOXVQZEJ-MSOLQXFVSA-N 2 1 342.443 0.827 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046995375 763534097 /nfs/dbraw/zinc/53/40/97/763534097.db2.gz IOCVCPOQRYCMRJ-HUUCEWRRSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995375 763534101 /nfs/dbraw/zinc/53/41/01/763534101.db2.gz IOCVCPOQRYCMRJ-HUUCEWRRSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995375 763534106 /nfs/dbraw/zinc/53/41/06/763534106.db2.gz IOCVCPOQRYCMRJ-HUUCEWRRSA-N 2 1 343.418 0.804 20 30 ECEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995375 763534109 /nfs/dbraw/zinc/53/41/09/763534109.db2.gz IOCVCPOQRYCMRJ-HUUCEWRRSA-N 2 1 343.418 0.804 20 30 ECEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@@H+]1C ZINC001052031246 763631760 /nfs/dbraw/zinc/63/17/60/763631760.db2.gz IBJLGMAXIKNASR-IXDOHACOSA-N 2 1 333.480 0.459 20 30 ECEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC[N@H+]1C ZINC001052031246 763631764 /nfs/dbraw/zinc/63/17/64/763631764.db2.gz IBJLGMAXIKNASR-IXDOHACOSA-N 2 1 333.480 0.459 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCC=C)CC2)C1 ZINC001052037283 763653351 /nfs/dbraw/zinc/65/33/51/763653351.db2.gz JUPWYAHIAVKJNH-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCC=C)CC2)C1 ZINC001052037283 763653356 /nfs/dbraw/zinc/65/33/56/763653356.db2.gz JUPWYAHIAVKJNH-MOPGFXCFSA-N 2 1 344.503 0.879 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068664 763763335 /nfs/dbraw/zinc/76/33/35/763763335.db2.gz MBAUWIQWTDMABE-RTBURBONSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068664 763763338 /nfs/dbraw/zinc/76/33/38/763763338.db2.gz MBAUWIQWTDMABE-RTBURBONSA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001047227662 763816336 /nfs/dbraw/zinc/81/63/36/763816336.db2.gz DZDYBHAUULZJRY-QZTJIDSGSA-N 2 1 333.476 0.901 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047408796 764254658 /nfs/dbraw/zinc/25/46/58/764254658.db2.gz CIQSFBVSKWFYIT-BZSNNMDCSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047408796 764254667 /nfs/dbraw/zinc/25/46/67/764254667.db2.gz CIQSFBVSKWFYIT-BZSNNMDCSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047408796 764254674 /nfs/dbraw/zinc/25/46/74/764254674.db2.gz CIQSFBVSKWFYIT-BZSNNMDCSA-N 2 1 333.476 0.920 20 30 ECEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001047501151 764525547 /nfs/dbraw/zinc/52/55/47/764525547.db2.gz NHCCFSAOBUGACX-BZSNNMDCSA-N 2 1 333.476 0.920 20 30 ECEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089875559 764609905 /nfs/dbraw/zinc/60/99/05/764609905.db2.gz MVZULCVRFMFPMR-VJANTYMQSA-N 2 1 345.487 0.901 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001089875559 764609909 /nfs/dbraw/zinc/60/99/09/764609909.db2.gz MVZULCVRFMFPMR-VJANTYMQSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958084 764943768 /nfs/dbraw/zinc/94/37/68/764943768.db2.gz SZYWFXPMJXUYIL-NNMQDGNJSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958084 764943772 /nfs/dbraw/zinc/94/37/72/764943772.db2.gz SZYWFXPMJXUYIL-NNMQDGNJSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958084 764943778 /nfs/dbraw/zinc/94/37/78/764943778.db2.gz SZYWFXPMJXUYIL-NNMQDGNJSA-N 2 1 343.471 0.986 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329199 766124850 /nfs/dbraw/zinc/12/48/50/766124850.db2.gz KOJRIKWTQHRMFK-PBHICJAKSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329199 766124853 /nfs/dbraw/zinc/12/48/53/766124853.db2.gz KOJRIKWTQHRMFK-PBHICJAKSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001016331128 766130609 /nfs/dbraw/zinc/13/06/09/766130609.db2.gz XDVJNGNVMQOLJS-KRWDZBQOSA-N 2 1 329.448 0.419 20 30 ECEDMP C=C(C)CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)O2 ZINC001053585744 766376463 /nfs/dbraw/zinc/37/64/63/766376463.db2.gz KIFWPNCZFBBITM-HOTGVXAUSA-N 2 1 337.464 0.633 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032159 766704999 /nfs/dbraw/zinc/70/49/99/766704999.db2.gz FDAHZVQDWFRVCH-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046032159 766705001 /nfs/dbraw/zinc/70/50/01/766705001.db2.gz FDAHZVQDWFRVCH-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001046032159 766705003 /nfs/dbraw/zinc/70/50/03/766705003.db2.gz FDAHZVQDWFRVCH-FGTMMUONSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046041979 766753896 /nfs/dbraw/zinc/75/38/96/766753896.db2.gz VWZFJESPGWMVKQ-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041979 766753899 /nfs/dbraw/zinc/75/38/99/766753899.db2.gz VWZFJESPGWMVKQ-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046041979 766753904 /nfs/dbraw/zinc/75/39/04/766753904.db2.gz VWZFJESPGWMVKQ-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046042241 766755370 /nfs/dbraw/zinc/75/53/70/766755370.db2.gz XTRFRMSZOVRRFE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046042241 766755372 /nfs/dbraw/zinc/75/53/72/766755372.db2.gz XTRFRMSZOVRRFE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046042241 766755373 /nfs/dbraw/zinc/75/53/73/766755373.db2.gz XTRFRMSZOVRRFE-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058895 766819721 /nfs/dbraw/zinc/81/97/21/766819721.db2.gz VMENVQBLWKORRT-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073837 766887518 /nfs/dbraw/zinc/88/75/18/766887518.db2.gz MGINLJLBDCIUPR-IBGZPJMESA-N 2 1 346.519 0.960 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CC ZINC001078398653 782869969 /nfs/dbraw/zinc/86/99/69/782869969.db2.gz PCFJJGXKSFRITC-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC ZINC001078398653 782869977 /nfs/dbraw/zinc/86/99/77/782869977.db2.gz PCFJJGXKSFRITC-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)CC ZINC001078398653 782869986 /nfs/dbraw/zinc/86/99/86/782869986.db2.gz PCFJJGXKSFRITC-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)CC ZINC001078398653 782869995 /nfs/dbraw/zinc/86/99/95/782869995.db2.gz PCFJJGXKSFRITC-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)[C@@H]2C)CC1 ZINC000994500323 770916864 /nfs/dbraw/zinc/91/68/64/770916864.db2.gz RCIMYFMFNJTWBO-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)[C@@H]2C)CC1 ZINC000994500323 770916869 /nfs/dbraw/zinc/91/68/69/770916869.db2.gz RCIMYFMFNJTWBO-NVXWUHKLSA-N 2 1 348.491 0.389 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001019152619 770939375 /nfs/dbraw/zinc/93/93/75/770939375.db2.gz CWURBKPKYAHOJW-LSDHHAIUSA-N 2 1 331.420 0.169 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cc(OC)no3)C2)CC1 ZINC001019815195 771830609 /nfs/dbraw/zinc/83/06/09/771830609.db2.gz BZWARDHOUJDIDO-HNNXBMFYSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2snnc2C)C1 ZINC001020250832 772351564 /nfs/dbraw/zinc/35/15/64/772351564.db2.gz UCKFGVBVQKKYPH-IHRRRGAJSA-N 2 1 333.461 0.681 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2snnc2C)C1 ZINC001020250832 772351570 /nfs/dbraw/zinc/35/15/70/772351570.db2.gz UCKFGVBVQKKYPH-IHRRRGAJSA-N 2 1 333.461 0.681 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001045073396 774935590 /nfs/dbraw/zinc/93/55/90/774935590.db2.gz FMDQQIJGSUNUTL-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001045073396 774935595 /nfs/dbraw/zinc/93/55/95/774935595.db2.gz FMDQQIJGSUNUTL-ROUUACIJSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ncnn2C)CC1 ZINC001045321625 775410698 /nfs/dbraw/zinc/41/06/98/775410698.db2.gz ZDCKXESKWXARQY-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001045639936 775946161 /nfs/dbraw/zinc/94/61/61/775946161.db2.gz VPEUWJMTTLVBEG-HZPDHXFCSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079719786 776761644 /nfs/dbraw/zinc/76/16/44/776761644.db2.gz BKNINNDCVDHURV-DDBAPUKQSA-N 2 1 333.476 0.803 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001080385412 777779553 /nfs/dbraw/zinc/77/95/53/777779553.db2.gz SGXJGOQZBDDNKS-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001080385412 777779562 /nfs/dbraw/zinc/77/95/62/777779562.db2.gz SGXJGOQZBDDNKS-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCOC)[C@@H]3C2)CC1 ZINC001042369693 780158966 /nfs/dbraw/zinc/15/89/66/780158966.db2.gz ZZGZCRVYXHITNZ-FUHWJXTLSA-N 2 1 333.476 0.901 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682666 781503441 /nfs/dbraw/zinc/50/34/41/781503441.db2.gz DWNNHUILKSHSNW-DJIMGWMZSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077682666 781503450 /nfs/dbraw/zinc/50/34/50/781503450.db2.gz DWNNHUILKSHSNW-DJIMGWMZSA-N 2 1 332.448 0.881 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](C)O)CC1 ZINC001040014061 783408055 /nfs/dbraw/zinc/40/80/55/783408055.db2.gz DECBDWABTANNJK-NXHRZFHOSA-N 2 1 333.476 0.778 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)C)[C@@H](n2ccnn2)C1 ZINC001070211722 783664831 /nfs/dbraw/zinc/66/48/31/783664831.db2.gz XLAYVIVTFPVCTP-IKGGRYGDSA-N 2 1 342.447 0.293 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)C)[C@@H](n2ccnn2)C1 ZINC001070211722 783664836 /nfs/dbraw/zinc/66/48/36/783664836.db2.gz XLAYVIVTFPVCTP-IKGGRYGDSA-N 2 1 342.447 0.293 20 30 ECEDMP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001070414280 784012188 /nfs/dbraw/zinc/01/21/88/784012188.db2.gz JBYOTTAUVNWNNG-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001070414280 784012196 /nfs/dbraw/zinc/01/21/96/784012196.db2.gz JBYOTTAUVNWNNG-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001070414280 784012203 /nfs/dbraw/zinc/01/22/03/784012203.db2.gz JBYOTTAUVNWNNG-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432989 784057549 /nfs/dbraw/zinc/05/75/49/784057549.db2.gz XEALUVCKJHRWQB-OAHLLOKOSA-N 2 1 341.459 0.934 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001070434119 784061298 /nfs/dbraw/zinc/06/12/98/784061298.db2.gz MUIJMSQSJFTNCJ-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001070434119 784061306 /nfs/dbraw/zinc/06/13/06/784061306.db2.gz MUIJMSQSJFTNCJ-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070434119 784061319 /nfs/dbraw/zinc/06/13/19/784061319.db2.gz MUIJMSQSJFTNCJ-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001070434119 784061326 /nfs/dbraw/zinc/06/13/26/784061326.db2.gz MUIJMSQSJFTNCJ-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001070513449 784213816 /nfs/dbraw/zinc/21/38/16/784213816.db2.gz OXPDVOWZXGDAIG-GOEBONIOSA-N 2 1 328.420 0.695 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001071000083 784371093 /nfs/dbraw/zinc/37/10/93/784371093.db2.gz MXRGDKDZZURUJZ-HZPDHXFCSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001071000083 784371098 /nfs/dbraw/zinc/37/10/98/784371098.db2.gz MXRGDKDZZURUJZ-HZPDHXFCSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001071000083 784371106 /nfs/dbraw/zinc/37/11/06/784371106.db2.gz MXRGDKDZZURUJZ-HZPDHXFCSA-N 2 1 336.480 0.411 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001070660420 784516026 /nfs/dbraw/zinc/51/60/26/784516026.db2.gz DFQMMXUMNUIWMZ-BZUAXINKSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001070767785 784672717 /nfs/dbraw/zinc/67/27/17/784672717.db2.gz MFCQUAVAAMUMLS-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001070767785 784672722 /nfs/dbraw/zinc/67/27/22/784672722.db2.gz MFCQUAVAAMUMLS-SJORKVTESA-N 2 1 348.491 0.533 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073895763 787463606 /nfs/dbraw/zinc/46/36/06/787463606.db2.gz AYDOVGIUBALODT-SJORKVTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073895763 787463613 /nfs/dbraw/zinc/46/36/13/787463613.db2.gz AYDOVGIUBALODT-SJORKVTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073895763 787463617 /nfs/dbraw/zinc/46/36/17/787463617.db2.gz AYDOVGIUBALODT-SJORKVTESA-N 2 1 339.480 0.880 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073895763 787463623 /nfs/dbraw/zinc/46/36/23/787463623.db2.gz AYDOVGIUBALODT-SJORKVTESA-N 2 1 339.480 0.880 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H]1CCOC1)C2 ZINC001072822322 788889444 /nfs/dbraw/zinc/88/94/44/788889444.db2.gz AJHWHJDFUBFMQY-SJORKVTESA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H]1CCOC1)C2 ZINC001072822322 788889457 /nfs/dbraw/zinc/88/94/57/788889457.db2.gz AJHWHJDFUBFMQY-SJORKVTESA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC001072822322 788889470 /nfs/dbraw/zinc/88/94/70/788889470.db2.gz AJHWHJDFUBFMQY-SJORKVTESA-N 2 1 331.460 0.655 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC001072822322 788889483 /nfs/dbraw/zinc/88/94/83/788889483.db2.gz AJHWHJDFUBFMQY-SJORKVTESA-N 2 1 331.460 0.655 20 30 ECEDMP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267487091 837549100 /nfs/dbraw/zinc/54/91/00/837549100.db2.gz AJYDRNMFCKDUBG-WBVHZDCISA-N 2 1 348.491 0.437 20 30 ECEDMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267495698 837565669 /nfs/dbraw/zinc/56/56/69/837565669.db2.gz FUSCNJFQQPOABT-OAHLLOKOSA-N 2 1 346.435 0.144 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569386 837795009 /nfs/dbraw/zinc/79/50/09/837795009.db2.gz UHSPCXJAQBPGKV-HZPDHXFCSA-N 2 1 346.475 0.048 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267071966 836716973 /nfs/dbraw/zinc/71/69/73/836716973.db2.gz ZTMZUZMQAAIOTB-JKSUJKDBSA-N 2 1 336.480 0.601 20 30 ECEDMP C=CCNC(=O)C[NH2+]CCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267912257 838779975 /nfs/dbraw/zinc/77/99/75/838779975.db2.gz HRWOPGQVGSLUTJ-UHFFFAOYSA-N 2 1 347.463 0.712 20 30 ECEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCC#N ZINC000104113657 285282607 /nfs/dbraw/zinc/28/26/07/285282607.db2.gz ZYEYBVIPOYKUIK-HNNXBMFYSA-N 2 1 330.498 0.968 20 30 ECEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCC#N ZINC000104113657 285282608 /nfs/dbraw/zinc/28/26/08/285282608.db2.gz ZYEYBVIPOYKUIK-HNNXBMFYSA-N 2 1 330.498 0.968 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000076458576 436207476 /nfs/dbraw/zinc/20/74/76/436207476.db2.gz VDFIEIVNGDOSPG-INIZCTEOSA-N 2 1 334.464 0.035 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000293225987 436858421 /nfs/dbraw/zinc/85/84/21/436858421.db2.gz BYQHCPUDEJIFFD-UHFFFAOYSA-N 2 1 328.416 0.642 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000293225987 436858424 /nfs/dbraw/zinc/85/84/24/436858424.db2.gz BYQHCPUDEJIFFD-UHFFFAOYSA-N 2 1 328.416 0.642 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000293225987 436858428 /nfs/dbraw/zinc/85/84/28/436858428.db2.gz BYQHCPUDEJIFFD-UHFFFAOYSA-N 2 1 328.416 0.642 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000293225987 436858431 /nfs/dbraw/zinc/85/84/31/436858431.db2.gz BYQHCPUDEJIFFD-UHFFFAOYSA-N 2 1 328.416 0.642 20 30 ECEDMP Cc1ccn2cc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)nc2c1 ZINC000264113437 437017598 /nfs/dbraw/zinc/01/75/98/437017598.db2.gz RRHPMHOVNUSVKY-UHFFFAOYSA-N 2 1 330.436 0.769 20 30 ECEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303715344 437155114 /nfs/dbraw/zinc/15/51/14/437155114.db2.gz SARDEULEEAQFPO-UHFFFAOYSA-N 2 1 341.456 0.234 20 30 ECEDMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC000329182997 437330846 /nfs/dbraw/zinc/33/08/46/437330846.db2.gz FMGCQIDFDBEMSL-DKUMPPAJSA-N 2 1 338.452 0.357 20 30 ECEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000329910970 437430897 /nfs/dbraw/zinc/43/08/97/437430897.db2.gz AGZIRXCLRBQZIU-CQSZACIVSA-N 2 1 325.457 0.091 20 30 ECEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000329910970 437430901 /nfs/dbraw/zinc/43/09/01/437430901.db2.gz AGZIRXCLRBQZIU-CQSZACIVSA-N 2 1 325.457 0.091 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000343737501 437643398 /nfs/dbraw/zinc/64/33/98/437643398.db2.gz IUGTVWUXOUQIKS-INIZCTEOSA-N 2 1 336.480 0.552 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000343795026 437661261 /nfs/dbraw/zinc/66/12/61/437661261.db2.gz WDGHZWHIGACUDV-OAHLLOKOSA-N 2 1 336.480 0.553 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000343928550 437700478 /nfs/dbraw/zinc/70/04/78/437700478.db2.gz VUWYQUVDYPXVFY-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306200 437917174 /nfs/dbraw/zinc/91/71/74/437917174.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 2 1 335.496 0.847 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181164 438201523 /nfs/dbraw/zinc/20/15/23/438201523.db2.gz LCPDKTUOAPGURH-GJZGRUSLSA-N 2 1 340.468 0.819 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350203205 438202162 /nfs/dbraw/zinc/20/21/62/438202162.db2.gz FPLOBCCOEIANHE-AWEZNQCLSA-N 2 1 326.441 0.431 20 30 ECEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350203205 438202167 /nfs/dbraw/zinc/20/21/67/438202167.db2.gz FPLOBCCOEIANHE-AWEZNQCLSA-N 2 1 326.441 0.431 20 30 ECEDMP C#CCNC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000491266587 439358883 /nfs/dbraw/zinc/35/88/83/439358883.db2.gz PSFRQMXSTCVDRU-UHFFFAOYSA-N 2 1 348.491 0.392 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000491427913 439381578 /nfs/dbraw/zinc/38/15/78/439381578.db2.gz MMJUVASIEYYYNS-SJORKVTESA-N 2 1 336.480 0.869 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735984 439457107 /nfs/dbraw/zinc/45/71/07/439457107.db2.gz CHQLYRVVWYQMIB-ZQDZILKHSA-N 2 1 338.452 0.605 20 30 ECEDMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)n1cnc(C#N)n1 ZINC000619613036 546348144 /nfs/dbraw/zinc/34/81/44/546348144.db2.gz MDMMEXCWGMXQFK-HIFRSBDPSA-N 2 1 345.451 0.338 20 30 ECEDMP C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613036 546348148 /nfs/dbraw/zinc/34/81/48/546348148.db2.gz MDMMEXCWGMXQFK-HIFRSBDPSA-N 2 1 345.451 0.338 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000730281327 578304500 /nfs/dbraw/zinc/30/45/00/578304500.db2.gz IUCJVSSYEKZKOL-CVEARBPZSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000730281327 578304501 /nfs/dbraw/zinc/30/45/01/578304501.db2.gz IUCJVSSYEKZKOL-CVEARBPZSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000730281327 578304502 /nfs/dbraw/zinc/30/45/02/578304502.db2.gz IUCJVSSYEKZKOL-CVEARBPZSA-N 2 1 332.448 0.025 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000730281327 578304503 /nfs/dbraw/zinc/30/45/03/578304503.db2.gz IUCJVSSYEKZKOL-CVEARBPZSA-N 2 1 332.448 0.025 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104181489 591052994 /nfs/dbraw/zinc/05/29/94/591052994.db2.gz DSZLEWRAFPRUPQ-INIZCTEOSA-N 2 1 325.501 0.733 20 30 ECEDMP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104181489 591052999 /nfs/dbraw/zinc/05/29/99/591052999.db2.gz DSZLEWRAFPRUPQ-INIZCTEOSA-N 3 1 325.501 0.733 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000104181489 591053003 /nfs/dbraw/zinc/05/30/03/591053003.db2.gz DSZLEWRAFPRUPQ-INIZCTEOSA-N 3 1 325.501 0.733 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000947229648 608793126 /nfs/dbraw/zinc/79/31/26/608793126.db2.gz GHDZPDYNAXAJJN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000947229648 608793128 /nfs/dbraw/zinc/79/31/28/608793128.db2.gz GHDZPDYNAXAJJN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000947229648 608793132 /nfs/dbraw/zinc/79/31/32/608793132.db2.gz GHDZPDYNAXAJJN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000947229648 608793134 /nfs/dbraw/zinc/79/31/34/608793134.db2.gz GHDZPDYNAXAJJN-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083134223 608890879 /nfs/dbraw/zinc/89/08/79/608890879.db2.gz OTWILWVEOTWAIT-OAHLLOKOSA-N 2 1 341.459 0.977 20 30 ECEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083134223 608890882 /nfs/dbraw/zinc/89/08/82/608890882.db2.gz OTWILWVEOTWAIT-OAHLLOKOSA-N 2 1 341.459 0.977 20 30 ECEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925173804 608943505 /nfs/dbraw/zinc/94/35/05/608943505.db2.gz ZIHNKJCZFGBZQM-JKSUJKDBSA-N 2 1 336.505 0.963 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)CC)CC1)C1CC[NH+](C)CC1 ZINC000910884340 609772867 /nfs/dbraw/zinc/77/28/67/609772867.db2.gz BLIYGMBNDBIAIS-MRXNPFEDSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940158039 610224945 /nfs/dbraw/zinc/22/49/45/610224945.db2.gz LXBKUSWELMVBNM-KRWDZBQOSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940158039 610224946 /nfs/dbraw/zinc/22/49/46/610224946.db2.gz LXBKUSWELMVBNM-KRWDZBQOSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000941103425 610538173 /nfs/dbraw/zinc/53/81/73/610538173.db2.gz ZDZVRLYYHAKNNL-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000941103425 610538177 /nfs/dbraw/zinc/53/81/77/610538177.db2.gz ZDZVRLYYHAKNNL-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000941103425 610538179 /nfs/dbraw/zinc/53/81/79/610538179.db2.gz ZDZVRLYYHAKNNL-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000941103425 610538181 /nfs/dbraw/zinc/53/81/81/610538181.db2.gz ZDZVRLYYHAKNNL-IRXDYDNUSA-N 2 1 346.475 0.097 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000941241635 610614293 /nfs/dbraw/zinc/61/42/93/610614293.db2.gz IHKCVQYOKXYKGC-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000941241635 610614295 /nfs/dbraw/zinc/61/42/95/610614295.db2.gz IHKCVQYOKXYKGC-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000941241635 610614297 /nfs/dbraw/zinc/61/42/97/610614297.db2.gz IHKCVQYOKXYKGC-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000941241635 610614300 /nfs/dbraw/zinc/61/43/00/610614300.db2.gz IHKCVQYOKXYKGC-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)CC2(C)C)CC1 ZINC000941238515 610622623 /nfs/dbraw/zinc/62/26/23/610622623.db2.gz YIWVBULQQKRYCB-MRXNPFEDSA-N 2 1 348.491 0.294 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)CC2(C)C)CC1 ZINC000941238515 610622625 /nfs/dbraw/zinc/62/26/25/610622625.db2.gz YIWVBULQQKRYCB-MRXNPFEDSA-N 2 1 348.491 0.294 20 30 ECEDMP C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083125554 611072279 /nfs/dbraw/zinc/07/22/79/611072279.db2.gz VARSAVYXLODZMX-ZDUSSCGKSA-N 2 1 331.468 0.906 20 30 ECEDMP C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083125554 611072282 /nfs/dbraw/zinc/07/22/82/611072282.db2.gz VARSAVYXLODZMX-ZDUSSCGKSA-N 2 1 331.468 0.906 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000929399864 611751345 /nfs/dbraw/zinc/75/13/45/611751345.db2.gz WKHQYKYRWQERHH-INIZCTEOSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000950432141 612016569 /nfs/dbraw/zinc/01/65/69/612016569.db2.gz MXTMEQIMWGAEHU-IAGOWNOFSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000954500113 612335368 /nfs/dbraw/zinc/33/53/68/612335368.db2.gz HWVVRSOCHKSXTL-KRWDZBQOSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCOCC2)C1 ZINC000969866190 732464507 /nfs/dbraw/zinc/46/45/07/732464507.db2.gz UTUVGLNEIDWIRG-QAPCUYQASA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCOCC2)C1 ZINC000969866190 732464510 /nfs/dbraw/zinc/46/45/10/732464510.db2.gz UTUVGLNEIDWIRG-QAPCUYQASA-N 2 1 333.476 0.947 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834462 782305658 /nfs/dbraw/zinc/30/56/58/782305658.db2.gz DCSRRWFFCNIKHL-MJGOQNOKSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000971551829 734740350 /nfs/dbraw/zinc/74/03/50/734740350.db2.gz MHXHEZKWYQYPOU-KURKYZTESA-N 2 1 333.476 0.899 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001023093779 736483467 /nfs/dbraw/zinc/48/34/67/736483467.db2.gz OPCVUFPFJRYYRB-QLFBSQMISA-N 2 1 331.420 0.215 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC001023424112 736806540 /nfs/dbraw/zinc/80/65/40/736806540.db2.gz OGNWXRBJNWNBNL-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599666 737055974 /nfs/dbraw/zinc/05/59/74/737055974.db2.gz WINKHEVSXMNGEH-GOSISDBHSA-N 2 1 337.464 0.588 20 30 ECEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599666 737055978 /nfs/dbraw/zinc/05/59/78/737055978.db2.gz WINKHEVSXMNGEH-GOSISDBHSA-N 2 1 337.464 0.588 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC000972658706 737268901 /nfs/dbraw/zinc/26/89/01/737268901.db2.gz GQBQFUYQHLQVKV-GOSISDBHSA-N 2 1 330.432 0.679 20 30 ECEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cncn3C)C2)C1 ZINC000972658706 737268903 /nfs/dbraw/zinc/26/89/03/737268903.db2.gz GQBQFUYQHLQVKV-GOSISDBHSA-N 2 1 330.432 0.679 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001026140510 740410734 /nfs/dbraw/zinc/41/07/34/740410734.db2.gz WZZCNNMMXUMACR-ZNFSNMQZSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140510 740410736 /nfs/dbraw/zinc/41/07/36/740410736.db2.gz WZZCNNMMXUMACR-ZNFSNMQZSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140510 740410738 /nfs/dbraw/zinc/41/07/38/740410738.db2.gz WZZCNNMMXUMACR-ZNFSNMQZSA-N 2 1 346.475 0.162 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105202498 741465590 /nfs/dbraw/zinc/46/55/90/741465590.db2.gz LIEGZEVFOKIGLF-MRXNPFEDSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105202498 741465592 /nfs/dbraw/zinc/46/55/92/741465592.db2.gz LIEGZEVFOKIGLF-MRXNPFEDSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)C(N)=O)C3)CC1 ZINC000982162074 751651696 /nfs/dbraw/zinc/65/16/96/751651696.db2.gz HFLRGRRTMHFTDV-HNNXBMFYSA-N 2 1 346.475 0.130 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+]([C@@H](C)C(N)=O)C3)CC1 ZINC000982162074 751651699 /nfs/dbraw/zinc/65/16/99/751651699.db2.gz HFLRGRRTMHFTDV-HNNXBMFYSA-N 2 1 346.475 0.130 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749447 741759380 /nfs/dbraw/zinc/75/93/80/741759380.db2.gz ISHKDWNLAVPWLK-BBRMVZONSA-N 2 1 348.472 0.888 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001026749447 741759382 /nfs/dbraw/zinc/75/93/82/741759382.db2.gz ISHKDWNLAVPWLK-BBRMVZONSA-N 2 1 348.472 0.888 20 30 ECEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261957686 743139858 /nfs/dbraw/zinc/13/98/58/743139858.db2.gz JHKDUOJGVUTLPZ-ZDUSSCGKSA-N 2 1 342.509 0.555 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001029002065 743152603 /nfs/dbraw/zinc/15/26/03/743152603.db2.gz JCMNHMMQMCHNDE-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001029002065 743152606 /nfs/dbraw/zinc/15/26/06/743152606.db2.gz JCMNHMMQMCHNDE-INIZCTEOSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC001029004385 743163046 /nfs/dbraw/zinc/16/30/46/743163046.db2.gz VUIFHOKEJVAFCO-OAHLLOKOSA-N 2 1 330.432 0.958 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC001029004385 743163052 /nfs/dbraw/zinc/16/30/52/743163052.db2.gz VUIFHOKEJVAFCO-OAHLLOKOSA-N 2 1 330.432 0.958 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC000999389691 744670102 /nfs/dbraw/zinc/67/01/02/744670102.db2.gz AHNWANIHHAFKTO-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC000999389691 744670105 /nfs/dbraw/zinc/67/01/05/744670105.db2.gz AHNWANIHHAFKTO-WMZOPIPTSA-N 2 1 341.459 0.963 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nncs3)C2)CC1 ZINC000999876294 744983532 /nfs/dbraw/zinc/98/35/32/744983532.db2.gz LGTQXMMSSBDROY-UHFFFAOYSA-N 2 1 347.488 0.962 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC000983708189 745084829 /nfs/dbraw/zinc/08/48/29/745084829.db2.gz IAZQBJPXXRCYML-HHARLNAUSA-N 2 1 348.491 0.598 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999975919 745124419 /nfs/dbraw/zinc/12/44/19/745124419.db2.gz SFDXKVYICVFGPP-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999975919 745124424 /nfs/dbraw/zinc/12/44/24/745124424.db2.gz SFDXKVYICVFGPP-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975919 745124431 /nfs/dbraw/zinc/12/44/31/745124431.db2.gz SFDXKVYICVFGPP-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975919 745124436 /nfs/dbraw/zinc/12/44/36/745124436.db2.gz SFDXKVYICVFGPP-HZPDHXFCSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC001000158606 745298848 /nfs/dbraw/zinc/29/88/48/745298848.db2.gz VKYPUGLILWBJDS-IRXDYDNUSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001000991148 745956741 /nfs/dbraw/zinc/95/67/41/745956741.db2.gz GUBVXAOHSITLPQ-OAHLLOKOSA-N 2 1 331.420 0.495 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001001491839 746429779 /nfs/dbraw/zinc/42/97/79/746429779.db2.gz LLHBXIOPJKNRRT-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001001491839 746429780 /nfs/dbraw/zinc/42/97/80/746429780.db2.gz LLHBXIOPJKNRRT-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000978836942 746783176 /nfs/dbraw/zinc/78/31/76/746783176.db2.gz FNWYWUZCUVCZKK-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000978836942 746783179 /nfs/dbraw/zinc/78/31/79/746783179.db2.gz FNWYWUZCUVCZKK-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000978836942 746783185 /nfs/dbraw/zinc/78/31/85/746783185.db2.gz FNWYWUZCUVCZKK-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000978836942 746783189 /nfs/dbraw/zinc/78/31/89/746783189.db2.gz FNWYWUZCUVCZKK-NXOAAHMSSA-N 2 1 346.475 0.047 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978849462 746795796 /nfs/dbraw/zinc/79/57/96/746795796.db2.gz OSNAZIUKAFTTRS-OSYLJGHBSA-N 2 1 329.448 0.376 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088201926 747733617 /nfs/dbraw/zinc/73/36/17/747733617.db2.gz BQLCRRFSGIJKJV-KSZLIROESA-N 2 1 333.476 0.758 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261691267 752236736 /nfs/dbraw/zinc/23/67/36/752236736.db2.gz IKEOIWDNWQXTMP-JKSUJKDBSA-N 2 1 340.468 0.021 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985475017 748209932 /nfs/dbraw/zinc/20/99/32/748209932.db2.gz JFRPKIHPZXTFMH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985475017 748209939 /nfs/dbraw/zinc/20/99/39/748209939.db2.gz JFRPKIHPZXTFMH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985475017 748209946 /nfs/dbraw/zinc/20/99/46/748209946.db2.gz JFRPKIHPZXTFMH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000985475017 748209953 /nfs/dbraw/zinc/20/99/53/748209953.db2.gz JFRPKIHPZXTFMH-SJORKVTESA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccnn2C)CC1 ZINC000985475375 748216393 /nfs/dbraw/zinc/21/63/93/748216393.db2.gz LGLDFJBQCWFQJS-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccnn2C)CC1 ZINC000985475375 748216399 /nfs/dbraw/zinc/21/63/99/748216399.db2.gz LGLDFJBQCWFQJS-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccnn2C)CC1 ZINC000985475375 748216407 /nfs/dbraw/zinc/21/64/07/748216407.db2.gz LGLDFJBQCWFQJS-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccnn2C)CC1 ZINC000985475375 748216413 /nfs/dbraw/zinc/21/64/13/748216413.db2.gz LGLDFJBQCWFQJS-SFHVURJKSA-N 2 1 343.475 0.941 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001051348712 761927810 /nfs/dbraw/zinc/92/78/10/761927810.db2.gz DZWFZCUYNKXALB-BRWVUGGUSA-N 2 1 348.491 0.838 20 30 ECEDMP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262848338 749905519 /nfs/dbraw/zinc/90/55/19/749905519.db2.gz YYJLVOARLIGNJS-HNNXBMFYSA-N 2 1 341.459 0.977 20 30 ECEDMP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262848338 749905524 /nfs/dbraw/zinc/90/55/24/749905524.db2.gz YYJLVOARLIGNJS-HNNXBMFYSA-N 2 1 341.459 0.977 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncccn3)[C@@H]2C)CC1 ZINC000987578951 750980727 /nfs/dbraw/zinc/98/07/27/750980727.db2.gz ZBGAHADGGSCFHK-RDJZCZTQSA-N 2 1 341.459 0.901 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001028118094 751005876 /nfs/dbraw/zinc/00/58/76/751005876.db2.gz WPIUDCAFCXGZQQ-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372443 753677232 /nfs/dbraw/zinc/67/72/32/753677232.db2.gz HFPDFQDDBGLYNK-CQSZACIVSA-N 2 1 332.452 0.669 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001028604056 753901970 /nfs/dbraw/zinc/90/19/70/753901970.db2.gz PJKBCZCLGNVHGD-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001028604056 753901975 /nfs/dbraw/zinc/90/19/75/753901975.db2.gz PJKBCZCLGNVHGD-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001028604056 753901977 /nfs/dbraw/zinc/90/19/77/753901977.db2.gz PJKBCZCLGNVHGD-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001028604056 753901981 /nfs/dbraw/zinc/90/19/81/753901981.db2.gz PJKBCZCLGNVHGD-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001028604056 753901985 /nfs/dbraw/zinc/90/19/85/753901985.db2.gz PJKBCZCLGNVHGD-ROUUACIJSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC000989490880 754023367 /nfs/dbraw/zinc/02/33/67/754023367.db2.gz MAAZXVVKRTXWMC-INIZCTEOSA-N 2 1 346.475 0.403 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC000989490880 754023370 /nfs/dbraw/zinc/02/33/70/754023370.db2.gz MAAZXVVKRTXWMC-INIZCTEOSA-N 2 1 346.475 0.403 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778485 755083839 /nfs/dbraw/zinc/08/38/39/755083839.db2.gz IEXVLWCJGOGXQH-WBVHZDCISA-N 2 1 348.491 0.553 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001009627375 755086331 /nfs/dbraw/zinc/08/63/31/755086331.db2.gz LNEXLCBLKPWHQD-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001009627375 755086337 /nfs/dbraw/zinc/08/63/37/755086337.db2.gz LNEXLCBLKPWHQD-HOCLYGCPSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627828 755087698 /nfs/dbraw/zinc/08/76/98/755087698.db2.gz NSUIZFSQPBCNED-SJLPKXTDSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105669294 755670763 /nfs/dbraw/zinc/67/07/63/755670763.db2.gz QQBQZIMJFKEZLT-PSBWJHGTSA-N 2 1 335.492 0.928 20 30 ECEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070409 756055254 /nfs/dbraw/zinc/05/52/54/756055254.db2.gz HWDWSCJDQDJXNB-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070409 756055260 /nfs/dbraw/zinc/05/52/60/756055260.db2.gz HWDWSCJDQDJXNB-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070409 756055265 /nfs/dbraw/zinc/05/52/65/756055265.db2.gz HWDWSCJDQDJXNB-FNYPPERVSA-N 2 1 331.460 0.958 20 30 ECEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070561 756056028 /nfs/dbraw/zinc/05/60/28/756056028.db2.gz PKVZQNLCNDXGLW-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070561 756056034 /nfs/dbraw/zinc/05/60/34/756056034.db2.gz PKVZQNLCNDXGLW-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070561 756056040 /nfs/dbraw/zinc/05/60/40/756056040.db2.gz PKVZQNLCNDXGLW-FNYPPERVSA-N 2 1 329.444 0.406 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048824557 757115161 /nfs/dbraw/zinc/11/51/61/757115161.db2.gz FHOPSDIDCYFJJK-IYBDPMFKSA-N 2 1 329.448 0.472 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179103 757354500 /nfs/dbraw/zinc/35/45/00/757354500.db2.gz BHGHDROURNMBTB-MRXNPFEDSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210883 757697117 /nfs/dbraw/zinc/69/71/17/757697117.db2.gz HIHVJBAKBWZXDV-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210883 757697123 /nfs/dbraw/zinc/69/71/23/757697123.db2.gz HIHVJBAKBWZXDV-AWEZNQCLSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1=O ZINC000996664070 758385083 /nfs/dbraw/zinc/38/50/83/758385083.db2.gz DPFIEZRORAULNC-KRWDZBQOSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cn(C)nc3C)C2)CC1 ZINC001032205132 759611271 /nfs/dbraw/zinc/61/12/71/759611271.db2.gz PDHWFOAXFYKQFR-UHFFFAOYSA-N 2 1 343.475 0.622 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598351 760550909 /nfs/dbraw/zinc/55/09/09/760550909.db2.gz CGKLEEAGDCBFQL-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC[C@H]3CO1)C2 ZINC001048526095 760664121 /nfs/dbraw/zinc/66/41/21/760664121.db2.gz OHDGUKIFEQASTH-ADHGMGHFSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC001048526095 760664125 /nfs/dbraw/zinc/66/41/25/760664125.db2.gz OHDGUKIFEQASTH-ADHGMGHFSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)C2 ZINC001048526095 760664129 /nfs/dbraw/zinc/66/41/29/760664129.db2.gz OHDGUKIFEQASTH-ADHGMGHFSA-N 2 1 331.460 0.842 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001046850354 763230053 /nfs/dbraw/zinc/23/00/53/763230053.db2.gz SZYCOIXKAKHECT-IBGZPJMESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001046850354 763230060 /nfs/dbraw/zinc/23/00/60/763230060.db2.gz SZYCOIXKAKHECT-IBGZPJMESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001046850573 763231091 /nfs/dbraw/zinc/23/10/91/763231091.db2.gz WRRRQMFJGJVEHC-KBXCAEBGSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001046850573 763231102 /nfs/dbraw/zinc/23/11/02/763231102.db2.gz WRRRQMFJGJVEHC-KBXCAEBGSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1=O ZINC001127674863 763281383 /nfs/dbraw/zinc/28/13/83/763281383.db2.gz MNFXWQGIYLVLBY-GJZGRUSLSA-N 2 1 347.463 0.889 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127680268 763328522 /nfs/dbraw/zinc/32/85/22/763328522.db2.gz UWWGPPRHRRTBSL-KBPBESRZSA-N 2 1 333.436 0.240 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001052037672 763657065 /nfs/dbraw/zinc/65/70/65/763657065.db2.gz PBOGKYGYCDJLRA-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001052037672 763657068 /nfs/dbraw/zinc/65/70/68/763657068.db2.gz PBOGKYGYCDJLRA-MOPGFXCFSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCOC)C3)CC1 ZINC001047209754 763803917 /nfs/dbraw/zinc/80/39/17/763803917.db2.gz WUEIEHHVPCHHOF-SZMVWBNQSA-N 2 1 333.476 0.947 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780616 764541187 /nfs/dbraw/zinc/54/11/87/764541187.db2.gz DWNNHUILKSHSNW-OIISXLGYSA-N 2 1 332.448 0.881 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780616 764541194 /nfs/dbraw/zinc/54/11/94/764541194.db2.gz DWNNHUILKSHSNW-OIISXLGYSA-N 2 1 332.448 0.881 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875556 764610273 /nfs/dbraw/zinc/61/02/73/764610273.db2.gz MVZULCVRFMFPMR-MANSERQUSA-N 2 1 345.487 0.901 20 30 ECEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+]1CCOCC1 ZINC001089875556 764610279 /nfs/dbraw/zinc/61/02/79/764610279.db2.gz MVZULCVRFMFPMR-MANSERQUSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000992209268 765909992 /nfs/dbraw/zinc/90/99/92/765909992.db2.gz UREMCBLGKCTTBC-JCYILVPMSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329218 766125100 /nfs/dbraw/zinc/12/51/00/766125100.db2.gz KOJRIKWTQHRMFK-YOEHRIQHSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001016329218 766125104 /nfs/dbraw/zinc/12/51/04/766125104.db2.gz KOJRIKWTQHRMFK-YOEHRIQHSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555389 766404958 /nfs/dbraw/zinc/40/49/58/766404958.db2.gz MIYIDASZKULPSI-KZNAEPCWSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555389 766404967 /nfs/dbraw/zinc/40/49/67/766404967.db2.gz MIYIDASZKULPSI-KZNAEPCWSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555389 766404973 /nfs/dbraw/zinc/40/49/73/766404973.db2.gz MIYIDASZKULPSI-KZNAEPCWSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555389 766404981 /nfs/dbraw/zinc/40/49/81/766404981.db2.gz MIYIDASZKULPSI-KZNAEPCWSA-N 2 1 333.476 0.968 20 30 ECEDMP C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001031682148 766450097 /nfs/dbraw/zinc/45/00/97/766450097.db2.gz WDKNVBJKRLXMMK-FVQBIDKESA-N 2 1 334.464 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001031682148 766450102 /nfs/dbraw/zinc/45/01/02/766450102.db2.gz WDKNVBJKRLXMMK-FVQBIDKESA-N 2 1 334.464 0.162 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001031682148 766450107 /nfs/dbraw/zinc/45/01/07/766450107.db2.gz WDKNVBJKRLXMMK-FVQBIDKESA-N 2 1 334.464 0.162 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCO)CC1 ZINC001045895480 766477726 /nfs/dbraw/zinc/47/77/26/766477726.db2.gz HZTWKSPSWQCQPM-MSOLQXFVSA-N 2 1 333.476 0.779 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)CC1 ZINC001045896194 766477914 /nfs/dbraw/zinc/47/79/14/766477914.db2.gz XAVVNRVFWMOPTE-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031891 766702228 /nfs/dbraw/zinc/70/22/28/766702228.db2.gz BKXBNPIKODZYBN-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031891 766702231 /nfs/dbraw/zinc/70/22/31/766702231.db2.gz BKXBNPIKODZYBN-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001046031891 766702233 /nfs/dbraw/zinc/70/22/33/766702233.db2.gz BKXBNPIKODZYBN-CEXWTWQISA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+]([C@H](C)C(N)=O)CC3)CC1 ZINC000992515632 766755615 /nfs/dbraw/zinc/75/56/15/766755615.db2.gz ZGXWTSDJSBBIKM-OGWOLHLISA-N 2 1 346.475 0.319 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261996396 767024716 /nfs/dbraw/zinc/02/47/16/767024716.db2.gz SNLBUUHTXXQUNQ-DJIMGWMZSA-N 3 1 334.512 0.024 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261996396 767024727 /nfs/dbraw/zinc/02/47/27/767024727.db2.gz SNLBUUHTXXQUNQ-DJIMGWMZSA-N 2 1 334.512 0.024 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106662964 768573479 /nfs/dbraw/zinc/57/34/79/768573479.db2.gz LPSOORAWGCIUPK-OWCLPIDISA-N 2 1 336.480 0.457 20 30 ECEDMP C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001018266448 769001319 /nfs/dbraw/zinc/00/13/19/769001319.db2.gz OJEVELVQIJQZBB-WCXIOVBPSA-N 2 1 346.475 0.400 20 30 ECEDMP C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055567146 769130268 /nfs/dbraw/zinc/13/02/68/769130268.db2.gz VXQNFROLYCZMAO-QGZVFWFLSA-N 2 1 348.491 0.581 20 30 ECEDMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055642857 769332142 /nfs/dbraw/zinc/33/21/42/769332142.db2.gz PBXMQPHRDIPKAH-AWEZNQCLSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC000993855876 769764392 /nfs/dbraw/zinc/76/43/92/769764392.db2.gz VJRPUPJARWGUJF-HNNXBMFYSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC001018985862 770483156 /nfs/dbraw/zinc/48/31/56/770483156.db2.gz JNLNJJSVDINQFQ-HOCLYGCPSA-N 2 1 330.436 0.086 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC001018985862 770483161 /nfs/dbraw/zinc/48/31/61/770483161.db2.gz JNLNJJSVDINQFQ-HOCLYGCPSA-N 2 1 330.436 0.086 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001018986355 770486838 /nfs/dbraw/zinc/48/68/38/770486838.db2.gz ZRNUXBQCWJHXAK-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001018986355 770486840 /nfs/dbraw/zinc/48/68/40/770486840.db2.gz ZRNUXBQCWJHXAK-IRXDYDNUSA-N 2 1 342.443 0.878 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1=O ZINC001020171993 772240875 /nfs/dbraw/zinc/24/08/75/772240875.db2.gz HWXFPGVVOQYHTJ-OXGONZEZSA-N 2 1 334.464 0.350 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076865 790524079 /nfs/dbraw/zinc/52/40/79/790524079.db2.gz YROABXFJHUHDNT-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076865 790524092 /nfs/dbraw/zinc/52/40/92/790524092.db2.gz YROABXFJHUHDNT-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076865 790524097 /nfs/dbraw/zinc/52/40/97/790524097.db2.gz YROABXFJHUHDNT-BBWFWOEESA-N 2 1 346.479 0.928 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(=O)NC)CC2 ZINC001040731514 783344156 /nfs/dbraw/zinc/34/41/56/783344156.db2.gz LLFXEICUYZOQOP-INIZCTEOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(=O)NC)CC2 ZINC001040731514 783344166 /nfs/dbraw/zinc/34/41/66/783344166.db2.gz LLFXEICUYZOQOP-INIZCTEOSA-N 2 1 346.475 0.145 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403389 783979007 /nfs/dbraw/zinc/97/90/07/783979007.db2.gz RJXLAHFLVIQSMH-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403389 783979015 /nfs/dbraw/zinc/97/90/15/783979015.db2.gz RJXLAHFLVIQSMH-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403389 783979024 /nfs/dbraw/zinc/97/90/24/783979024.db2.gz RJXLAHFLVIQSMH-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403389 783979032 /nfs/dbraw/zinc/97/90/32/783979032.db2.gz RJXLAHFLVIQSMH-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001070970539 784270073 /nfs/dbraw/zinc/27/00/73/784270073.db2.gz KTIJPQPOVPHZBK-QGZVFWFLSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001070970539 784270080 /nfs/dbraw/zinc/27/00/80/784270080.db2.gz KTIJPQPOVPHZBK-QGZVFWFLSA-N 2 1 336.480 0.553 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001070977677 784295352 /nfs/dbraw/zinc/29/53/52/784295352.db2.gz BSOAENHDLCQFCJ-UHFFFAOYSA-N 2 1 348.491 0.841 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001070977677 784295356 /nfs/dbraw/zinc/29/53/56/784295356.db2.gz BSOAENHDLCQFCJ-UHFFFAOYSA-N 2 1 348.491 0.841 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001070655234 784507049 /nfs/dbraw/zinc/50/70/49/784507049.db2.gz AVIZFVHNKGVUJP-HZPDHXFCSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001071243828 784820220 /nfs/dbraw/zinc/82/02/20/784820220.db2.gz LYYDYQGLKBIJQB-QFBILLFUSA-N 2 1 349.475 0.016 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603272 786752283 /nfs/dbraw/zinc/75/22/83/786752283.db2.gz BENKJKYJZMPWQU-MRXNPFEDSA-N 2 1 349.479 0.842 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCOC2)C3)CC1 ZINC001073457495 789865253 /nfs/dbraw/zinc/86/52/53/789865253.db2.gz SPEIBBQAOGPTDR-QGZVFWFLSA-N 2 1 345.487 0.902 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001067008855 792563205 /nfs/dbraw/zinc/56/32/05/792563205.db2.gz AZWLAZFLFHBWND-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001067008855 792563211 /nfs/dbraw/zinc/56/32/11/792563211.db2.gz AZWLAZFLFHBWND-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001067008855 792563216 /nfs/dbraw/zinc/56/32/16/792563216.db2.gz AZWLAZFLFHBWND-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001067008855 792563224 /nfs/dbraw/zinc/56/32/24/792563224.db2.gz AZWLAZFLFHBWND-IRXDYDNUSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266751033 836242303 /nfs/dbraw/zinc/24/23/03/836242303.db2.gz ASLIIEBXAUWNML-JKSUJKDBSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266751033 836242315 /nfs/dbraw/zinc/24/23/15/836242315.db2.gz ASLIIEBXAUWNML-JKSUJKDBSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266751033 836242324 /nfs/dbraw/zinc/24/23/24/836242324.db2.gz ASLIIEBXAUWNML-JKSUJKDBSA-N 2 1 348.491 0.437 20 30 ECEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267026187 836644787 /nfs/dbraw/zinc/64/47/87/836644787.db2.gz AIQYMGMUJCINDP-SFHVURJKSA-N 2 1 329.444 0.959 20 30 ECEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267026187 836644789 /nfs/dbraw/zinc/64/47/89/836644789.db2.gz AIQYMGMUJCINDP-SFHVURJKSA-N 2 1 329.444 0.959 20 30 ECEDMP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254534 837077434 /nfs/dbraw/zinc/07/74/34/837077434.db2.gz UDQJMNFAGNYNEW-LSDHHAIUSA-N 2 1 337.468 0.185 20 30 ECEDMP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC(=O)NCC#N ZINC001267254534 837077447 /nfs/dbraw/zinc/07/74/47/837077447.db2.gz UDQJMNFAGNYNEW-LSDHHAIUSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N[C@H](C)CC)C1 ZINC001267823051 838613977 /nfs/dbraw/zinc/61/39/77/838613977.db2.gz OBHAJQOXAYKMIV-IKGGRYGDSA-N 2 1 348.491 0.579 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N[C@H](C)CC)C1 ZINC001267823051 838613982 /nfs/dbraw/zinc/61/39/82/838613982.db2.gz OBHAJQOXAYKMIV-IKGGRYGDSA-N 2 1 348.491 0.579 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959954 266144796 /nfs/dbraw/zinc/14/47/96/266144796.db2.gz ZQHHCNMVLWANEU-HUUCEWRRSA-N 2 1 347.467 0.585 20 30 ECEDMP CN1CC[NH+]=C1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262681286 436940193 /nfs/dbraw/zinc/94/01/93/436940193.db2.gz WHMPFIFJAYGUEE-MRXNPFEDSA-N 2 1 329.448 0.775 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000275333628 436956006 /nfs/dbraw/zinc/95/60/06/436956006.db2.gz WLMWEPUATWXYJT-UHFFFAOYSA-N 2 1 341.459 0.844 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1 ZINC000264100406 437016223 /nfs/dbraw/zinc/01/62/23/437016223.db2.gz MSZJQLZOEMUYIX-CQSZACIVSA-N 2 1 338.477 0.979 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(O)cc1 ZINC000264101836 437016837 /nfs/dbraw/zinc/01/68/37/437016837.db2.gz OKNMYZKKJORQFN-CQSZACIVSA-N 2 1 333.436 0.511 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(OC)cc1 ZINC000264083184 437017255 /nfs/dbraw/zinc/01/72/55/437017255.db2.gz IDXMCUVUFWHTMA-OAHLLOKOSA-N 2 1 347.463 0.814 20 30 ECEDMP CCOC(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264063461 437014609 /nfs/dbraw/zinc/01/46/09/437014609.db2.gz AFXRBFIZYLXJBU-UHFFFAOYSA-N 2 1 348.447 0.990 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000340826838 437747093 /nfs/dbraw/zinc/74/70/93/437747093.db2.gz OVWNQSQHRHZRCT-JKSUJKDBSA-N 2 1 334.464 0.496 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372331080 438070013 /nfs/dbraw/zinc/07/00/13/438070013.db2.gz NGUKCXFVUUPINH-RRFJBIMHSA-N 2 1 338.452 0.477 20 30 ECEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372331080 438070015 /nfs/dbraw/zinc/07/00/15/438070015.db2.gz NGUKCXFVUUPINH-RRFJBIMHSA-N 2 1 338.452 0.477 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000514668485 438823140 /nfs/dbraw/zinc/82/31/40/438823140.db2.gz DYOXKEDNAHWKPB-QGZVFWFLSA-N 2 1 346.475 0.914 20 30 ECEDMP N#CCCC[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000564914450 438886453 /nfs/dbraw/zinc/88/64/53/438886453.db2.gz XADXNUNSHORSLY-KRWDZBQOSA-N 2 1 344.463 0.731 20 30 ECEDMP C=CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000521634410 439126618 /nfs/dbraw/zinc/12/66/18/439126618.db2.gz UGBOZMMUQNUKNK-UHFFFAOYSA-N 2 1 328.460 0.752 20 30 ECEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000491417817 439380093 /nfs/dbraw/zinc/38/00/93/439380093.db2.gz OUBIHNGYZBGTBD-SFHVURJKSA-N 2 1 329.444 0.872 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000491616028 439412977 /nfs/dbraw/zinc/41/29/77/439412977.db2.gz HWWSBWCNMAYYED-UHFFFAOYSA-N 2 1 333.440 0.026 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000491616028 439412980 /nfs/dbraw/zinc/41/29/80/439412980.db2.gz HWWSBWCNMAYYED-UHFFFAOYSA-N 2 1 333.440 0.026 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000491616028 439412988 /nfs/dbraw/zinc/41/29/88/439412988.db2.gz HWWSBWCNMAYYED-UHFFFAOYSA-N 2 1 333.440 0.026 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000491742370 439438911 /nfs/dbraw/zinc/43/89/11/439438911.db2.gz JIRZZJNAMROFAZ-INIZCTEOSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000491742370 439438916 /nfs/dbraw/zinc/43/89/16/439438916.db2.gz JIRZZJNAMROFAZ-INIZCTEOSA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000491742370 439438918 /nfs/dbraw/zinc/43/89/18/439438918.db2.gz JIRZZJNAMROFAZ-INIZCTEOSA-N 2 1 336.480 0.836 20 30 ECEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437926 439561322 /nfs/dbraw/zinc/56/13/22/439561322.db2.gz LNXXOFFWVBKSBW-HUUCEWRRSA-N 2 1 337.468 0.457 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000171711022 545865304 /nfs/dbraw/zinc/86/53/04/545865304.db2.gz TXGXWSRMFUKGCF-UHFFFAOYSA-N 2 1 337.468 0.100 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668836371 547762707 /nfs/dbraw/zinc/76/27/07/547762707.db2.gz XOWVDUBIDDPKCK-HNNXBMFYSA-N 2 1 336.480 0.742 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310219 548307851 /nfs/dbraw/zinc/30/78/51/548307851.db2.gz KLPCQSDRKNYNAI-MRXNPFEDSA-N 2 1 334.464 0.354 20 30 ECEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000834500953 588904129 /nfs/dbraw/zinc/90/41/29/588904129.db2.gz YKXQNPUFKRSDQC-SJORKVTESA-N 2 1 327.432 0.032 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875182324 590279239 /nfs/dbraw/zinc/27/92/39/590279239.db2.gz KVIKEKDUQJCFLU-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876801909 590416578 /nfs/dbraw/zinc/41/65/78/590416578.db2.gz KHQNBWWQCWATEX-DLBZAZTESA-N 3 1 341.459 0.598 20 30 ECEDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884235028 590784397 /nfs/dbraw/zinc/78/43/97/590784397.db2.gz KYERADFXRZUJGS-XNGIKWSVSA-N 2 1 347.507 0.516 20 30 ECEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000134125613 590794604 /nfs/dbraw/zinc/79/46/04/590794604.db2.gz SGBDKBNUYNHTSN-INIZCTEOSA-N 2 1 325.501 0.462 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000890370804 591153584 /nfs/dbraw/zinc/15/35/84/591153584.db2.gz GKKLLZWXYYAGBV-MSOLQXFVSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000890370804 591153588 /nfs/dbraw/zinc/15/35/88/591153588.db2.gz GKKLLZWXYYAGBV-MSOLQXFVSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370804 591153591 /nfs/dbraw/zinc/15/35/91/591153591.db2.gz GKKLLZWXYYAGBV-MSOLQXFVSA-N 2 1 347.507 0.505 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000890370804 591153592 /nfs/dbraw/zinc/15/35/92/591153592.db2.gz GKKLLZWXYYAGBV-MSOLQXFVSA-N 2 1 347.507 0.505 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC000930010870 611379684 /nfs/dbraw/zinc/37/96/84/611379684.db2.gz VLVBRMZOHIKBJX-BEFAXECRSA-N 2 1 348.491 0.553 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000938171000 609482949 /nfs/dbraw/zinc/48/29/49/609482949.db2.gz RZDPCVSTWPAMED-HOTGVXAUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000938171000 609482951 /nfs/dbraw/zinc/48/29/51/609482951.db2.gz RZDPCVSTWPAMED-HOTGVXAUSA-N 2 1 346.475 0.285 20 30 ECEDMP N#CCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911217233 609827707 /nfs/dbraw/zinc/82/77/07/609827707.db2.gz ZZHONECFVJIZCJ-IYBDPMFKSA-N 2 1 347.463 0.224 20 30 ECEDMP N#CCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911217233 609827710 /nfs/dbraw/zinc/82/77/10/609827710.db2.gz ZZHONECFVJIZCJ-IYBDPMFKSA-N 2 1 347.463 0.224 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636590 610422377 /nfs/dbraw/zinc/42/23/77/610422377.db2.gz OBFBCKYADUCGQS-QZTJIDSGSA-N 2 1 346.519 0.959 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239454 610623170 /nfs/dbraw/zinc/62/31/70/610623170.db2.gz OLIJPIQEPCNHLI-WBVHZDCISA-N 2 1 335.492 0.929 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058061 610636210 /nfs/dbraw/zinc/63/62/10/610636210.db2.gz SLAPKFDOVHJQIL-CVEARBPZSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404336 610720645 /nfs/dbraw/zinc/72/06/45/610720645.db2.gz AFZBVPKHBLNKHL-SFHVURJKSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404336 610720647 /nfs/dbraw/zinc/72/06/47/610720647.db2.gz AFZBVPKHBLNKHL-SFHVURJKSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943517087 610882204 /nfs/dbraw/zinc/88/22/04/610882204.db2.gz OFMXWNKKVYOVIR-NVXWUHKLSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526551 612021102 /nfs/dbraw/zinc/02/11/02/612021102.db2.gz ZSUTUTJOSSUCBO-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526551 612021104 /nfs/dbraw/zinc/02/11/04/612021104.db2.gz ZSUTUTJOSSUCBO-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001024987887 738462419 /nfs/dbraw/zinc/46/24/19/738462419.db2.gz ZGHXVTARHASSHE-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001024987887 738462421 /nfs/dbraw/zinc/46/24/21/738462421.db2.gz ZGHXVTARHASSHE-MSOLQXFVSA-N 2 1 343.475 0.988 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC000969626810 732007829 /nfs/dbraw/zinc/00/78/29/732007829.db2.gz HGJADFPYHKMNCJ-PMPSAXMXSA-N 2 1 334.464 0.448 20 30 ECEDMP C=CCN1CC[C@@H](N(C)[C@H]2CCN(C(=O)CCn3ccnc3)C2)C1=O ZINC000972040948 735546740 /nfs/dbraw/zinc/54/67/40/735546740.db2.gz VOOVXBMQGCIHRR-JKSUJKDBSA-N 2 1 345.447 0.593 20 30 ECEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972431885 736181878 /nfs/dbraw/zinc/18/18/78/736181878.db2.gz WKHWZFHQHBDUNA-JFIYKMOQSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431885 736181884 /nfs/dbraw/zinc/18/18/84/736181884.db2.gz WKHWZFHQHBDUNA-JFIYKMOQSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431885 736181888 /nfs/dbraw/zinc/18/18/88/736181888.db2.gz WKHWZFHQHBDUNA-JFIYKMOQSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431885 736181890 /nfs/dbraw/zinc/18/18/90/736181890.db2.gz WKHWZFHQHBDUNA-JFIYKMOQSA-N 2 1 337.464 0.585 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](CCCO)CCO3)CC1 ZINC000972688004 737380755 /nfs/dbraw/zinc/38/07/55/737380755.db2.gz LMPUERALFUOWOY-LJQANCHMSA-N 2 1 349.475 0.017 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](CCCO)CCO3)CC1 ZINC000972688004 737380758 /nfs/dbraw/zinc/38/07/58/737380758.db2.gz LMPUERALFUOWOY-LJQANCHMSA-N 2 1 349.475 0.017 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001024021850 737626784 /nfs/dbraw/zinc/62/67/84/737626784.db2.gz KVTDAXQTQUZMSM-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001024021850 737626786 /nfs/dbraw/zinc/62/67/86/737626786.db2.gz KVTDAXQTQUZMSM-RDJZCZTQSA-N 2 1 344.463 0.241 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000973410837 739224761 /nfs/dbraw/zinc/22/47/61/739224761.db2.gz VLHYXTZSPJYKAV-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000973410837 739224766 /nfs/dbraw/zinc/22/47/66/739224766.db2.gz VLHYXTZSPJYKAV-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000973410837 739224771 /nfs/dbraw/zinc/22/47/71/739224771.db2.gz VLHYXTZSPJYKAV-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000973410837 739224776 /nfs/dbraw/zinc/22/47/76/739224776.db2.gz VLHYXTZSPJYKAV-VQHPVUNQSA-N 2 1 346.475 0.189 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001025820289 740007231 /nfs/dbraw/zinc/00/72/31/740007231.db2.gz JUYGZIHJZNSZIY-ALYAQQCSSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001025820289 740007234 /nfs/dbraw/zinc/00/72/34/740007234.db2.gz JUYGZIHJZNSZIY-ALYAQQCSSA-N 2 1 346.475 0.304 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)C1=O ZINC001025820289 740007239 /nfs/dbraw/zinc/00/72/39/740007239.db2.gz JUYGZIHJZNSZIY-ALYAQQCSSA-N 2 1 346.475 0.304 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006575708 751537443 /nfs/dbraw/zinc/53/74/43/751537443.db2.gz NUPJXFMCLVFREP-OIISXLGYSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006575708 751537448 /nfs/dbraw/zinc/53/74/48/751537448.db2.gz NUPJXFMCLVFREP-OIISXLGYSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006575708 751537452 /nfs/dbraw/zinc/53/74/52/751537452.db2.gz NUPJXFMCLVFREP-OIISXLGYSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006575708 751537457 /nfs/dbraw/zinc/53/74/57/751537457.db2.gz NUPJXFMCLVFREP-OIISXLGYSA-N 2 1 346.475 0.141 20 30 ECEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104874495 740775541 /nfs/dbraw/zinc/77/55/41/740775541.db2.gz WEWAHTYLKWZPRV-HUUCEWRRSA-N 2 1 337.468 0.042 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1 ZINC001105262132 741588184 /nfs/dbraw/zinc/58/81/84/741588184.db2.gz IPGZIZWYSYSWFE-KRWDZBQOSA-N 2 1 344.463 0.505 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2snnc2C)C1 ZINC001026893972 742039286 /nfs/dbraw/zinc/03/92/86/742039286.db2.gz SLTPCIQAAQZDPF-CABCVRRESA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2snnc2C)C1 ZINC001026893972 742039293 /nfs/dbraw/zinc/03/92/93/742039293.db2.gz SLTPCIQAAQZDPF-CABCVRRESA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nonc2C)C1 ZINC001026894303 742040389 /nfs/dbraw/zinc/04/03/89/742040389.db2.gz ZZIQFQVPLRVGGO-HOCLYGCPSA-N 2 1 331.420 0.414 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nonc2C)C1 ZINC001026894303 742040394 /nfs/dbraw/zinc/04/03/94/742040394.db2.gz ZZIQFQVPLRVGGO-HOCLYGCPSA-N 2 1 331.420 0.414 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001029002375 743155633 /nfs/dbraw/zinc/15/56/33/743155633.db2.gz QGOWHRZTCMWVCW-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997304159 743465877 /nfs/dbraw/zinc/46/58/77/743465877.db2.gz QRYUADNZIWGGPP-HOCLYGCPSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000997304157 743466240 /nfs/dbraw/zinc/46/62/40/743466240.db2.gz QRYUADNZIWGGPP-GOEBONIOSA-N 2 1 334.464 0.306 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1 ZINC000983900105 745475888 /nfs/dbraw/zinc/47/58/88/745475888.db2.gz DWSLJBCJRLTXEK-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1 ZINC000983900105 745475891 /nfs/dbraw/zinc/47/58/91/745475891.db2.gz DWSLJBCJRLTXEK-QAETUUGQSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nncn3C)C2)CC1 ZINC001000991097 745956886 /nfs/dbraw/zinc/95/68/86/745956886.db2.gz GBUWMBXVPTWNGR-INIZCTEOSA-N 2 1 344.463 0.241 20 30 ECEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001001644764 746567022 /nfs/dbraw/zinc/56/70/22/746567022.db2.gz CLNFIJRCTOJGNS-TVRKMHQQSA-N 2 1 331.460 0.701 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC001027694233 746860893 /nfs/dbraw/zinc/86/08/93/746860893.db2.gz UZYSMLRQEKSSOH-DLBZAZTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047250 747145108 /nfs/dbraw/zinc/14/51/08/747145108.db2.gz NTAHROMQYZURFT-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047250 747145112 /nfs/dbraw/zinc/14/51/12/747145112.db2.gz NTAHROMQYZURFT-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047250 747145115 /nfs/dbraw/zinc/14/51/15/747145115.db2.gz NTAHROMQYZURFT-XFHVWQCUSA-N 2 1 329.444 0.263 20 30 ECEDMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303908240 748177147 /nfs/dbraw/zinc/17/71/47/748177147.db2.gz XJILRHSWMVZYTM-CVEARBPZSA-N 2 1 325.501 0.733 20 30 ECEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303908240 748177151 /nfs/dbraw/zinc/17/71/51/748177151.db2.gz XJILRHSWMVZYTM-CVEARBPZSA-N 3 1 325.501 0.733 20 30 ECEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303908240 748177160 /nfs/dbraw/zinc/17/71/60/748177160.db2.gz XJILRHSWMVZYTM-CVEARBPZSA-N 3 1 325.501 0.733 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626108 748739751 /nfs/dbraw/zinc/73/97/51/748739751.db2.gz MGDUHDFJPWNKKO-NVXWUHKLSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001028333244 752400915 /nfs/dbraw/zinc/40/09/15/752400915.db2.gz HMQYMYVVGJOXFX-AEFFLSMTSA-N 2 1 333.476 0.949 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000982777780 753531538 /nfs/dbraw/zinc/53/15/38/753531538.db2.gz HCUIHEJZUNXLNZ-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000982777780 753531540 /nfs/dbraw/zinc/53/15/40/753531540.db2.gz HCUIHEJZUNXLNZ-IRXDYDNUSA-N 2 1 346.475 0.145 20 30 ECEDMP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098681111 753607475 /nfs/dbraw/zinc/60/74/75/753607475.db2.gz OGZJUDIZOSOAQX-HZPDHXFCSA-N 2 1 332.452 0.667 20 30 ECEDMP C=CCC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001105372428 753676312 /nfs/dbraw/zinc/67/63/12/753676312.db2.gz GQNZDFVSEWNJII-UHFFFAOYSA-N 2 1 329.408 0.532 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001028604062 753901657 /nfs/dbraw/zinc/90/16/57/753901657.db2.gz PNEXRWAMQHQNCD-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001028604062 753901658 /nfs/dbraw/zinc/90/16/58/753901658.db2.gz PNEXRWAMQHQNCD-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001028604062 753901665 /nfs/dbraw/zinc/90/16/65/753901665.db2.gz PNEXRWAMQHQNCD-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001028604062 753901674 /nfs/dbraw/zinc/90/16/74/753901674.db2.gz PNEXRWAMQHQNCD-WMZOPIPTSA-N 2 1 341.459 0.821 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001028604091 753901915 /nfs/dbraw/zinc/90/19/15/753901915.db2.gz QLFGSDYCPZECLV-IRXDYDNUSA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001028604091 753901917 /nfs/dbraw/zinc/90/19/17/753901917.db2.gz QLFGSDYCPZECLV-IRXDYDNUSA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001028604091 753901921 /nfs/dbraw/zinc/90/19/21/753901921.db2.gz QLFGSDYCPZECLV-IRXDYDNUSA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001028604091 753901925 /nfs/dbraw/zinc/90/19/25/753901925.db2.gz QLFGSDYCPZECLV-IRXDYDNUSA-N 2 1 329.448 0.419 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001028604091 753901928 /nfs/dbraw/zinc/90/19/28/753901928.db2.gz QLFGSDYCPZECLV-IRXDYDNUSA-N 2 1 329.448 0.419 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCS[C@H](C(C)C)C1 ZINC000261835480 754428184 /nfs/dbraw/zinc/42/81/84/754428184.db2.gz VYYFGHQUNWTVML-CABCVRRESA-N 2 1 327.542 0.881 20 30 ECEDMP CCOC(=O)C1CCN(C(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]C)CC1 ZINC000088665118 754574314 /nfs/dbraw/zinc/57/43/14/754574314.db2.gz ZTYORFOTFGDJSS-HNNXBMFYSA-N 2 1 339.484 0.083 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625590 755083983 /nfs/dbraw/zinc/08/39/83/755083983.db2.gz FONRNUHSWLYQFN-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625590 755083986 /nfs/dbraw/zinc/08/39/86/755083986.db2.gz FONRNUHSWLYQFN-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001009629671 755090275 /nfs/dbraw/zinc/09/02/75/755090275.db2.gz UHIKXYVTYKGJJO-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001009629671 755090283 /nfs/dbraw/zinc/09/02/83/755090283.db2.gz UHIKXYVTYKGJJO-SFHVURJKSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CCN1CCC2(CC1)CN(C(=O)Cc1[nH]cnc1C)C[C@H](C)O2 ZINC001098655382 755628087 /nfs/dbraw/zinc/62/80/87/755628087.db2.gz JYCLGSRUORQNBI-AWEZNQCLSA-N 2 1 330.432 0.976 20 30 ECEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522922 755890177 /nfs/dbraw/zinc/89/01/77/755890177.db2.gz CTLDUFVJUNSXLQ-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522922 755890180 /nfs/dbraw/zinc/89/01/80/755890180.db2.gz CTLDUFVJUNSXLQ-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522922 755890183 /nfs/dbraw/zinc/89/01/83/755890183.db2.gz CTLDUFVJUNSXLQ-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083522922 755890187 /nfs/dbraw/zinc/89/01/87/755890187.db2.gz CTLDUFVJUNSXLQ-ZACQAIPSSA-N 2 1 337.464 0.367 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076590148 756698340 /nfs/dbraw/zinc/69/83/40/756698340.db2.gz YYIJECSTZOJERD-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076590148 756698344 /nfs/dbraw/zinc/69/83/44/756698344.db2.gz YYIJECSTZOJERD-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001076590148 756698346 /nfs/dbraw/zinc/69/83/46/756698346.db2.gz YYIJECSTZOJERD-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001076590148 756698350 /nfs/dbraw/zinc/69/83/50/756698350.db2.gz YYIJECSTZOJERD-JYJNAYRXSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001011268033 757345371 /nfs/dbraw/zinc/34/53/71/757345371.db2.gz FOXGMBDQGMTHBS-IRXDYDNUSA-N 2 1 348.491 0.341 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001011268033 757345384 /nfs/dbraw/zinc/34/53/84/757345384.db2.gz FOXGMBDQGMTHBS-IRXDYDNUSA-N 2 1 348.491 0.341 20 30 ECEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128731 758267809 /nfs/dbraw/zinc/26/78/09/758267809.db2.gz CCSAEYXCERICQT-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128731 758267816 /nfs/dbraw/zinc/26/78/16/758267816.db2.gz CCSAEYXCERICQT-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128731 758267823 /nfs/dbraw/zinc/26/78/23/758267823.db2.gz CCSAEYXCERICQT-BRWVUGGUSA-N 2 1 337.464 0.367 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001077125044 758288156 /nfs/dbraw/zinc/28/81/56/758288156.db2.gz KTQDEERPYDNZIZ-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001077125044 758288164 /nfs/dbraw/zinc/28/81/64/758288164.db2.gz KTQDEERPYDNZIZ-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077125044 758288174 /nfs/dbraw/zinc/28/81/74/758288174.db2.gz KTQDEERPYDNZIZ-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001077125044 758288182 /nfs/dbraw/zinc/28/81/82/758288182.db2.gz KTQDEERPYDNZIZ-BBWFWOEESA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001022220459 758439925 /nfs/dbraw/zinc/43/99/25/758439925.db2.gz FCMIGACMNMSNGZ-BBWFWOEESA-N 2 1 329.448 0.737 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001022220459 758439929 /nfs/dbraw/zinc/43/99/29/758439929.db2.gz FCMIGACMNMSNGZ-BBWFWOEESA-N 2 1 329.448 0.737 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001022220453 758439983 /nfs/dbraw/zinc/43/99/83/758439983.db2.gz DWWKRCJHPBAWEY-XHSDSOJGSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001022220453 758439989 /nfs/dbraw/zinc/43/99/89/758439989.db2.gz DWWKRCJHPBAWEY-XHSDSOJGSA-N 2 1 343.431 0.320 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000996685503 758468307 /nfs/dbraw/zinc/46/83/07/758468307.db2.gz QADYNPCLVTYELC-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000996685503 758468311 /nfs/dbraw/zinc/46/83/11/758468311.db2.gz QADYNPCLVTYELC-KRWDZBQOSA-N 2 1 346.475 0.287 20 30 ECEDMP N#Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC001127778880 758641580 /nfs/dbraw/zinc/64/15/80/758641580.db2.gz HMESXJDPOMIXLD-DOTOQJQBSA-N 2 1 346.406 0.766 20 30 ECEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996766962 758772423 /nfs/dbraw/zinc/77/24/23/758772423.db2.gz RFSMFFJKVZHKEL-JCYILVPMSA-N 2 1 333.480 0.649 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399342 758997152 /nfs/dbraw/zinc/99/71/52/758997152.db2.gz DYQADYBSQJPKGQ-NVXWUHKLSA-N 2 1 332.448 0.889 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399342 758997157 /nfs/dbraw/zinc/99/71/57/758997157.db2.gz DYQADYBSQJPKGQ-NVXWUHKLSA-N 2 1 332.448 0.889 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042672 759504147 /nfs/dbraw/zinc/50/41/47/759504147.db2.gz XOMNZCGRXIWKEU-OWCLPIDISA-N 2 1 338.496 0.701 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050526054 760431158 /nfs/dbraw/zinc/43/11/58/760431158.db2.gz RGKWOCZJYOMZMB-IAGOWNOFSA-N 2 1 331.460 0.797 20 30 ECEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001048546601 760694758 /nfs/dbraw/zinc/69/47/58/760694758.db2.gz FMHMTINRRFZYFC-TWVPMNIGSA-N 2 1 343.471 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001048546601 760694765 /nfs/dbraw/zinc/69/47/65/760694765.db2.gz FMHMTINRRFZYFC-TWVPMNIGSA-N 2 1 343.471 0.842 20 30 ECEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001048546601 760694772 /nfs/dbraw/zinc/69/47/72/760694772.db2.gz FMHMTINRRFZYFC-TWVPMNIGSA-N 2 1 343.471 0.842 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081617 763798835 /nfs/dbraw/zinc/79/88/35/763798835.db2.gz CUTQEHXXXZGOSI-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052091346 763832194 /nfs/dbraw/zinc/83/21/94/763832194.db2.gz AQIHYAOLZFCDEX-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107972 763888595 /nfs/dbraw/zinc/88/85/95/763888595.db2.gz JFNDZXBRYMEJSN-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107972 763888606 /nfs/dbraw/zinc/88/86/06/763888606.db2.gz JFNDZXBRYMEJSN-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001047436185 764338602 /nfs/dbraw/zinc/33/86/02/764338602.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 1 332.448 0.903 20 30 ECEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047436185 764338608 /nfs/dbraw/zinc/33/86/08/764338608.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 1 332.448 0.903 20 30 ECEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001047436185 764338612 /nfs/dbraw/zinc/33/86/12/764338612.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 1 332.448 0.903 20 30 ECEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501406 764526303 /nfs/dbraw/zinc/52/63/03/764526303.db2.gz BXDOJRDHKWKJKY-PVAVHDDUSA-N 2 1 330.432 0.281 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501406 764526308 /nfs/dbraw/zinc/52/63/08/764526308.db2.gz BXDOJRDHKWKJKY-PVAVHDDUSA-N 2 1 330.432 0.281 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937673 764800766 /nfs/dbraw/zinc/80/07/66/764800766.db2.gz WPDVFZHWYMHMDM-FKVWROMMSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937673 764800777 /nfs/dbraw/zinc/80/07/77/764800777.db2.gz WPDVFZHWYMHMDM-FKVWROMMSA-N 2 1 343.471 0.986 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937673 764800787 /nfs/dbraw/zinc/80/07/87/764800787.db2.gz WPDVFZHWYMHMDM-FKVWROMMSA-N 2 1 343.471 0.986 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(CC#N)CC1 ZINC001052988004 765465185 /nfs/dbraw/zinc/46/51/85/765465185.db2.gz UKRHAMWRYZZHHI-FGTMMUONSA-N 2 1 345.491 0.744 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC#N)CC1 ZINC001052988004 765465187 /nfs/dbraw/zinc/46/51/87/765465187.db2.gz UKRHAMWRYZZHHI-FGTMMUONSA-N 2 1 345.491 0.744 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC#N)CC1 ZINC001052988004 765465192 /nfs/dbraw/zinc/46/51/92/765465192.db2.gz UKRHAMWRYZZHHI-FGTMMUONSA-N 2 1 345.491 0.744 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263266 765863987 /nfs/dbraw/zinc/86/39/87/765863987.db2.gz JSWIXAHKHUZBGH-IRXDYDNUSA-N 2 1 349.475 0.729 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263266 765863992 /nfs/dbraw/zinc/86/39/92/765863992.db2.gz JSWIXAHKHUZBGH-IRXDYDNUSA-N 2 1 349.475 0.729 20 30 ECEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455427 768325593 /nfs/dbraw/zinc/32/55/93/768325593.db2.gz STBXINOBPJUYFP-LDBBTLTOSA-N 2 1 331.460 0.557 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335869 766141871 /nfs/dbraw/zinc/14/18/71/766141871.db2.gz GVCGZCKDSKXLHS-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCN(C)C3=O)C2)CC1 ZINC001016335869 766141874 /nfs/dbraw/zinc/14/18/74/766141874.db2.gz GVCGZCKDSKXLHS-IRXDYDNUSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555388 766405116 /nfs/dbraw/zinc/40/51/16/766405116.db2.gz MIYIDASZKULPSI-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555388 766405122 /nfs/dbraw/zinc/40/51/22/766405122.db2.gz MIYIDASZKULPSI-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555388 766405127 /nfs/dbraw/zinc/40/51/27/766405127.db2.gz MIYIDASZKULPSI-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555388 766405136 /nfs/dbraw/zinc/40/51/36/766405136.db2.gz MIYIDASZKULPSI-FGTMMUONSA-N 2 1 333.476 0.968 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046063920 766839695 /nfs/dbraw/zinc/83/96/95/766839695.db2.gz BVLLLZACZXUXGT-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046063920 766839701 /nfs/dbraw/zinc/83/97/01/766839701.db2.gz BVLLLZACZXUXGT-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046063920 766839713 /nfs/dbraw/zinc/83/97/13/766839713.db2.gz BVLLLZACZXUXGT-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046063918 766840408 /nfs/dbraw/zinc/84/04/08/766840408.db2.gz BVLLLZACZXUXGT-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046063918 766840418 /nfs/dbraw/zinc/84/04/18/766840418.db2.gz BVLLLZACZXUXGT-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046063918 766840427 /nfs/dbraw/zinc/84/04/27/766840427.db2.gz BVLLLZACZXUXGT-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031742945 767006460 /nfs/dbraw/zinc/00/64/60/767006460.db2.gz YAWFZMWHOMMYOX-IRXDYDNUSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031742945 767006471 /nfs/dbraw/zinc/00/64/71/767006471.db2.gz YAWFZMWHOMMYOX-IRXDYDNUSA-N 2 1 333.476 0.947 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCO)CC1 ZINC001089736362 767137428 /nfs/dbraw/zinc/13/74/28/767137428.db2.gz VYYBNCVTFRWBMI-KRWDZBQOSA-N 2 1 335.492 0.931 20 30 ECEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666713 768579526 /nfs/dbraw/zinc/57/95/26/768579526.db2.gz RGENMYHJYWSLHB-BZUAXINKSA-N 2 1 336.480 0.315 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001055599982 769225611 /nfs/dbraw/zinc/22/56/11/769225611.db2.gz LCCWTFDPOVXSFE-UHFFFAOYSA-N 2 1 347.463 0.855 20 30 ECEDMP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055602156 769233862 /nfs/dbraw/zinc/23/38/62/769233862.db2.gz RIJMQELSNKTSLS-LSDHHAIUSA-N 2 1 349.479 0.185 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001018986226 770485488 /nfs/dbraw/zinc/48/54/88/770485488.db2.gz WMSNQSNCVLXHFI-IRXDYDNUSA-N 2 1 327.432 0.573 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001018986226 770485492 /nfs/dbraw/zinc/48/54/92/770485492.db2.gz WMSNQSNCVLXHFI-IRXDYDNUSA-N 2 1 327.432 0.573 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)[C@H]2C)CC1 ZINC000994501124 770919790 /nfs/dbraw/zinc/91/97/90/770919790.db2.gz SEGKAMLKWFHHDR-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)[C@H]2C)CC1 ZINC000994501124 770919800 /nfs/dbraw/zinc/91/98/00/770919800.db2.gz SEGKAMLKWFHHDR-GOEBONIOSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC(=O)NC)CC2)CC1 ZINC001045646979 775961277 /nfs/dbraw/zinc/96/12/77/775961277.db2.gz NMFZXIAPIZULKP-UHFFFAOYSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001080008790 777221737 /nfs/dbraw/zinc/22/17/37/777221737.db2.gz DHCAHPFDPMPVRK-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001080008790 777221748 /nfs/dbraw/zinc/22/17/48/777221748.db2.gz DHCAHPFDPMPVRK-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097426 790597094 /nfs/dbraw/zinc/59/70/94/790597094.db2.gz RFVMFHGBYUCDHS-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097426 790597106 /nfs/dbraw/zinc/59/71/06/790597106.db2.gz RFVMFHGBYUCDHS-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097426 790597117 /nfs/dbraw/zinc/59/71/17/790597117.db2.gz RFVMFHGBYUCDHS-XHSDSOJGSA-N 2 1 332.452 0.538 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489304 781618900 /nfs/dbraw/zinc/61/89/00/781618900.db2.gz SWQLZAKDXRDUEA-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489304 781618902 /nfs/dbraw/zinc/61/89/02/781618902.db2.gz SWQLZAKDXRDUEA-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489304 781618904 /nfs/dbraw/zinc/61/89/04/781618904.db2.gz SWQLZAKDXRDUEA-HECZYDGTSA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC)C1 ZINC001070413242 784008760 /nfs/dbraw/zinc/00/87/60/784008760.db2.gz XVHDHUHSGNOXNY-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC)C1 ZINC001070413242 784008767 /nfs/dbraw/zinc/00/87/67/784008767.db2.gz XVHDHUHSGNOXNY-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[NH+](CC)C1 ZINC001070413242 784008775 /nfs/dbraw/zinc/00/87/75/784008775.db2.gz XVHDHUHSGNOXNY-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[NH+](CC)C1 ZINC001070413242 784008777 /nfs/dbraw/zinc/00/87/77/784008777.db2.gz XVHDHUHSGNOXNY-ZBFHGGJFSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001070414278 784012869 /nfs/dbraw/zinc/01/28/69/784012869.db2.gz JBYOTTAUVNWNNG-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001070414278 784012876 /nfs/dbraw/zinc/01/28/76/784012876.db2.gz JBYOTTAUVNWNNG-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001070414278 784012883 /nfs/dbraw/zinc/01/28/83/784012883.db2.gz JBYOTTAUVNWNNG-GDBMZVCRSA-N 2 1 329.448 0.933 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070477491 784159905 /nfs/dbraw/zinc/15/99/05/784159905.db2.gz DAUZACDQUCTBHM-USXIJHARSA-N 2 1 347.463 0.211 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070477491 784159909 /nfs/dbraw/zinc/15/99/09/784159909.db2.gz DAUZACDQUCTBHM-USXIJHARSA-N 2 1 347.463 0.211 20 30 ECEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227337 784785604 /nfs/dbraw/zinc/78/56/04/784785604.db2.gz DFECNMORLSJMCY-VQIMIIECSA-N 2 1 331.460 0.797 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001073563740 786616473 /nfs/dbraw/zinc/61/64/73/786616473.db2.gz IISJAESNRFKFAX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073563740 786616478 /nfs/dbraw/zinc/61/64/78/786616478.db2.gz IISJAESNRFKFAX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073563740 786616482 /nfs/dbraw/zinc/61/64/82/786616482.db2.gz IISJAESNRFKFAX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563740 786616486 /nfs/dbraw/zinc/61/64/86/786616486.db2.gz IISJAESNRFKFAX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563740 786616488 /nfs/dbraw/zinc/61/64/88/786616488.db2.gz IISJAESNRFKFAX-JKSUJKDBSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073740139 787092312 /nfs/dbraw/zinc/09/23/12/787092312.db2.gz BWTZJBSZFSLCBY-IRXDYDNUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740139 787092319 /nfs/dbraw/zinc/09/23/19/787092319.db2.gz BWTZJBSZFSLCBY-IRXDYDNUSA-N 2 1 339.480 0.879 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740139 787092325 /nfs/dbraw/zinc/09/23/25/787092325.db2.gz BWTZJBSZFSLCBY-IRXDYDNUSA-N 2 1 339.480 0.879 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC)CCCO2)CC1 ZINC001073898867 787472932 /nfs/dbraw/zinc/47/29/32/787472932.db2.gz DVFPGLVQNJVNOS-QGZVFWFLSA-N 2 1 337.464 0.185 20 30 ECEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813452 788868074 /nfs/dbraw/zinc/86/80/74/788868074.db2.gz SDWJHSNRCZPCNL-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813452 788868084 /nfs/dbraw/zinc/86/80/84/788868084.db2.gz SDWJHSNRCZPCNL-MRXNPFEDSA-N 2 1 331.464 0.924 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CC)n2CC1 ZINC001069844759 790084765 /nfs/dbraw/zinc/08/47/65/790084765.db2.gz MJKXEULULUTUHS-GJZGRUSLSA-N 2 1 344.463 0.306 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2nnc(C[NH2+]CC)n2CC1 ZINC001069844759 790084771 /nfs/dbraw/zinc/08/47/71/790084771.db2.gz MJKXEULULUTUHS-GJZGRUSLSA-N 2 1 344.463 0.306 20 30 ECEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928935 790201391 /nfs/dbraw/zinc/20/13/91/790201391.db2.gz LWBRSCUZMBXTRU-OAGGEKHMSA-N 2 1 330.436 0.147 20 30 ECEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928935 790201394 /nfs/dbraw/zinc/20/13/94/790201394.db2.gz LWBRSCUZMBXTRU-OAGGEKHMSA-N 2 1 330.436 0.147 20 30 ECEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267557729 837766467 /nfs/dbraw/zinc/76/64/67/837766467.db2.gz LLRANSNOJGUCCU-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267557729 837766471 /nfs/dbraw/zinc/76/64/71/837766471.db2.gz LLRANSNOJGUCCU-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267557729 837766474 /nfs/dbraw/zinc/76/64/74/837766474.db2.gz LLRANSNOJGUCCU-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560378 835988512 /nfs/dbraw/zinc/98/85/12/835988512.db2.gz JYVRTQWTUQMAMJ-NVXWUHKLSA-N 2 1 348.491 0.294 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266591368 836022521 /nfs/dbraw/zinc/02/25/21/836022521.db2.gz IRRZAZGZFBLLKH-VGWMRTNUSA-N 2 1 336.480 0.787 20 30 ECEDMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266666710 836105772 /nfs/dbraw/zinc/10/57/72/836105772.db2.gz AKBBSXAKFWABDX-MRXNPFEDSA-N 2 1 334.395 0.576 20 30 ECEDMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666710 836105781 /nfs/dbraw/zinc/10/57/81/836105781.db2.gz AKBBSXAKFWABDX-MRXNPFEDSA-N 2 1 334.395 0.576 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266712884 836186290 /nfs/dbraw/zinc/18/62/90/836186290.db2.gz HPWCJCQEHLTJJB-SOUVJXGZSA-N 2 1 336.480 0.339 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266751059 836242535 /nfs/dbraw/zinc/24/25/35/836242535.db2.gz BBRGSVXFEDADSQ-IRXDYDNUSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266751059 836242538 /nfs/dbraw/zinc/24/25/38/836242538.db2.gz BBRGSVXFEDADSQ-IRXDYDNUSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266751059 836242552 /nfs/dbraw/zinc/24/25/52/836242552.db2.gz BBRGSVXFEDADSQ-IRXDYDNUSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266790477 836308077 /nfs/dbraw/zinc/30/80/77/836308077.db2.gz HZJQBXCZPWQJSR-IRXDYDNUSA-N 2 1 348.491 0.438 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2nc(C)no2)CC1 ZINC001267155410 836862545 /nfs/dbraw/zinc/86/25/45/836862545.db2.gz RBPAZTDFFJUIQE-CYBMUJFWSA-N 2 1 333.436 0.708 20 30 ECEDMP C#CCNC(=O)C[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001267752722 838474616 /nfs/dbraw/zinc/47/46/16/838474616.db2.gz QAWVCKLBRUPBSO-UHFFFAOYSA-N 2 1 336.480 0.248 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001267752722 838474620 /nfs/dbraw/zinc/47/46/20/838474620.db2.gz QAWVCKLBRUPBSO-UHFFFAOYSA-N 2 1 336.480 0.248 20 30 ECEDMP C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001267752722 838474623 /nfs/dbraw/zinc/47/46/23/838474623.db2.gz QAWVCKLBRUPBSO-UHFFFAOYSA-N 2 1 336.480 0.248 20 30 ECEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105191690 838742904 /nfs/dbraw/zinc/74/29/04/838742904.db2.gz ALABPMUSYDKYBF-MRXNPFEDSA-N 2 1 332.452 0.811 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000330804149 437619039 /nfs/dbraw/zinc/61/90/39/437619039.db2.gz KZRORNOUROHZME-CQSZACIVSA-N 2 1 339.484 0.384 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000330804149 437619042 /nfs/dbraw/zinc/61/90/42/437619042.db2.gz KZRORNOUROHZME-CQSZACIVSA-N 2 1 339.484 0.384 20 30 ECEDMP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)nc(C3CC3)n2)CC1 ZINC000265336950 437108433 /nfs/dbraw/zinc/10/84/33/437108433.db2.gz HTQJRIVLUZKDFS-UHFFFAOYSA-N 2 1 327.432 0.924 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)nc(C3CC3)n2)CC1 ZINC000265336950 437108437 /nfs/dbraw/zinc/10/84/37/437108437.db2.gz HTQJRIVLUZKDFS-UHFFFAOYSA-N 2 1 327.432 0.924 20 30 ECEDMP C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000330625600 437571506 /nfs/dbraw/zinc/57/15/06/437571506.db2.gz HSDDCGGHMUCMCO-SJORKVTESA-N 2 1 335.496 0.706 20 30 ECEDMP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1N1CCN(C)CC1 ZINC000330625600 437571508 /nfs/dbraw/zinc/57/15/08/437571508.db2.gz HSDDCGGHMUCMCO-SJORKVTESA-N 2 1 335.496 0.706 20 30 ECEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCOCC1 ZINC000190538449 437628623 /nfs/dbraw/zinc/62/86/23/437628623.db2.gz LELHZWYMXBPSKQ-KRWDZBQOSA-N 2 1 332.448 0.924 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640211 438317049 /nfs/dbraw/zinc/31/70/49/438317049.db2.gz MICBGXRGDJCHNP-IBGZPJMESA-N 2 1 346.519 0.959 20 30 ECEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000575060014 438736130 /nfs/dbraw/zinc/73/61/30/438736130.db2.gz TUQMCWIFWJVZJF-KRWDZBQOSA-N 2 1 333.432 0.734 20 30 ECEDMP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595959467 438900109 /nfs/dbraw/zinc/90/01/09/438900109.db2.gz FCPACPSFQOMPRP-DLBZAZTESA-N 2 1 330.432 0.891 20 30 ECEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000491417816 439379632 /nfs/dbraw/zinc/37/96/32/439379632.db2.gz OUBIHNGYZBGTBD-GOSISDBHSA-N 2 1 329.444 0.872 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000491652177 439419004 /nfs/dbraw/zinc/41/90/04/439419004.db2.gz AIMAFOQBEMRIQE-KRWDZBQOSA-N 2 1 335.496 0.363 20 30 ECEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000571551668 439512659 /nfs/dbraw/zinc/51/26/59/439512659.db2.gz SFSGGHUUKMQNKF-LJQANCHMSA-N 2 1 346.475 0.815 20 30 ECEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000600734585 439697786 /nfs/dbraw/zinc/69/77/86/439697786.db2.gz HLZYYYCBWJJHDA-MRXNPFEDSA-N 2 1 338.496 0.673 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636675918 439987898 /nfs/dbraw/zinc/98/78/98/439987898.db2.gz CSBBLFICUZAYIJ-QGZVFWFLSA-N 2 1 348.491 0.886 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664018625 440215732 /nfs/dbraw/zinc/21/57/32/440215732.db2.gz ALPUARZXAAPBTG-KRWDZBQOSA-N 2 1 336.480 0.877 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794339972 578584725 /nfs/dbraw/zinc/58/47/25/578584725.db2.gz TZAXOUABDMKRJZ-INIZCTEOSA-N 2 1 328.416 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794339972 578584726 /nfs/dbraw/zinc/58/47/26/578584726.db2.gz TZAXOUABDMKRJZ-INIZCTEOSA-N 2 1 328.416 0.836 20 30 ECEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000741456061 579774625 /nfs/dbraw/zinc/77/46/25/579774625.db2.gz OKYOAHIMGRBJGM-ZDUSSCGKSA-N 2 1 327.498 0.643 20 30 ECEDMP C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000741456061 579774627 /nfs/dbraw/zinc/77/46/27/579774627.db2.gz OKYOAHIMGRBJGM-ZDUSSCGKSA-N 2 1 327.498 0.643 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000834500950 588904066 /nfs/dbraw/zinc/90/40/66/588904066.db2.gz YKXQNPUFKRSDQC-DLBZAZTESA-N 2 1 327.432 0.032 20 30 ECEDMP C[N@@H+]1CCCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000758097016 586895542 /nfs/dbraw/zinc/89/55/42/586895542.db2.gz ZFECJJIYLABNFE-UHFFFAOYSA-N 2 1 327.498 0.645 20 30 ECEDMP C[N@H+]1CCCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000758097016 586895545 /nfs/dbraw/zinc/89/55/45/586895545.db2.gz ZFECJJIYLABNFE-UHFFFAOYSA-N 2 1 327.498 0.645 20 30 ECEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003259 587464027 /nfs/dbraw/zinc/46/40/27/587464027.db2.gz CNTGEUIPBONTPH-SJORKVTESA-N 2 1 330.432 0.769 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849518836 589338964 /nfs/dbraw/zinc/33/89/64/589338964.db2.gz PEFWZAPTIXUFCM-MSOLQXFVSA-N 2 1 343.475 0.623 20 30 ECEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849518836 589338965 /nfs/dbraw/zinc/33/89/65/589338965.db2.gz PEFWZAPTIXUFCM-MSOLQXFVSA-N 2 1 343.475 0.623 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000855404423 589628961 /nfs/dbraw/zinc/62/89/61/589628961.db2.gz VLQFIIPPXLCFRU-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000855404423 589628962 /nfs/dbraw/zinc/62/89/62/589628962.db2.gz VLQFIIPPXLCFRU-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000855404423 589628965 /nfs/dbraw/zinc/62/89/65/589628965.db2.gz VLQFIIPPXLCFRU-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000855404423 589628967 /nfs/dbraw/zinc/62/89/67/589628967.db2.gz VLQFIIPPXLCFRU-MOPGFXCFSA-N 2 1 341.455 0.967 20 30 ECEDMP N#Cc1ccc(CC[N@@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866711956 589761781 /nfs/dbraw/zinc/76/17/81/589761781.db2.gz PBTFXZSOXKATMG-IXDOHACOSA-N 2 1 326.400 0.968 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000890361418 591150834 /nfs/dbraw/zinc/15/08/34/591150834.db2.gz QFXNFNYVDOBIPG-KZNAEPCWSA-N 3 1 349.523 0.465 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000890361418 591150836 /nfs/dbraw/zinc/15/08/36/591150836.db2.gz QFXNFNYVDOBIPG-KZNAEPCWSA-N 3 1 349.523 0.465 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@H+](CC)C1CC1)C1CC[NH+](C)CC1 ZINC000929936084 611369555 /nfs/dbraw/zinc/36/95/55/611369555.db2.gz SNLKVSVNDUSFKS-UHFFFAOYSA-N 2 1 334.464 0.143 20 30 ECEDMP C#CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000930492437 611435087 /nfs/dbraw/zinc/43/50/87/611435087.db2.gz XTFGDLSVFZNWCM-WMLDXEAASA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731287 611441145 /nfs/dbraw/zinc/44/11/45/611441145.db2.gz KKIFFRMHQLGXAV-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731287 611441147 /nfs/dbraw/zinc/44/11/47/611441147.db2.gz KKIFFRMHQLGXAV-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731287 611441148 /nfs/dbraw/zinc/44/11/48/611441148.db2.gz KKIFFRMHQLGXAV-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731287 611441149 /nfs/dbraw/zinc/44/11/49/611441149.db2.gz KKIFFRMHQLGXAV-FGTMMUONSA-N 2 1 333.476 0.899 20 30 ECEDMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000931484967 611544987 /nfs/dbraw/zinc/54/49/87/611544987.db2.gz WJOWNYBIAGHSKK-UHFFFAOYSA-N 2 1 330.432 0.563 20 30 ECEDMP C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158593317 609055647 /nfs/dbraw/zinc/05/56/47/609055647.db2.gz HEOMZXKDJLTLGT-UHFFFAOYSA-N 2 1 332.514 0.659 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408610 610722357 /nfs/dbraw/zinc/72/23/57/610722357.db2.gz NBAHOPNMVCUHNJ-QZTJIDSGSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408610 610722358 /nfs/dbraw/zinc/72/23/58/610722358.db2.gz NBAHOPNMVCUHNJ-QZTJIDSGSA-N 2 1 344.503 0.713 20 30 ECEDMP CC#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408358 610722407 /nfs/dbraw/zinc/72/24/07/610722407.db2.gz CEAQNXUZDCLATR-MSOLQXFVSA-N 2 1 344.503 0.713 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000943910638 611035068 /nfs/dbraw/zinc/03/50/68/611035068.db2.gz KYUQSDAPKSUYMH-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000943910638 611035070 /nfs/dbraw/zinc/03/50/70/611035070.db2.gz KYUQSDAPKSUYMH-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000943910638 611035075 /nfs/dbraw/zinc/03/50/75/611035075.db2.gz KYUQSDAPKSUYMH-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC000943910638 611035079 /nfs/dbraw/zinc/03/50/79/611035079.db2.gz KYUQSDAPKSUYMH-IXDOHACOSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000950432142 612016783 /nfs/dbraw/zinc/01/67/83/612016783.db2.gz MXTMEQIMWGAEHU-IRXDYDNUSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078075109 782258871 /nfs/dbraw/zinc/25/88/71/782258871.db2.gz ZRIPDZFOQPYXBS-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001078075109 782258879 /nfs/dbraw/zinc/25/88/79/782258879.db2.gz ZRIPDZFOQPYXBS-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001098532770 733051217 /nfs/dbraw/zinc/05/12/17/733051217.db2.gz DIIKEAJLPZDMOF-UHFFFAOYSA-N 2 1 332.448 0.996 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000973105136 738750542 /nfs/dbraw/zinc/75/05/42/738750542.db2.gz WXDYMKDJVGJNSJ-BRWVUGGUSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)CC1 ZINC000970792466 733943447 /nfs/dbraw/zinc/94/34/47/733943447.db2.gz KZQTUAQUZQQUNY-OAHLLOKOSA-N 2 1 347.488 0.882 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)CC1 ZINC001078227310 782523035 /nfs/dbraw/zinc/52/30/35/782523035.db2.gz UJNOFSHLMSUAJY-IAGOWNOFSA-N 2 1 347.484 0.755 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)CC1 ZINC001078227310 782523029 /nfs/dbraw/zinc/52/30/29/782523029.db2.gz UJNOFSHLMSUAJY-IAGOWNOFSA-N 2 1 347.484 0.755 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1=O ZINC001023130954 736526512 /nfs/dbraw/zinc/52/65/12/736526512.db2.gz OUWTVPQQWXAPBD-YYIAUSFCSA-N 2 1 348.491 0.885 20 30 ECEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518426 736538574 /nfs/dbraw/zinc/53/85/74/736538574.db2.gz IVUQLKFBDJVQCD-SJLPKXTDSA-N 2 1 337.464 0.585 20 30 ECEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518426 736538575 /nfs/dbraw/zinc/53/85/75/736538575.db2.gz IVUQLKFBDJVQCD-SJLPKXTDSA-N 2 1 337.464 0.585 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001024021989 737626454 /nfs/dbraw/zinc/62/64/54/737626454.db2.gz NUTYKFGVPSIDAY-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001024021989 737626457 /nfs/dbraw/zinc/62/64/57/737626457.db2.gz NUTYKFGVPSIDAY-WMZOPIPTSA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)N(C)C)CC1 ZINC001024811905 738316460 /nfs/dbraw/zinc/31/64/60/738316460.db2.gz FCKPRYNYMFUKMA-QGZVFWFLSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)N(C)C)CC1 ZINC001024811905 738316463 /nfs/dbraw/zinc/31/64/63/738316463.db2.gz FCKPRYNYMFUKMA-QGZVFWFLSA-N 2 1 348.491 0.391 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554256 739714057 /nfs/dbraw/zinc/71/40/57/739714057.db2.gz AHFSGCXMKVTIHX-HOTGVXAUSA-N 2 1 331.464 0.908 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242830 741543183 /nfs/dbraw/zinc/54/31/83/741543183.db2.gz KJWNFRPGFZUUBU-QGZVFWFLSA-N 2 1 344.463 0.669 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934282 742902806 /nfs/dbraw/zinc/90/28/06/742902806.db2.gz XWJACZHJLFSPAT-HZPDHXFCSA-N 2 1 346.475 0.307 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000997310133 743474647 /nfs/dbraw/zinc/47/46/47/743474647.db2.gz OIZCQDSCIOIQNO-INIZCTEOSA-N 2 1 345.447 0.559 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC001020588749 751850460 /nfs/dbraw/zinc/85/04/60/751850460.db2.gz LAEWNBUMBFORSR-YHUYYLMFSA-N 2 1 334.464 0.352 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998929417 744410791 /nfs/dbraw/zinc/41/07/91/744410791.db2.gz VICUCUVZAGGDEW-JCYILVPMSA-N 2 1 329.448 0.560 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998929417 744410793 /nfs/dbraw/zinc/41/07/93/744410793.db2.gz VICUCUVZAGGDEW-JCYILVPMSA-N 2 1 329.448 0.560 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999392781 744672343 /nfs/dbraw/zinc/67/23/43/744672343.db2.gz URFWZTBOQAAGRQ-ROUUACIJSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999392781 744672347 /nfs/dbraw/zinc/67/23/47/744672347.db2.gz URFWZTBOQAAGRQ-ROUUACIJSA-N 2 1 343.475 0.641 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nonc3C)C2)CC1 ZINC000999870986 744972836 /nfs/dbraw/zinc/97/28/36/744972836.db2.gz RAOMAEFTYBBBSW-UHFFFAOYSA-N 2 1 345.447 0.802 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC000999878234 744987601 /nfs/dbraw/zinc/98/76/01/744987601.db2.gz RDUDMTBMQZPNSN-HNNXBMFYSA-N 2 1 346.475 0.000 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999964187 745107798 /nfs/dbraw/zinc/10/77/98/745107798.db2.gz VWYMLYMIPGCHAU-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964187 745107803 /nfs/dbraw/zinc/10/78/03/745107803.db2.gz VWYMLYMIPGCHAU-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999964187 745107807 /nfs/dbraw/zinc/10/78/07/745107807.db2.gz VWYMLYMIPGCHAU-JKSUJKDBSA-N 2 1 330.436 0.259 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999975921 745124746 /nfs/dbraw/zinc/12/47/46/745124746.db2.gz SFDXKVYICVFGPP-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999975921 745124749 /nfs/dbraw/zinc/12/47/49/745124749.db2.gz SFDXKVYICVFGPP-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975921 745124754 /nfs/dbraw/zinc/12/47/54/745124754.db2.gz SFDXKVYICVFGPP-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975921 745124758 /nfs/dbraw/zinc/12/47/58/745124758.db2.gz SFDXKVYICVFGPP-JKSUJKDBSA-N 2 1 348.451 0.048 20 30 ECEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999987404 745142161 /nfs/dbraw/zinc/14/21/61/745142161.db2.gz NUVBUVNUKULXTA-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987404 745142163 /nfs/dbraw/zinc/14/21/63/745142163.db2.gz NUVBUVNUKULXTA-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999987404 745142167 /nfs/dbraw/zinc/14/21/67/745142167.db2.gz NUVBUVNUKULXTA-SJORKVTESA-N 2 1 344.463 0.649 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CCC[NH+]3CCC4)nn2)C1 ZINC001000002742 745166564 /nfs/dbraw/zinc/16/65/64/745166564.db2.gz LWCOWGDFRLXKLL-MRXNPFEDSA-N 2 1 344.463 0.956 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001000991991 745957253 /nfs/dbraw/zinc/95/72/53/745957253.db2.gz LCKIBHMBTZDQJA-MRXNPFEDSA-N 2 1 344.463 0.241 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203442331 746430824 /nfs/dbraw/zinc/43/08/24/746430824.db2.gz JCGQZNFBMMXNRP-OAHLLOKOSA-N 2 1 338.496 0.990 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC001027694236 746860856 /nfs/dbraw/zinc/86/08/56/746860856.db2.gz UZYSMLRQEKSSOH-SJORKVTESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994177 746973054 /nfs/dbraw/zinc/97/30/54/746973054.db2.gz VFHAVJKUCOXOOW-IXDOHACOSA-N 2 1 329.448 0.227 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994177 746973058 /nfs/dbraw/zinc/97/30/58/746973058.db2.gz VFHAVJKUCOXOOW-IXDOHACOSA-N 2 1 329.448 0.227 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1=O ZINC000984802904 746973293 /nfs/dbraw/zinc/97/32/93/746973293.db2.gz FHKRSZZJIYLJEB-LUKYLMHMSA-N 2 1 348.491 0.600 20 30 ECEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994176 746973680 /nfs/dbraw/zinc/97/36/80/746973680.db2.gz VFHAVJKUCOXOOW-IKGGRYGDSA-N 2 1 329.448 0.227 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994176 746973686 /nfs/dbraw/zinc/97/36/86/746973686.db2.gz VFHAVJKUCOXOOW-IKGGRYGDSA-N 2 1 329.448 0.227 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001002825715 747838170 /nfs/dbraw/zinc/83/81/70/747838170.db2.gz GBFGGGSDGROYQT-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001002825715 747838175 /nfs/dbraw/zinc/83/81/75/747838175.db2.gz GBFGGGSDGROYQT-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001002825715 747838182 /nfs/dbraw/zinc/83/81/82/747838182.db2.gz GBFGGGSDGROYQT-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001002825715 747838191 /nfs/dbraw/zinc/83/81/91/747838191.db2.gz GBFGGGSDGROYQT-WBVHZDCISA-N 2 1 346.475 0.000 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001003628975 748742031 /nfs/dbraw/zinc/74/20/31/748742031.db2.gz VRXBOWIDRICGGN-RDJZCZTQSA-N 2 1 348.491 0.838 20 30 ECEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982652781 753223659 /nfs/dbraw/zinc/22/36/59/753223659.db2.gz ZNUFXGPKGHCUEK-KDURUIRLSA-N 2 1 333.476 0.902 20 30 ECEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982652781 753223664 /nfs/dbraw/zinc/22/36/64/753223664.db2.gz ZNUFXGPKGHCUEK-KDURUIRLSA-N 2 1 333.476 0.902 20 30 ECEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492644 762197379 /nfs/dbraw/zinc/19/73/79/762197379.db2.gz AZJTYGNBJNEYFI-ZWKOTPCHSA-N 2 1 342.443 0.969 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625595 755084096 /nfs/dbraw/zinc/08/40/96/755084096.db2.gz FONRNUHSWLYQFN-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001009625595 755084099 /nfs/dbraw/zinc/08/40/99/755084099.db2.gz FONRNUHSWLYQFN-WBVHZDCISA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001009627804 755087238 /nfs/dbraw/zinc/08/72/38/755087238.db2.gz NJNLVBZAZKMPPS-HZPDHXFCSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001009627804 755087247 /nfs/dbraw/zinc/08/72/47/755087247.db2.gz NJNLVBZAZKMPPS-HZPDHXFCSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCn3cccn3)C2)CC1 ZINC001009627843 755087743 /nfs/dbraw/zinc/08/77/43/755087743.db2.gz OGUIFDHDFHWKGI-SFHVURJKSA-N 2 1 343.475 0.809 20 30 ECEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCO[C@@H](COC)C1 ZINC000261929472 755319028 /nfs/dbraw/zinc/31/90/28/755319028.db2.gz LILFMOYMTPRMFC-UKRRQHHQSA-N 2 1 330.498 0.346 20 30 ECEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944444 757481980 /nfs/dbraw/zinc/48/19/80/757481980.db2.gz YGVZTUCFKNOATE-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944444 757481985 /nfs/dbraw/zinc/48/19/85/757481985.db2.gz YGVZTUCFKNOATE-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944444 757481991 /nfs/dbraw/zinc/48/19/91/757481991.db2.gz YGVZTUCFKNOATE-XFHVWQCUSA-N 2 1 331.460 0.816 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001076999592 757876047 /nfs/dbraw/zinc/87/60/47/757876047.db2.gz XQNNLNXDMACHRJ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001076999592 757876050 /nfs/dbraw/zinc/87/60/50/757876050.db2.gz XQNNLNXDMACHRJ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001076999592 757876059 /nfs/dbraw/zinc/87/60/59/757876059.db2.gz XQNNLNXDMACHRJ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001076999592 757876067 /nfs/dbraw/zinc/87/60/67/757876067.db2.gz XQNNLNXDMACHRJ-KBAYOESNSA-N 2 1 333.476 0.826 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCO)CC[C@@H]32)CC1 ZINC001021738727 757886883 /nfs/dbraw/zinc/88/68/83/757886883.db2.gz CVDGVNHFSIXPGZ-ROUUACIJSA-N 2 1 333.476 0.637 20 30 ECEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049109955 757983457 /nfs/dbraw/zinc/98/34/57/757983457.db2.gz YMJBJFYFEAAPED-CALCHBBNSA-N 2 1 329.448 0.472 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001077124945 758288614 /nfs/dbraw/zinc/28/86/14/758288614.db2.gz JXFDVZWONXYPCL-HOTGVXAUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001077124945 758288624 /nfs/dbraw/zinc/28/86/24/758288624.db2.gz JXFDVZWONXYPCL-HOTGVXAUSA-N 2 1 346.475 0.191 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](C)OC)C[C@@H]3C2)CC1 ZINC001049234399 758401785 /nfs/dbraw/zinc/40/17/85/758401785.db2.gz DSUWGHLPSZUBAH-NXHRZFHOSA-N 2 1 333.476 0.757 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001022220443 758439492 /nfs/dbraw/zinc/43/94/92/758439492.db2.gz DDARABFGSXHWAZ-UXLLHSPISA-N 2 1 329.448 0.297 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001022220443 758439498 /nfs/dbraw/zinc/43/94/98/758439498.db2.gz DDARABFGSXHWAZ-UXLLHSPISA-N 2 1 329.448 0.297 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779488 758622447 /nfs/dbraw/zinc/62/24/47/758622447.db2.gz MIKUMMGQBPHGPL-ZWKOTPCHSA-N 2 1 327.428 0.607 20 30 ECEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001127779264 758645505 /nfs/dbraw/zinc/64/55/05/758645505.db2.gz KIJQQJDJOKYFJS-WBVHZDCISA-N 2 1 346.406 0.766 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484083 758793836 /nfs/dbraw/zinc/79/38/36/758793836.db2.gz DPVKTHSZCLJJOO-DLBZAZTESA-N 2 1 329.448 0.757 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050542277 760461098 /nfs/dbraw/zinc/46/10/98/760461098.db2.gz BXXIFIRIUYJCNP-QGZVFWFLSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001046849177 763226435 /nfs/dbraw/zinc/22/64/35/763226435.db2.gz CCQMBZQLCWUADR-MAUKXSAKSA-N 2 1 334.464 0.176 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001046849854 763229199 /nfs/dbraw/zinc/22/91/99/763229199.db2.gz KFFLELLHYYOWRQ-IBGZPJMESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001046849854 763229207 /nfs/dbraw/zinc/22/92/07/763229207.db2.gz KFFLELLHYYOWRQ-IBGZPJMESA-N 2 1 343.475 0.846 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001046850636 763230950 /nfs/dbraw/zinc/23/09/50/763230950.db2.gz YZDVMPUNAZWLLH-SFHVURJKSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001046850636 763230962 /nfs/dbraw/zinc/23/09/62/763230962.db2.gz YZDVMPUNAZWLLH-SFHVURJKSA-N 2 1 334.464 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001046850581 763231808 /nfs/dbraw/zinc/23/18/08/763231808.db2.gz WVDTUPUQLJRTHB-QFBILLFUSA-N 2 1 346.475 0.143 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127680627 763330132 /nfs/dbraw/zinc/33/01/32/763330132.db2.gz YDHYCFKYFUHIIF-UONOGXRCSA-N 2 1 335.452 0.793 20 30 ECEDMP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027974 763622395 /nfs/dbraw/zinc/62/23/95/763622395.db2.gz LREHVAYJQCSLJP-ZWKOTPCHSA-N 2 1 332.492 0.733 20 30 ECEDMP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027974 763622399 /nfs/dbraw/zinc/62/23/99/763622399.db2.gz LREHVAYJQCSLJP-ZWKOTPCHSA-N 2 1 332.492 0.733 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071540 763771839 /nfs/dbraw/zinc/77/18/39/763771839.db2.gz VIKFTSFNYYHUGR-GBESFXJTSA-N 2 1 346.519 0.959 20 30 ECEDMP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001052122308 763946490 /nfs/dbraw/zinc/94/64/90/763946490.db2.gz RTTXKYWNSLXWCF-QGZVFWFLSA-N 2 1 333.480 0.604 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463326 764419316 /nfs/dbraw/zinc/41/93/16/764419316.db2.gz CSXDCRLYVFIWAG-JBWWOZQKSA-N 2 1 349.475 0.319 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463326 764419322 /nfs/dbraw/zinc/41/93/22/764419322.db2.gz CSXDCRLYVFIWAG-JBWWOZQKSA-N 2 1 349.475 0.319 20 30 ECEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463326 764419330 /nfs/dbraw/zinc/41/93/30/764419330.db2.gz CSXDCRLYVFIWAG-JBWWOZQKSA-N 2 1 349.475 0.319 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001052457870 764542805 /nfs/dbraw/zinc/54/28/05/764542805.db2.gz WHIOUQLYMRFGKL-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC001052457870 764542812 /nfs/dbraw/zinc/54/28/12/764542812.db2.gz WHIOUQLYMRFGKL-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC001052457870 764542815 /nfs/dbraw/zinc/54/28/15/764542815.db2.gz WHIOUQLYMRFGKL-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cncn2C)CC1 ZINC001052457870 764542820 /nfs/dbraw/zinc/54/28/20/764542820.db2.gz WHIOUQLYMRFGKL-WMZOPIPTSA-N 2 1 343.475 0.988 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001052954554 765409726 /nfs/dbraw/zinc/40/97/26/765409726.db2.gz OXDISGJRXMETKL-GDBMZVCRSA-N 2 1 334.464 0.176 20 30 ECEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046012682 766639445 /nfs/dbraw/zinc/63/94/45/766639445.db2.gz BECWBSALECUSAY-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046012682 766639448 /nfs/dbraw/zinc/63/94/48/766639448.db2.gz BECWBSALECUSAY-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012682 766639452 /nfs/dbraw/zinc/63/94/52/766639452.db2.gz BECWBSALECUSAY-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012682 766639453 /nfs/dbraw/zinc/63/94/53/766639453.db2.gz BECWBSALECUSAY-IRXDYDNUSA-N 2 1 336.480 0.112 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000994750868 766686948 /nfs/dbraw/zinc/68/69/48/766686948.db2.gz DLHIAGWSSIXFBR-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000994750868 766686954 /nfs/dbraw/zinc/68/69/54/766686954.db2.gz DLHIAGWSSIXFBR-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000994750868 766686961 /nfs/dbraw/zinc/68/69/61/766686961.db2.gz DLHIAGWSSIXFBR-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000994750868 766686967 /nfs/dbraw/zinc/68/69/67/766686967.db2.gz DLHIAGWSSIXFBR-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035105 766718096 /nfs/dbraw/zinc/71/80/96/766718096.db2.gz DLQJQUQVQZWZPJ-ZWKOTPCHSA-N 2 1 332.492 0.568 20 30 ECEDMP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046077460 766907363 /nfs/dbraw/zinc/90/73/63/766907363.db2.gz WLLLLGOKYGDUCB-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077460 766907370 /nfs/dbraw/zinc/90/73/70/766907370.db2.gz WLLLLGOKYGDUCB-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046077460 766907374 /nfs/dbraw/zinc/90/73/74/766907374.db2.gz WLLLLGOKYGDUCB-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106766403 768905226 /nfs/dbraw/zinc/90/52/26/768905226.db2.gz IEHHZQNOOWZJSF-IAGOWNOFSA-N 2 1 337.464 0.043 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001055594146 769208363 /nfs/dbraw/zinc/20/83/63/769208363.db2.gz GSUYEUVWCBGLLJ-MRXNPFEDSA-N 2 1 338.496 0.990 20 30 ECEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168580 770983030 /nfs/dbraw/zinc/98/30/30/770983030.db2.gz KRNGCEMIOBJCCJ-WJEHIRDRSA-N 2 1 325.840 0.793 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001020213969 772295865 /nfs/dbraw/zinc/29/58/65/772295865.db2.gz BYSWQOJGNYEXPN-QBPKDAKJSA-N 2 1 348.491 0.885 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664755 775994671 /nfs/dbraw/zinc/99/46/71/775994671.db2.gz OSEMSMHCUUDWEG-HOTGVXAUSA-N 2 1 337.464 0.490 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664755 775994674 /nfs/dbraw/zinc/99/46/74/775994674.db2.gz OSEMSMHCUUDWEG-HOTGVXAUSA-N 2 1 337.464 0.490 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001079930509 777104935 /nfs/dbraw/zinc/10/49/35/777104935.db2.gz RYGWXBDPIGOPID-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001079930509 777104939 /nfs/dbraw/zinc/10/49/39/777104939.db2.gz RYGWXBDPIGOPID-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001079930509 777104943 /nfs/dbraw/zinc/10/49/43/777104943.db2.gz RYGWXBDPIGOPID-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079930509 777104946 /nfs/dbraw/zinc/10/49/46/777104946.db2.gz RYGWXBDPIGOPID-KRWDZBQOSA-N 2 1 348.491 0.484 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@@H+](C)CCC)C1 ZINC001080008981 777221175 /nfs/dbraw/zinc/22/11/75/777221175.db2.gz LBIDDEHGCDLYRI-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[N@H+](C)CCC)C1 ZINC001080008981 777221184 /nfs/dbraw/zinc/22/11/84/777221184.db2.gz LBIDDEHGCDLYRI-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](C)CCC)C1 ZINC001080008981 777221191 /nfs/dbraw/zinc/22/11/91/777221191.db2.gz LBIDDEHGCDLYRI-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)C[NH+](C)CCC)C1 ZINC001080008981 777221203 /nfs/dbraw/zinc/22/12/03/777221203.db2.gz LBIDDEHGCDLYRI-KRWDZBQOSA-N 2 1 348.491 0.485 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070208998 783660669 /nfs/dbraw/zinc/66/06/69/783660669.db2.gz IDINQFBTNJHGPD-ILXRZTDVSA-N 2 1 339.403 0.027 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070311006 783816501 /nfs/dbraw/zinc/81/65/01/783816501.db2.gz IPSGPYAYAJBUCW-OAGGEKHMSA-N 2 1 332.452 0.538 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001070332801 783841200 /nfs/dbraw/zinc/84/12/00/783841200.db2.gz WDALVWTZOKCYON-OAGGEKHMSA-N 2 1 332.452 0.680 20 30 ECEDMP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403227 783977658 /nfs/dbraw/zinc/97/76/58/783977658.db2.gz NXCOWRWEICJBGS-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403227 783977666 /nfs/dbraw/zinc/97/76/66/783977666.db2.gz NXCOWRWEICJBGS-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403227 783977670 /nfs/dbraw/zinc/97/76/70/783977670.db2.gz NXCOWRWEICJBGS-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403227 783977678 /nfs/dbraw/zinc/97/76/78/783977678.db2.gz NXCOWRWEICJBGS-HOCLYGCPSA-N 2 1 347.463 0.722 20 30 ECEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070546592 784253841 /nfs/dbraw/zinc/25/38/41/784253841.db2.gz FBEDKOOCVLGCDT-DOTOQJQBSA-N 2 1 347.463 0.212 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227334 784785543 /nfs/dbraw/zinc/78/55/43/784785543.db2.gz DFECNMORLSJMCY-APWZRJJASA-N 2 1 331.460 0.797 20 30 ECEDMP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277116 784922250 /nfs/dbraw/zinc/92/22/50/784922250.db2.gz LDCGGKQAWBBOLE-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277116 784922255 /nfs/dbraw/zinc/92/22/55/784922255.db2.gz LDCGGKQAWBBOLE-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277116 784922257 /nfs/dbraw/zinc/92/22/57/784922257.db2.gz LDCGGKQAWBBOLE-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277116 784922261 /nfs/dbraw/zinc/92/22/61/784922261.db2.gz LDCGGKQAWBBOLE-SJORKVTESA-N 2 1 348.491 0.649 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096251 785660713 /nfs/dbraw/zinc/66/07/13/785660713.db2.gz WAGSGYQMQBUWKG-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001072096251 785660715 /nfs/dbraw/zinc/66/07/15/785660715.db2.gz WAGSGYQMQBUWKG-DOTOQJQBSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NC)C2)CC1 ZINC001072095855 785661189 /nfs/dbraw/zinc/66/11/89/785661189.db2.gz PEMLJKRVIVABSK-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NC)C2)CC1 ZINC001072095855 785661194 /nfs/dbraw/zinc/66/11/94/785661194.db2.gz PEMLJKRVIVABSK-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001073563739 786617517 /nfs/dbraw/zinc/61/75/17/786617517.db2.gz IISJAESNRFKFAX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073563739 786617525 /nfs/dbraw/zinc/61/75/25/786617525.db2.gz IISJAESNRFKFAX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073563739 786617529 /nfs/dbraw/zinc/61/75/29/786617529.db2.gz IISJAESNRFKFAX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563739 786617534 /nfs/dbraw/zinc/61/75/34/786617534.db2.gz IISJAESNRFKFAX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073563739 786617541 /nfs/dbraw/zinc/61/75/41/786617541.db2.gz IISJAESNRFKFAX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896048 787465089 /nfs/dbraw/zinc/46/50/89/787465089.db2.gz JMSRDSGAQZAXDX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896048 787465092 /nfs/dbraw/zinc/46/50/92/787465092.db2.gz JMSRDSGAQZAXDX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896048 787465094 /nfs/dbraw/zinc/46/50/94/787465094.db2.gz JMSRDSGAQZAXDX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896048 787465097 /nfs/dbraw/zinc/46/50/97/787465097.db2.gz JMSRDSGAQZAXDX-HZPDHXFCSA-N 2 1 325.453 0.490 20 30 ECEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813451 788867991 /nfs/dbraw/zinc/86/79/91/788867991.db2.gz SDWJHSNRCZPCNL-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813451 788868004 /nfs/dbraw/zinc/86/80/04/788868004.db2.gz SDWJHSNRCZPCNL-INIZCTEOSA-N 2 1 331.464 0.924 20 30 ECEDMP C#CCN1C[C@@H](NC(=O)c2ccc3cncn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965902 790252580 /nfs/dbraw/zinc/25/25/80/790252580.db2.gz LMZBVYIICXZMND-SJORKVTESA-N 2 1 349.398 0.523 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cncc2C)C1 ZINC001267562240 837774979 /nfs/dbraw/zinc/77/49/79/837774979.db2.gz YVYFUSZYZKKFJA-JKSUJKDBSA-N 2 1 347.463 0.710 20 30 ECEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267562240 837774997 /nfs/dbraw/zinc/77/49/97/837774997.db2.gz YVYFUSZYZKKFJA-JKSUJKDBSA-N 2 1 347.463 0.710 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361873 835772072 /nfs/dbraw/zinc/77/20/72/835772072.db2.gz UEYGQOBAVLOUPL-DOTOQJQBSA-N 2 1 346.475 0.213 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001266361873 835772081 /nfs/dbraw/zinc/77/20/81/835772081.db2.gz UEYGQOBAVLOUPL-DOTOQJQBSA-N 2 1 346.475 0.213 20 30 ECEDMP C#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001266379336 835790249 /nfs/dbraw/zinc/79/02/49/835790249.db2.gz FRGOQWOCRYDCNP-CVEARBPZSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cnc(C)nc1)C1CC1 ZINC001266412235 835817541 /nfs/dbraw/zinc/81/75/41/835817541.db2.gz PBDFYWJRGNKFIW-MSOLQXFVSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cnc(C)nc1)C1CC1 ZINC001266412235 835817547 /nfs/dbraw/zinc/81/75/47/835817547.db2.gz PBDFYWJRGNKFIW-MSOLQXFVSA-N 2 1 341.459 0.867 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCn2cncn2)CC1 ZINC001266440343 835845028 /nfs/dbraw/zinc/84/50/28/835845028.db2.gz PCPGBIGKEWETFJ-UHFFFAOYSA-N 2 1 332.452 0.061 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001266516672 835927936 /nfs/dbraw/zinc/92/79/36/835927936.db2.gz AHAOZHJZRTZZSY-JKSUJKDBSA-N 2 1 348.491 0.696 20 30 ECEDMP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC001266666738 836105697 /nfs/dbraw/zinc/10/56/97/836105697.db2.gz BSADPPHFUCYDGB-KRWDZBQOSA-N 2 1 346.431 0.445 20 30 ECEDMP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001266666738 836105703 /nfs/dbraw/zinc/10/57/03/836105703.db2.gz BSADPPHFUCYDGB-KRWDZBQOSA-N 2 1 346.431 0.445 20 30 ECEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+]1CC#CCOC ZINC001267268672 837105525 /nfs/dbraw/zinc/10/55/25/837105525.db2.gz CWCQIFGTNHVZNV-HZPDHXFCSA-N 2 1 327.444 0.897 20 30 ECEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@H+]1CC#CCOC ZINC001267268672 837105534 /nfs/dbraw/zinc/10/55/34/837105534.db2.gz CWCQIFGTNHVZNV-HZPDHXFCSA-N 2 1 327.444 0.897 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274065 837116135 /nfs/dbraw/zinc/11/61/35/837116135.db2.gz KJSKINQOKKVWGY-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267274065 837116144 /nfs/dbraw/zinc/11/61/44/837116144.db2.gz KJSKINQOKKVWGY-GDBMZVCRSA-N 2 1 334.464 0.047 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267593582 837893294 /nfs/dbraw/zinc/89/32/94/837893294.db2.gz NVDVHYJJXVYMKL-HZPDHXFCSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267593582 837893308 /nfs/dbraw/zinc/89/33/08/837893308.db2.gz NVDVHYJJXVYMKL-HZPDHXFCSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267593582 837893313 /nfs/dbraw/zinc/89/33/13/837893313.db2.gz NVDVHYJJXVYMKL-HZPDHXFCSA-N 2 1 336.480 0.411 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267617392 838039175 /nfs/dbraw/zinc/03/91/75/838039175.db2.gz GJARXPREMAVSDG-LUKYLMHMSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267617392 838039188 /nfs/dbraw/zinc/03/91/88/838039188.db2.gz GJARXPREMAVSDG-LUKYLMHMSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267617392 838039203 /nfs/dbraw/zinc/03/92/03/838039203.db2.gz GJARXPREMAVSDG-LUKYLMHMSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267617392 838039216 /nfs/dbraw/zinc/03/92/16/838039216.db2.gz GJARXPREMAVSDG-LUKYLMHMSA-N 2 1 348.491 0.435 20 30 ECEDMP C#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267617702 838041950 /nfs/dbraw/zinc/04/19/50/838041950.db2.gz GIVJHYFLJYCBSZ-QZTJIDSGSA-N 2 1 334.508 0.816 20 30 ECEDMP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267617702 838041959 /nfs/dbraw/zinc/04/19/59/838041959.db2.gz GIVJHYFLJYCBSZ-QZTJIDSGSA-N 2 1 334.508 0.816 20 30 ECEDMP C[N@H+](CC(=O)NCC#N)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267745905 838451761 /nfs/dbraw/zinc/45/17/61/838451761.db2.gz JWQAYPGVUKCFKD-UHFFFAOYSA-N 2 1 349.479 0.138 20 30 ECEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268063169 839248728 /nfs/dbraw/zinc/24/87/28/839248728.db2.gz IENAOCXCDUEXJH-RHSMWYFYSA-N 2 1 347.463 0.876 20 30 ECEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001268063169 839248741 /nfs/dbraw/zinc/24/87/41/839248741.db2.gz IENAOCXCDUEXJH-RHSMWYFYSA-N 2 1 347.463 0.876 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959955 266143877 /nfs/dbraw/zinc/14/38/77/266143877.db2.gz ZQHHCNMVLWANEU-LSDHHAIUSA-N 2 1 347.467 0.585 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000152377614 436728156 /nfs/dbraw/zinc/72/81/56/436728156.db2.gz IBWWTIPAMISCMA-QGZVFWFLSA-N 2 1 346.475 0.097 20 30 ECEDMP COc1ccc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264113426 437016439 /nfs/dbraw/zinc/01/64/39/437016439.db2.gz RRDPROHSDJLIHY-MRXNPFEDSA-N 2 1 336.436 0.355 20 30 ECEDMP C[NH+]=C(NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)NCc1ccco1 ZINC000264051926 437015061 /nfs/dbraw/zinc/01/50/61/437015061.db2.gz MRIDCCGKPLLIQK-OAHLLOKOSA-N 2 1 335.452 0.887 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000305332129 437163110 /nfs/dbraw/zinc/16/31/10/437163110.db2.gz NCSLYYMEFQBKHW-OAGGEKHMSA-N 2 1 336.480 0.961 20 30 ECEDMP CO[C@@H](C)c1nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000267735318 437328922 /nfs/dbraw/zinc/32/89/22/437328922.db2.gz ZOKGBXVFCCGDMC-LBPRGKRZSA-N 2 1 341.481 0.977 20 30 ECEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289348284 437403919 /nfs/dbraw/zinc/40/39/19/437403919.db2.gz FVPYYXBIWGHZMR-CQSZACIVSA-N 2 1 327.473 0.202 20 30 ECEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000329785669 437413258 /nfs/dbraw/zinc/41/32/58/437413258.db2.gz QCVFIYSVFKLFGI-OFQRWUPVSA-N 2 1 344.525 0.725 20 30 ECEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000329910969 437430109 /nfs/dbraw/zinc/43/01/09/437430109.db2.gz AGZIRXCLRBQZIU-AWEZNQCLSA-N 2 1 325.457 0.091 20 30 ECEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000329910969 437430113 /nfs/dbraw/zinc/43/01/13/437430113.db2.gz AGZIRXCLRBQZIU-AWEZNQCLSA-N 2 1 325.457 0.091 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339300291 437453729 /nfs/dbraw/zinc/45/37/29/437453729.db2.gz BACRQTBDYLCOPZ-SJORKVTESA-N 2 1 348.491 0.838 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000343733024 437639652 /nfs/dbraw/zinc/63/96/52/437639652.db2.gz AHJJJSPCWKVHDV-DOTOQJQBSA-N 2 1 348.491 0.696 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340513249 437679721 /nfs/dbraw/zinc/67/97/21/437679721.db2.gz XJUZBHPUQYDTLP-OAHLLOKOSA-N 2 1 348.491 0.744 20 30 ECEDMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424150684 437894420 /nfs/dbraw/zinc/89/44/20/437894420.db2.gz ZFDYJRVBSANEAS-HZPDHXFCSA-N 2 1 344.463 0.729 20 30 ECEDMP C[C@@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+](C)C ZINC000496260479 438742072 /nfs/dbraw/zinc/74/20/72/438742072.db2.gz CVQIGNVVPHGPRK-QWHCGFSZSA-N 2 1 325.457 0.817 20 30 ECEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951024 438895721 /nfs/dbraw/zinc/89/57/21/438895721.db2.gz VVDJSWSIHBZKTE-QZTJIDSGSA-N 2 1 343.475 0.940 20 30 ECEDMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951024 438895724 /nfs/dbraw/zinc/89/57/24/438895724.db2.gz VVDJSWSIHBZKTE-QZTJIDSGSA-N 2 1 343.475 0.940 20 30 ECEDMP CON1CCC([NH+](C)CC#CC[N@H+](C)C2CCN(OC)CC2)CC1 ZINC000459583284 438977910 /nfs/dbraw/zinc/97/79/10/438977910.db2.gz SQLFSPCTYPBRSP-UHFFFAOYSA-N 2 1 338.496 0.905 20 30 ECEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000491717452 439435684 /nfs/dbraw/zinc/43/56/84/439435684.db2.gz QSTUWQSIXUXEHJ-AWEZNQCLSA-N 2 1 329.400 0.188 20 30 ECEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000491717452 439435685 /nfs/dbraw/zinc/43/56/85/439435685.db2.gz QSTUWQSIXUXEHJ-AWEZNQCLSA-N 2 1 329.400 0.188 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600726534 439695643 /nfs/dbraw/zinc/69/56/43/439695643.db2.gz LXMYRXHSEPQVDW-MRXNPFEDSA-N 2 1 346.431 0.052 20 30 ECEDMP CC[NH+](CC)CCN1c2ccccc2C(=NNC2=[NH+]CCN2)C1=O ZINC000841659543 588997095 /nfs/dbraw/zinc/99/70/95/588997095.db2.gz PZGSWLFROCQMOO-UHFFFAOYSA-N 2 1 328.420 0.628 20 30 ECEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000838623895 586819180 /nfs/dbraw/zinc/81/91/80/586819180.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000838623895 586819183 /nfs/dbraw/zinc/81/91/83/586819183.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000838623895 586819186 /nfs/dbraw/zinc/81/91/86/586819186.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838623895 586819189 /nfs/dbraw/zinc/81/91/89/586819189.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 2 1 349.523 0.751 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838623895 586819192 /nfs/dbraw/zinc/81/91/92/586819192.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 2 1 349.523 0.751 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706393 589759946 /nfs/dbraw/zinc/75/99/46/589759946.db2.gz BKYNUXICFVWIOU-KFWWJZLASA-N 2 1 334.420 0.054 20 30 ECEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706393 589759948 /nfs/dbraw/zinc/75/99/48/589759948.db2.gz BKYNUXICFVWIOU-KFWWJZLASA-N 2 1 334.420 0.054 20 30 ECEDMP COC1CC[NH+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876774166 590413270 /nfs/dbraw/zinc/41/32/70/590413270.db2.gz NMKWXYFYHNQDBI-SFHVURJKSA-N 2 1 342.443 0.972 20 30 ECEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000884219947 590779241 /nfs/dbraw/zinc/77/92/41/590779241.db2.gz BKLIRPOUXMOYBB-ASLPWWTFSA-N 2 1 346.475 0.885 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000890360827 591150448 /nfs/dbraw/zinc/15/04/48/591150448.db2.gz CSMCYXOKFPUKBQ-DLBZAZTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000890360827 591150450 /nfs/dbraw/zinc/15/04/50/591150450.db2.gz CSMCYXOKFPUKBQ-DLBZAZTESA-N 2 1 336.480 0.836 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000890368713 591153153 /nfs/dbraw/zinc/15/31/53/591153153.db2.gz MFURUJQTZYJWRM-IRXDYDNUSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000890368713 591153157 /nfs/dbraw/zinc/15/31/57/591153157.db2.gz MFURUJQTZYJWRM-IRXDYDNUSA-N 2 1 334.464 0.448 20 30 ECEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1CC[NH+](C)CC1 ZINC000929930049 611369032 /nfs/dbraw/zinc/36/90/32/611369032.db2.gz UZYFNZJUZIGRRI-HNNXBMFYSA-N 2 1 336.480 0.389 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628588 611373974 /nfs/dbraw/zinc/37/39/74/611373974.db2.gz ZICFYMBMSFZOAH-NXOAAHMSSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628588 611373976 /nfs/dbraw/zinc/37/39/76/611373976.db2.gz ZICFYMBMSFZOAH-NXOAAHMSSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628588 611373978 /nfs/dbraw/zinc/37/39/78/611373978.db2.gz ZICFYMBMSFZOAH-NXOAAHMSSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+]([C@@H](C)C(N)=O)C[C@H]2CC1 ZINC000946628588 611373979 /nfs/dbraw/zinc/37/39/79/611373979.db2.gz ZICFYMBMSFZOAH-NXOAAHMSSA-N 2 1 346.475 0.128 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000947229645 608792849 /nfs/dbraw/zinc/79/28/49/608792849.db2.gz GHDZPDYNAXAJJN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000947229645 608792853 /nfs/dbraw/zinc/79/28/53/608792853.db2.gz GHDZPDYNAXAJJN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000947229645 608792856 /nfs/dbraw/zinc/79/28/56/608792856.db2.gz GHDZPDYNAXAJJN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000947229645 608792860 /nfs/dbraw/zinc/79/28/60/608792860.db2.gz GHDZPDYNAXAJJN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668919 610459399 /nfs/dbraw/zinc/45/93/99/610459399.db2.gz SHBRQYOZHGRWDN-UHFFFAOYSA-N 2 1 331.464 0.986 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000941241397 610614107 /nfs/dbraw/zinc/61/41/07/610614107.db2.gz BYSSJPUOWXJOSG-IKGGRYGDSA-N 2 1 346.475 0.141 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000941241397 610614109 /nfs/dbraw/zinc/61/41/09/610614109.db2.gz BYSSJPUOWXJOSG-IKGGRYGDSA-N 2 1 346.475 0.141 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058064 610635849 /nfs/dbraw/zinc/63/58/49/610635849.db2.gz SLAPKFDOVHJQIL-JKSUJKDBSA-N 2 1 331.464 0.908 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058063 610636007 /nfs/dbraw/zinc/63/60/07/610636007.db2.gz SLAPKFDOVHJQIL-HZPDHXFCSA-N 2 1 331.464 0.908 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404335 610720697 /nfs/dbraw/zinc/72/06/97/610720697.db2.gz AFZBVPKHBLNKHL-GOSISDBHSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404335 610720699 /nfs/dbraw/zinc/72/06/99/610720699.db2.gz AFZBVPKHBLNKHL-GOSISDBHSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551688 611259722 /nfs/dbraw/zinc/25/97/22/611259722.db2.gz CUPJOAQXIWKSJC-BZSNNMDCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551688 611259724 /nfs/dbraw/zinc/25/97/24/611259724.db2.gz CUPJOAQXIWKSJC-BZSNNMDCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551688 611259727 /nfs/dbraw/zinc/25/97/27/611259727.db2.gz CUPJOAQXIWKSJC-BZSNNMDCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551688 611259730 /nfs/dbraw/zinc/25/97/30/611259730.db2.gz CUPJOAQXIWKSJC-BZSNNMDCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551688 611259732 /nfs/dbraw/zinc/25/97/32/611259732.db2.gz CUPJOAQXIWKSJC-BZSNNMDCSA-N 2 1 343.475 0.669 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)C[N@@H+](CCO)CCO3)CC1 ZINC000949532079 612023371 /nfs/dbraw/zinc/02/33/71/612023371.db2.gz XEDKPUCBUTUFDJ-UHFFFAOYSA-N 2 1 349.475 0.017 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000954630812 612468651 /nfs/dbraw/zinc/46/86/51/612468651.db2.gz KSBBTUXHYWNATK-INIZCTEOSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000954630812 612468652 /nfs/dbraw/zinc/46/86/52/612468652.db2.gz KSBBTUXHYWNATK-INIZCTEOSA-N 2 1 346.475 0.238 20 30 ECEDMP C#CCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000288433729 733003636 /nfs/dbraw/zinc/00/36/36/733003636.db2.gz TVBMINDAJIBWGJ-UHFFFAOYSA-N 2 1 336.461 0.536 20 30 ECEDMP CC1(C)CC[N@@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167236079 733082229 /nfs/dbraw/zinc/08/22/29/733082229.db2.gz HALJKGYYPFUQTQ-UHFFFAOYSA-N 2 1 349.479 0.234 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cc(OC)no3)C2)CC1 ZINC000970791915 733942875 /nfs/dbraw/zinc/94/28/75/733942875.db2.gz BZWARDHOUJDIDO-OAHLLOKOSA-N 2 1 346.431 0.719 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncc(C)cn3)C2)CC1 ZINC001023128609 736524178 /nfs/dbraw/zinc/52/41/78/736524178.db2.gz MDFFPCZWUKMMTF-CALCHBBNSA-N 2 1 341.459 0.867 20 30 ECEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599667 737055940 /nfs/dbraw/zinc/05/59/40/737055940.db2.gz WINKHEVSXMNGEH-SFHVURJKSA-N 2 1 337.464 0.588 20 30 ECEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599667 737055945 /nfs/dbraw/zinc/05/59/45/737055945.db2.gz WINKHEVSXMNGEH-SFHVURJKSA-N 2 1 337.464 0.588 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001006445560 751391433 /nfs/dbraw/zinc/39/14/33/751391433.db2.gz JNPPHJLYOZYEAP-QGZVFWFLSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]21 ZINC001025814080 739996950 /nfs/dbraw/zinc/99/69/50/739996950.db2.gz OPBIUUXSPQBJKY-XCDZQEORSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]21 ZINC001025814080 739996953 /nfs/dbraw/zinc/99/69/53/739996953.db2.gz OPBIUUXSPQBJKY-XCDZQEORSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](OC)C3CCC3)C[C@H]21 ZINC001025814080 739996956 /nfs/dbraw/zinc/99/69/56/739996956.db2.gz OPBIUUXSPQBJKY-XCDZQEORSA-N 2 1 345.487 0.946 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](OC)C3CCC3)C[C@H]21 ZINC001025814080 739996958 /nfs/dbraw/zinc/99/69/58/739996958.db2.gz OPBIUUXSPQBJKY-XCDZQEORSA-N 2 1 345.487 0.946 20 30 ECEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167736669 740815731 /nfs/dbraw/zinc/81/57/31/740815731.db2.gz FRTVJLPXUSPMKA-OAHLLOKOSA-N 2 1 336.480 0.507 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240501 741531485 /nfs/dbraw/zinc/53/14/85/741531485.db2.gz PNTYZNBMTXQUBW-GOEBONIOSA-N 2 1 344.463 0.811 20 30 ECEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240501 741531487 /nfs/dbraw/zinc/53/14/87/741531487.db2.gz PNTYZNBMTXQUBW-GOEBONIOSA-N 2 1 344.463 0.811 20 30 ECEDMP CC#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCCN3C)C2)nn1 ZINC001105268271 741610065 /nfs/dbraw/zinc/61/00/65/741610065.db2.gz HMRYBRLGUUFYIN-INIZCTEOSA-N 2 1 330.436 0.259 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105314568 741737081 /nfs/dbraw/zinc/73/70/81/741737081.db2.gz WTYPXCGPKJJPTQ-UHFFFAOYSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105327168 741812340 /nfs/dbraw/zinc/81/23/40/741812340.db2.gz UTBRZFWAGWGADF-CZUORRHYSA-N 2 1 332.452 0.525 20 30 ECEDMP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)nn1 ZINC001105327168 741812343 /nfs/dbraw/zinc/81/23/43/741812343.db2.gz UTBRZFWAGWGADF-CZUORRHYSA-N 2 1 332.452 0.525 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccn2CC)C1 ZINC001026894272 742040702 /nfs/dbraw/zinc/04/07/02/742040702.db2.gz ZBWCNEOEXXLTJQ-SJORKVTESA-N 2 1 343.475 0.939 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nccn2CC)C1 ZINC001026894272 742040708 /nfs/dbraw/zinc/04/07/08/742040708.db2.gz ZBWCNEOEXXLTJQ-SJORKVTESA-N 2 1 343.475 0.939 20 30 ECEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996801210 742888925 /nfs/dbraw/zinc/88/89/25/742888925.db2.gz FKIHEWYHTJKNKE-WWDZGPRUSA-N 2 1 332.492 0.616 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC001029002805 743155024 /nfs/dbraw/zinc/15/50/24/743155024.db2.gz YVMXVHNRGSHKCZ-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997832807 743842848 /nfs/dbraw/zinc/84/28/48/743842848.db2.gz VTLCJEYHSBOGEK-INIZCTEOSA-N 2 1 347.488 0.964 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997832807 743842852 /nfs/dbraw/zinc/84/28/52/743842852.db2.gz VTLCJEYHSBOGEK-INIZCTEOSA-N 2 1 347.488 0.964 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000998267424 744087740 /nfs/dbraw/zinc/08/77/40/744087740.db2.gz XLYMNQNSJGVVKO-IAGOWNOFSA-N 2 1 348.491 0.553 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000998267432 744087794 /nfs/dbraw/zinc/08/77/94/744087794.db2.gz XLYMNQNSJGVVKO-SJORKVTESA-N 2 1 348.491 0.553 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1 ZINC000982298636 751909132 /nfs/dbraw/zinc/90/91/32/751909132.db2.gz JWUQEWPROBPFAO-YTQUADARSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1 ZINC000982298636 751909136 /nfs/dbraw/zinc/90/91/36/751909136.db2.gz JWUQEWPROBPFAO-YTQUADARSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCO)C[C@]2(C)C1 ZINC000982298636 751909140 /nfs/dbraw/zinc/90/91/40/751909140.db2.gz JWUQEWPROBPFAO-YTQUADARSA-N 2 1 333.476 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCO)C[C@]2(C)C1 ZINC000982298636 751909143 /nfs/dbraw/zinc/90/91/43/751909143.db2.gz JWUQEWPROBPFAO-YTQUADARSA-N 2 1 333.476 0.637 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)nn2)C1 ZINC000999985615 745138303 /nfs/dbraw/zinc/13/83/03/745138303.db2.gz CGKOAYPAMXZNHK-DLBZAZTESA-N 2 1 344.463 0.669 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000983904972 745485070 /nfs/dbraw/zinc/48/50/70/745485070.db2.gz MPFSOYIPBKNKIQ-ZOBUZTSGSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000983904972 745485074 /nfs/dbraw/zinc/48/50/74/745485074.db2.gz MPFSOYIPBKNKIQ-ZOBUZTSGSA-N 2 1 329.448 0.502 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000983906848 745488657 /nfs/dbraw/zinc/48/86/57/745488657.db2.gz SZJRMJNNHCGVQP-SZMVWBNQSA-N 2 1 343.475 0.811 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000983906848 745488662 /nfs/dbraw/zinc/48/86/62/745488662.db2.gz SZJRMJNNHCGVQP-SZMVWBNQSA-N 2 1 343.475 0.811 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](CC)C(N)=O)C2)CC1 ZINC001027693525 746857464 /nfs/dbraw/zinc/85/74/64/746857464.db2.gz DMLWERWUTGPKRC-SJORKVTESA-N 2 1 348.491 0.518 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001002836183 747858771 /nfs/dbraw/zinc/85/87/71/747858771.db2.gz RLEMNXPFVPVZTD-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001002836183 747858780 /nfs/dbraw/zinc/85/87/80/747858780.db2.gz RLEMNXPFVPVZTD-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001002836183 747858789 /nfs/dbraw/zinc/85/87/89/747858789.db2.gz RLEMNXPFVPVZTD-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001002836183 747858793 /nfs/dbraw/zinc/85/87/93/747858793.db2.gz RLEMNXPFVPVZTD-RDJZCZTQSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC(=O)N3CCC3)CC2)CC1 ZINC001004207559 749317360 /nfs/dbraw/zinc/31/73/60/749317360.db2.gz FWVXMXGPMXCVTG-UHFFFAOYSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCN(C)C3=O)C2)CC1 ZINC000980477484 749630254 /nfs/dbraw/zinc/63/02/54/749630254.db2.gz HAWGZICATUHPJE-IAGOWNOFSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nncn3C)[C@@H]2C)CC1 ZINC000987578923 750980704 /nfs/dbraw/zinc/98/07/04/750980704.db2.gz YXESDFKRFSYTSS-HOCLYGCPSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC000981872166 751224981 /nfs/dbraw/zinc/22/49/81/751224981.db2.gz BQBZZAAHJGTAPB-QGZVFWFLSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC000981872166 751224982 /nfs/dbraw/zinc/22/49/82/751224982.db2.gz BQBZZAAHJGTAPB-QGZVFWFLSA-N 2 1 348.491 0.649 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000261712166 752698217 /nfs/dbraw/zinc/69/82/17/752698217.db2.gz VKTJSTUTRYVFQD-XHSDSOJGSA-N 2 1 338.496 0.943 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC001028601049 753876768 /nfs/dbraw/zinc/87/67/68/753876768.db2.gz HWWZKVJZCITOEP-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC001028601049 753876777 /nfs/dbraw/zinc/87/67/77/753876777.db2.gz HWWZKVJZCITOEP-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001028601049 753876782 /nfs/dbraw/zinc/87/67/82/753876782.db2.gz HWWZKVJZCITOEP-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC001028601049 753876793 /nfs/dbraw/zinc/87/67/93/753876793.db2.gz HWWZKVJZCITOEP-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168290506 754027808 /nfs/dbraw/zinc/02/78/08/754027808.db2.gz GXBKBVFOWKIBKI-GASCZTMLSA-N 2 1 349.479 0.375 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001075945262 754309831 /nfs/dbraw/zinc/30/98/31/754309831.db2.gz IQEFVFNYGTZGGU-RDJZCZTQSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCn3cccn3)CC2)CC1 ZINC000989735290 754371900 /nfs/dbraw/zinc/37/19/00/754371900.db2.gz XAVNLHVOEOFJHU-UHFFFAOYSA-N 2 1 343.475 0.763 20 30 ECEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261833494 754417802 /nfs/dbraw/zinc/41/78/02/754417802.db2.gz VPSWUEMLIAQWLA-KFWWJZLASA-N 2 1 325.501 0.601 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C[C@H](C)O2 ZINC001098662792 756340566 /nfs/dbraw/zinc/34/05/66/756340566.db2.gz LYUGWMXIKAKTNH-DLBZAZTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C[C@H](C)O2 ZINC001098662792 756340569 /nfs/dbraw/zinc/34/05/69/756340569.db2.gz LYUGWMXIKAKTNH-DLBZAZTESA-N 2 1 349.475 0.422 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001011315072 757491654 /nfs/dbraw/zinc/49/16/54/757491654.db2.gz XPOLLEWYWWUQGN-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001011315072 757491657 /nfs/dbraw/zinc/49/16/57/757491657.db2.gz XPOLLEWYWWUQGN-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001011315072 757491660 /nfs/dbraw/zinc/49/16/60/757491660.db2.gz XPOLLEWYWWUQGN-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001011315072 757491664 /nfs/dbraw/zinc/49/16/64/757491664.db2.gz XPOLLEWYWWUQGN-IRXDYDNUSA-N 2 1 346.475 0.239 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001077125284 758290195 /nfs/dbraw/zinc/29/01/95/758290195.db2.gz QWMGWTBQFNOALT-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001077125284 758290206 /nfs/dbraw/zinc/29/02/06/758290206.db2.gz QWMGWTBQFNOALT-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001022221524 758443281 /nfs/dbraw/zinc/44/32/81/758443281.db2.gz IESMORWSTLLYFY-UXLLHSPISA-N 2 1 327.432 0.619 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001022221524 758443287 /nfs/dbraw/zinc/44/32/87/758443287.db2.gz IESMORWSTLLYFY-UXLLHSPISA-N 2 1 327.432 0.619 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001022293263 758530385 /nfs/dbraw/zinc/53/03/85/758530385.db2.gz SRCOCCSXCJVHSH-QXSJWSMHSA-N 2 1 334.464 0.494 20 30 ECEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436355 758561944 /nfs/dbraw/zinc/56/19/44/758561944.db2.gz WOZUDOZJGVOZQJ-ZHALLVOQSA-N 2 1 343.475 0.807 20 30 ECEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436355 758561950 /nfs/dbraw/zinc/56/19/50/758561950.db2.gz WOZUDOZJGVOZQJ-ZHALLVOQSA-N 2 1 343.475 0.807 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049608798 758988454 /nfs/dbraw/zinc/98/84/54/758988454.db2.gz FAXUBPKYKWMOPK-VVJOJPPRSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049608798 758988462 /nfs/dbraw/zinc/98/84/62/758988462.db2.gz FAXUBPKYKWMOPK-VVJOJPPRSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001049608798 758988464 /nfs/dbraw/zinc/98/84/64/758988464.db2.gz FAXUBPKYKWMOPK-VVJOJPPRSA-N 2 1 343.471 0.938 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)CC1 ZINC001050542566 760461328 /nfs/dbraw/zinc/46/13/28/760461328.db2.gz HAZCULUUOVKOLC-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598652 760551351 /nfs/dbraw/zinc/55/13/51/760551351.db2.gz NZRITNWDKXCBLO-OHTSDLOESA-N 2 1 343.471 0.797 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001048532787 760672619 /nfs/dbraw/zinc/67/26/19/760672619.db2.gz GQSALUDANCBOOB-KSWRQPAISA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001048532787 760672620 /nfs/dbraw/zinc/67/26/20/760672620.db2.gz GQSALUDANCBOOB-KSWRQPAISA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001048532787 760672625 /nfs/dbraw/zinc/67/26/25/760672625.db2.gz GQSALUDANCBOOB-KSWRQPAISA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001048532787 760672627 /nfs/dbraw/zinc/67/26/27/760672627.db2.gz GQSALUDANCBOOB-KSWRQPAISA-N 2 1 346.475 0.317 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995926501 760788827 /nfs/dbraw/zinc/78/88/27/760788827.db2.gz VWXMSQQRBQBBQU-IRXDYDNUSA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995926501 760788832 /nfs/dbraw/zinc/78/88/32/760788832.db2.gz VWXMSQQRBQBBQU-IRXDYDNUSA-N 2 1 343.475 0.844 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995927686 760791520 /nfs/dbraw/zinc/79/15/20/760791520.db2.gz YRODCAAAQUNZHC-JKSUJKDBSA-N 2 1 344.463 0.239 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995927686 760791524 /nfs/dbraw/zinc/79/15/24/760791524.db2.gz YRODCAAAQUNZHC-JKSUJKDBSA-N 2 1 344.463 0.239 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]3C2)C1=O ZINC001048723761 761045108 /nfs/dbraw/zinc/04/51/08/761045108.db2.gz OTJUJDSEAFCMFU-TWMKSMIVSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723761 761045119 /nfs/dbraw/zinc/04/51/19/761045119.db2.gz OTJUJDSEAFCMFU-TWMKSMIVSA-N 2 1 346.475 0.258 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]3C2)C1=O ZINC001048723761 761045129 /nfs/dbraw/zinc/04/51/29/761045129.db2.gz OTJUJDSEAFCMFU-TWMKSMIVSA-N 2 1 346.475 0.258 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001051254093 761773436 /nfs/dbraw/zinc/77/34/36/761773436.db2.gz DUUFAZIRMFQRMD-SJLPKXTDSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001051254093 761773441 /nfs/dbraw/zinc/77/34/41/761773441.db2.gz DUUFAZIRMFQRMD-SJLPKXTDSA-N 2 1 349.475 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046849475 763226175 /nfs/dbraw/zinc/22/61/75/763226175.db2.gz FWVOLMRZCPXRKW-LJQANCHMSA-N 2 1 343.475 0.809 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127680273 763328885 /nfs/dbraw/zinc/32/88/85/763328885.db2.gz UWWGPPRHRRTBSL-UONOGXRCSA-N 2 1 333.436 0.240 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127680625 763329414 /nfs/dbraw/zinc/32/94/14/763329414.db2.gz YDHYCFKYFUHIIF-KBPBESRZSA-N 2 1 335.452 0.793 20 30 ECEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001051930124 763362167 /nfs/dbraw/zinc/36/21/67/763362167.db2.gz IWFDKPNOXVQZEJ-ZWKOTPCHSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107970 763888649 /nfs/dbraw/zinc/88/86/49/763888649.db2.gz JFNDZXBRYMEJSN-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107970 763888655 /nfs/dbraw/zinc/88/86/55/763888655.db2.gz JFNDZXBRYMEJSN-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107938 763888798 /nfs/dbraw/zinc/88/87/98/763888798.db2.gz IAOFESISDZHWLF-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001047529502 764609881 /nfs/dbraw/zinc/60/98/81/764609881.db2.gz DRLNERCQPRAPQE-OALUTQOASA-N 2 1 343.471 0.931 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796838 765335220 /nfs/dbraw/zinc/33/52/20/765335220.db2.gz RODXQJJIGZHLDY-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001015796838 765335222 /nfs/dbraw/zinc/33/52/22/765335222.db2.gz RODXQJJIGZHLDY-IAGOWNOFSA-N 2 1 348.491 0.696 20 30 ECEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106112869 765941673 /nfs/dbraw/zinc/94/16/73/765941673.db2.gz RTVHVNADCWRLOY-BZUAXINKSA-N 2 1 349.479 0.183 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029976 766696699 /nfs/dbraw/zinc/69/66/99/766696699.db2.gz HDILDOQODPLFLE-QZTJIDSGSA-N 2 1 330.476 0.180 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCCO)CC3)CC1 ZINC000992512452 766750335 /nfs/dbraw/zinc/75/03/35/766750335.db2.gz SIKXRKHKQRCRAD-MJGOQNOKSA-N 2 1 333.476 0.827 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C[C@H](C)O)CC3)CC1 ZINC000992513878 766754366 /nfs/dbraw/zinc/75/43/66/766754366.db2.gz WZZBKRRYXQZGSH-WDYCEAGBSA-N 2 1 333.476 0.826 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001046042244 766755354 /nfs/dbraw/zinc/75/53/54/766755354.db2.gz XTRFRMSZOVRRFE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001046042244 766755355 /nfs/dbraw/zinc/75/53/55/766755355.db2.gz XTRFRMSZOVRRFE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046042244 766755356 /nfs/dbraw/zinc/75/53/56/766755356.db2.gz XTRFRMSZOVRRFE-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064497 766842838 /nfs/dbraw/zinc/84/28/38/766842838.db2.gz OPXYHNLBAWDUTN-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064497 766842849 /nfs/dbraw/zinc/84/28/49/766842849.db2.gz OPXYHNLBAWDUTN-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064497 766842860 /nfs/dbraw/zinc/84/28/60/766842860.db2.gz OPXYHNLBAWDUTN-ROUUACIJSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001046064498 766843333 /nfs/dbraw/zinc/84/33/33/766843333.db2.gz OPXYHNLBAWDUTN-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064498 766843338 /nfs/dbraw/zinc/84/33/38/766843338.db2.gz OPXYHNLBAWDUTN-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064498 766843344 /nfs/dbraw/zinc/84/33/44/766843344.db2.gz OPXYHNLBAWDUTN-ZWKOTPCHSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064496 766844771 /nfs/dbraw/zinc/84/47/71/766844771.db2.gz OPXYHNLBAWDUTN-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064496 766844781 /nfs/dbraw/zinc/84/47/81/766844781.db2.gz OPXYHNLBAWDUTN-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064496 766844789 /nfs/dbraw/zinc/84/47/89/766844789.db2.gz OPXYHNLBAWDUTN-QZTJIDSGSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC001046076155 766901333 /nfs/dbraw/zinc/90/13/33/766901333.db2.gz JORUWIPQPXTGAJ-MRXNPFEDSA-N 2 1 341.459 0.613 20 30 ECEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085162 766926312 /nfs/dbraw/zinc/92/63/12/766926312.db2.gz NAFVKVDXMNUVTQ-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085162 766926313 /nfs/dbraw/zinc/92/63/13/766926313.db2.gz NAFVKVDXMNUVTQ-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085162 766926314 /nfs/dbraw/zinc/92/63/14/766926314.db2.gz NAFVKVDXMNUVTQ-QZTJIDSGSA-N 2 1 332.492 0.713 20 30 ECEDMP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055572298 769148494 /nfs/dbraw/zinc/14/84/94/769148494.db2.gz CATQAXLECRSFQH-MRXNPFEDSA-N 2 1 348.491 0.294 20 30 ECEDMP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001055632331 769306430 /nfs/dbraw/zinc/30/64/30/769306430.db2.gz SAJNCSQCCAEBBO-LSDHHAIUSA-N 2 1 349.479 0.185 20 30 ECEDMP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001055645220 769336033 /nfs/dbraw/zinc/33/60/33/769336033.db2.gz ONLIZEBJDUCDJS-CABCVRRESA-N 2 1 349.479 0.327 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC000993851295 769754594 /nfs/dbraw/zinc/75/45/94/769754594.db2.gz CYLLDTRXVXGDFA-UHFFFAOYSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000993882185 769780265 /nfs/dbraw/zinc/78/02/65/769780265.db2.gz UALNWCBLCHMQAU-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000993882185 769780286 /nfs/dbraw/zinc/78/02/86/769780286.db2.gz UALNWCBLCHMQAU-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000993882185 769780294 /nfs/dbraw/zinc/78/02/94/769780294.db2.gz UALNWCBLCHMQAU-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000993882185 769780304 /nfs/dbraw/zinc/78/03/04/769780304.db2.gz UALNWCBLCHMQAU-IRXDYDNUSA-N 2 1 346.475 0.285 20 30 ECEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840126 770032170 /nfs/dbraw/zinc/03/21/70/770032170.db2.gz ZGBNQOOWNQBNOQ-OWCLPIDISA-N 2 1 338.496 0.703 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089408666 771088398 /nfs/dbraw/zinc/08/83/98/771088398.db2.gz DOXPIYDIFQHDAA-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC(C)(C)C1 ZINC001089408666 771088402 /nfs/dbraw/zinc/08/84/02/771088402.db2.gz DOXPIYDIFQHDAA-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)CC(C)(C)C1 ZINC001089408666 771088405 /nfs/dbraw/zinc/08/84/05/771088405.db2.gz DOXPIYDIFQHDAA-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)CC(C)(C)C1 ZINC001089408666 771088408 /nfs/dbraw/zinc/08/84/08/771088408.db2.gz DOXPIYDIFQHDAA-HOTGVXAUSA-N 2 1 348.491 0.437 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001019289777 771109221 /nfs/dbraw/zinc/10/92/21/771109221.db2.gz CAERKXBMOAJLKM-LUKYLMHMSA-N 2 1 348.491 0.694 20 30 ECEDMP CN1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031594261 771361998 /nfs/dbraw/zinc/36/19/98/771361998.db2.gz XRJBUQBIMBLEOI-KRWDZBQOSA-N 2 1 328.416 0.437 20 30 ECEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001020046233 772107932 /nfs/dbraw/zinc/10/79/32/772107932.db2.gz YKPHYVGWGZGIKK-ZOBUZTSGSA-N 2 1 346.406 0.765 20 30 ECEDMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001020046233 772107935 /nfs/dbraw/zinc/10/79/35/772107935.db2.gz YKPHYVGWGZGIKK-ZOBUZTSGSA-N 2 1 346.406 0.765 20 30 ECEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028898 790382426 /nfs/dbraw/zinc/38/24/26/790382426.db2.gz KHLWBEVCAYNSKH-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028898 790382437 /nfs/dbraw/zinc/38/24/37/790382437.db2.gz KHLWBEVCAYNSKH-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028898 790382445 /nfs/dbraw/zinc/38/24/45/790382445.db2.gz KHLWBEVCAYNSKH-ZACQAIPSSA-N 2 1 346.479 0.928 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001045664756 775995593 /nfs/dbraw/zinc/99/55/93/775995593.db2.gz OSEMSMHCUUDWEG-HZPDHXFCSA-N 2 1 337.464 0.490 20 30 ECEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001045664756 775995605 /nfs/dbraw/zinc/99/56/05/775995605.db2.gz OSEMSMHCUUDWEG-HZPDHXFCSA-N 2 1 337.464 0.490 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC#C)CC2 ZINC001045672589 776013279 /nfs/dbraw/zinc/01/32/79/776013279.db2.gz GVOOALTXQFTRRR-MSOLQXFVSA-N 2 1 343.471 0.705 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC#C)CC2 ZINC001045672589 776013291 /nfs/dbraw/zinc/01/32/91/776013291.db2.gz GVOOALTXQFTRRR-MSOLQXFVSA-N 2 1 343.471 0.705 20 30 ECEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273938 780950106 /nfs/dbraw/zinc/95/01/06/780950106.db2.gz XPAQVJAINGUVKN-OKZBNKHCSA-N 2 1 345.487 0.901 20 30 ECEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489306 781618811 /nfs/dbraw/zinc/61/88/11/781618811.db2.gz SWQLZAKDXRDUEA-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489306 781618815 /nfs/dbraw/zinc/61/88/15/781618815.db2.gz SWQLZAKDXRDUEA-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489306 781618818 /nfs/dbraw/zinc/61/88/18/781618818.db2.gz SWQLZAKDXRDUEA-NSPNGIHDSA-N 2 1 343.471 0.797 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475295 784155887 /nfs/dbraw/zinc/15/58/87/784155887.db2.gz MHXKZGBNLNUOTP-USXIJHARSA-N 2 1 331.464 0.974 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001070502553 784199475 /nfs/dbraw/zinc/19/94/75/784199475.db2.gz YBXJTWPLQMHWFU-UAGQMJEPSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001070502553 784199478 /nfs/dbraw/zinc/19/94/78/784199478.db2.gz YBXJTWPLQMHWFU-UAGQMJEPSA-N 2 1 329.448 0.422 20 30 ECEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001071000082 784371226 /nfs/dbraw/zinc/37/12/26/784371226.db2.gz MXRGDKDZZURUJZ-HOTGVXAUSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001071000082 784371234 /nfs/dbraw/zinc/37/12/34/784371234.db2.gz MXRGDKDZZURUJZ-HOTGVXAUSA-N 2 1 336.480 0.411 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001071000082 784371243 /nfs/dbraw/zinc/37/12/43/784371243.db2.gz MXRGDKDZZURUJZ-HOTGVXAUSA-N 2 1 336.480 0.411 20 30 ECEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603355 786754383 /nfs/dbraw/zinc/75/43/83/786754383.db2.gz DNPHUOMZBSLODS-INIZCTEOSA-N 2 1 347.463 0.289 20 30 ECEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603355 786754387 /nfs/dbraw/zinc/75/43/87/786754387.db2.gz DNPHUOMZBSLODS-INIZCTEOSA-N 2 1 347.463 0.289 20 30 ECEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700669 786999908 /nfs/dbraw/zinc/99/99/08/786999908.db2.gz SXJXGIPYAXECHK-ISXWCOSWSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073700669 786999913 /nfs/dbraw/zinc/99/99/13/786999913.db2.gz SXJXGIPYAXECHK-ISXWCOSWSA-N 2 1 349.475 0.633 20 30 ECEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073700669 786999918 /nfs/dbraw/zinc/99/99/18/786999918.db2.gz SXJXGIPYAXECHK-ISXWCOSWSA-N 2 1 349.475 0.633 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709871 787018010 /nfs/dbraw/zinc/01/80/10/787018010.db2.gz KRLXDWKZPLKSJE-DHADLLTHSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001073709871 787018021 /nfs/dbraw/zinc/01/80/21/787018021.db2.gz KRLXDWKZPLKSJE-DHADLLTHSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001073709871 787018031 /nfs/dbraw/zinc/01/80/31/787018031.db2.gz KRLXDWKZPLKSJE-DHADLLTHSA-N 2 1 347.459 0.080 20 30 ECEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749248 787124865 /nfs/dbraw/zinc/12/48/65/787124865.db2.gz UQRMCNHIMWUYLL-SJLPKXTDSA-N 2 1 344.459 0.984 20 30 ECEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073749248 787124872 /nfs/dbraw/zinc/12/48/72/787124872.db2.gz UQRMCNHIMWUYLL-SJLPKXTDSA-N 2 1 344.459 0.984 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C)C1=O ZINC001074813835 788372340 /nfs/dbraw/zinc/37/23/40/788372340.db2.gz RNBBLMNRNMMSIX-NXOAAHMSSA-N 2 1 348.491 0.837 20 30 ECEDMP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267565497 837781902 /nfs/dbraw/zinc/78/19/02/837781902.db2.gz NYQQJOITFFRELM-HOTGVXAUSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267565497 837781911 /nfs/dbraw/zinc/78/19/11/837781911.db2.gz NYQQJOITFFRELM-HOTGVXAUSA-N 2 1 336.480 0.459 20 30 ECEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267565497 837781918 /nfs/dbraw/zinc/78/19/18/837781918.db2.gz NYQQJOITFFRELM-HOTGVXAUSA-N 2 1 336.480 0.459 20 30 ECEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001266517805 835930064 /nfs/dbraw/zinc/93/00/64/835930064.db2.gz NPMVTIVLMVSHMD-IRXDYDNUSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC001266517805 835930075 /nfs/dbraw/zinc/93/00/75/835930075.db2.gz NPMVTIVLMVSHMD-IRXDYDNUSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C(C)C)C1 ZINC001266517805 835930081 /nfs/dbraw/zinc/93/00/81/835930081.db2.gz NPMVTIVLMVSHMD-IRXDYDNUSA-N 2 1 348.491 0.389 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C(C)C)C1 ZINC001266517805 835930086 /nfs/dbraw/zinc/93/00/86/835930086.db2.gz NPMVTIVLMVSHMD-IRXDYDNUSA-N 2 1 348.491 0.389 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001266539918 835961693 /nfs/dbraw/zinc/96/16/93/835961693.db2.gz LIJURYVHGSHCCE-OAHLLOKOSA-N 2 1 349.479 0.185 20 30 ECEDMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001266539918 835961700 /nfs/dbraw/zinc/96/17/00/835961700.db2.gz LIJURYVHGSHCCE-OAHLLOKOSA-N 2 1 349.479 0.185 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001266556497 835984150 /nfs/dbraw/zinc/98/41/50/835984150.db2.gz PGKIBGUOWRIEBD-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCC)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001266556497 835984158 /nfs/dbraw/zinc/98/41/58/835984158.db2.gz PGKIBGUOWRIEBD-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCN1CC[C@@H]([NH+](CCC)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001266556497 835984165 /nfs/dbraw/zinc/98/41/65/835984165.db2.gz PGKIBGUOWRIEBD-HZPDHXFCSA-N 2 1 336.480 0.696 20 30 ECEDMP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267222746 837016916 /nfs/dbraw/zinc/01/69/16/837016916.db2.gz QZYMZKOLUODHTA-AWEZNQCLSA-N 2 1 347.463 0.710 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)N(C)C)C2)CC1 ZINC001267597352 837904393 /nfs/dbraw/zinc/90/43/93/837904393.db2.gz VXMAMBFRSDSPTL-INIZCTEOSA-N 2 1 348.491 0.200 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC001267938014 838822528 /nfs/dbraw/zinc/82/25/28/838822528.db2.gz HJGHOJKMLRMEDL-PBHICJAKSA-N 2 1 342.443 0.364 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC001267938014 838822537 /nfs/dbraw/zinc/82/25/37/838822537.db2.gz HJGHOJKMLRMEDL-PBHICJAKSA-N 2 1 342.443 0.364 20 30 ECEDMP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267963841 838878165 /nfs/dbraw/zinc/87/81/65/838878165.db2.gz WPFZLAYMFZCSOF-IAGOWNOFSA-N 2 1 344.459 0.984 20 30 ECEDMP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000496360144 255093906 /nfs/dbraw/zinc/09/39/06/255093906.db2.gz NIGZACWBFFBCAA-CYBMUJFWSA-N 2 1 325.457 0.867 20 30 ECEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000125132032 277752924 /nfs/dbraw/zinc/75/29/24/277752924.db2.gz PVCXUDQYOHUACI-MRXNPFEDSA-N 2 1 348.495 0.766 20 30 ECEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000330755594 437607245 /nfs/dbraw/zinc/60/72/45/437607245.db2.gz XEIMYYLKAMWKPD-UHFFFAOYSA-N 2 1 339.484 0.573 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076458581 436207385 /nfs/dbraw/zinc/20/73/85/436207385.db2.gz VDFIEIVNGDOSPG-MRXNPFEDSA-N 2 1 334.464 0.035 20 30 ECEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083031352 436367591 /nfs/dbraw/zinc/36/75/91/436367591.db2.gz DWKJBWWSHUMKTG-HNNXBMFYSA-N 2 1 345.447 0.579 20 30 ECEDMP CC(C)Oc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000264097019 437016642 /nfs/dbraw/zinc/01/66/42/437016642.db2.gz MYJGIWMCFKNZBL-UHFFFAOYSA-N 2 1 335.452 0.995 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1 ZINC000264106124 437017610 /nfs/dbraw/zinc/01/76/10/437017610.db2.gz PMBMAAHZNWYUFK-CABCVRRESA-N 2 1 338.427 0.954 20 30 ECEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264093747 437017626 /nfs/dbraw/zinc/01/76/26/437017626.db2.gz LXRKFLRZCQVCDA-OAHLLOKOSA-N 2 1 331.468 0.788 20 30 ECEDMP CN(C)C(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264056223 437015076 /nfs/dbraw/zinc/01/50/76/437015076.db2.gz AZUQBECBNZMFMG-UHFFFAOYSA-N 2 1 347.463 0.515 20 30 ECEDMP CCc1ccc([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000285033246 437076676 /nfs/dbraw/zinc/07/66/76/437076676.db2.gz JZNBEWKQYIJRSW-QGZVFWFLSA-N 2 1 334.464 0.909 20 30 ECEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000267406186 437327363 /nfs/dbraw/zinc/32/73/63/437327363.db2.gz HDMIIRVLZYDULL-HNNXBMFYSA-N 2 1 326.466 0.582 20 30 ECEDMP Cc1cccc2nc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)cn21 ZINC000267419127 437327777 /nfs/dbraw/zinc/32/77/77/437327777.db2.gz KAJZAVDMSUICGH-UHFFFAOYSA-N 2 1 330.436 0.769 20 30 ECEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000330122148 437457079 /nfs/dbraw/zinc/45/70/79/437457079.db2.gz AABCFYPEXGUCHU-HUUCEWRRSA-N 2 1 337.468 0.233 20 30 ECEDMP C[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000330122148 437457083 /nfs/dbraw/zinc/45/70/83/437457083.db2.gz AABCFYPEXGUCHU-HUUCEWRRSA-N 2 1 337.468 0.233 20 30 ECEDMP C[NH+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000330122148 437457085 /nfs/dbraw/zinc/45/70/85/437457085.db2.gz AABCFYPEXGUCHU-HUUCEWRRSA-N 2 1 337.468 0.233 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000343759714 437649059 /nfs/dbraw/zinc/64/90/59/437649059.db2.gz DHUVGFQLABSFGK-GDBMZVCRSA-N 2 1 334.464 0.306 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000340478663 437656911 /nfs/dbraw/zinc/65/69/11/437656911.db2.gz CSUOXULUDDMUQC-DLBZAZTESA-N 2 1 348.491 0.886 20 30 ECEDMP C[C@@H](C#N)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000416387598 437923214 /nfs/dbraw/zinc/92/32/14/437923214.db2.gz UGYNLEKRMGPGKW-AWEZNQCLSA-N 2 1 337.449 0.425 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000359272843 438401806 /nfs/dbraw/zinc/40/18/06/438401806.db2.gz BDVMKSXLJJCYEC-UHFFFAOYSA-N 2 1 336.480 0.744 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413234898 438692315 /nfs/dbraw/zinc/69/23/15/438692315.db2.gz ISRASNHYIWQWGE-AWEZNQCLSA-N 2 1 338.452 0.383 20 30 ECEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOC[C@@H]3C#N)CC2)CC1 ZINC000557631883 438802512 /nfs/dbraw/zinc/80/25/12/438802512.db2.gz NYZGQRBSXKUATI-KRWDZBQOSA-N 2 1 334.464 0.934 20 30 ECEDMP N#Cc1ncn(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601965052 438993647 /nfs/dbraw/zinc/99/36/47/438993647.db2.gz MTIGRKVNFFJPSQ-KRWDZBQOSA-N 2 1 326.404 0.376 20 30 ECEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437925 439559828 /nfs/dbraw/zinc/55/98/28/439559828.db2.gz LNXXOFFWVBKSBW-GJZGRUSLSA-N 2 1 337.468 0.457 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600726532 439695185 /nfs/dbraw/zinc/69/51/85/439695185.db2.gz LXMYRXHSEPQVDW-INIZCTEOSA-N 2 1 346.431 0.052 20 30 ECEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000574566233 322781427 /nfs/dbraw/zinc/78/14/27/322781427.db2.gz NOXRVYFCKCYODR-INIZCTEOSA-N 2 1 346.431 0.052 20 30 ECEDMP CCC(CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000104161084 586333852 /nfs/dbraw/zinc/33/38/52/586333852.db2.gz CDLMZHXOHLRFJL-INIZCTEOSA-N 3 1 327.517 0.979 20 30 ECEDMP C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[NH+](C)C ZINC000849086873 589319460 /nfs/dbraw/zinc/31/94/60/589319460.db2.gz CVQIGNVVPHGPRK-OLZOCXBDSA-N 2 1 325.457 0.817 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861634462 589869414 /nfs/dbraw/zinc/86/94/14/589869414.db2.gz JHQJKZHWIJSODE-KRWDZBQOSA-N 2 1 336.480 0.742 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000884055029 590722165 /nfs/dbraw/zinc/72/21/65/590722165.db2.gz ZIDQRAFJJUBWHI-KRWDZBQOSA-N 2 1 335.496 0.411 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000884055029 590722168 /nfs/dbraw/zinc/72/21/68/590722168.db2.gz ZIDQRAFJJUBWHI-KRWDZBQOSA-N 2 1 335.496 0.411 20 30 ECEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642412 611383575 /nfs/dbraw/zinc/38/35/75/611383575.db2.gz IJPOQRAQOCZHDB-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642412 611383578 /nfs/dbraw/zinc/38/35/78/611383578.db2.gz IJPOQRAQOCZHDB-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642412 611383583 /nfs/dbraw/zinc/38/35/83/611383583.db2.gz IJPOQRAQOCZHDB-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642412 611383585 /nfs/dbraw/zinc/38/35/85/611383585.db2.gz IJPOQRAQOCZHDB-ZJPYXAASSA-N 2 1 333.476 0.899 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000924038239 608611898 /nfs/dbraw/zinc/61/18/98/608611898.db2.gz YXPLXSNXVNFTAT-NVXWUHKLSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000924038239 608611900 /nfs/dbraw/zinc/61/19/00/608611900.db2.gz YXPLXSNXVNFTAT-NVXWUHKLSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038239 608611901 /nfs/dbraw/zinc/61/19/01/608611901.db2.gz YXPLXSNXVNFTAT-NVXWUHKLSA-N 2 1 334.464 0.637 20 30 ECEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000924038239 608611903 /nfs/dbraw/zinc/61/19/03/608611903.db2.gz YXPLXSNXVNFTAT-NVXWUHKLSA-N 2 1 334.464 0.637 20 30 ECEDMP COC(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000159392690 608902135 /nfs/dbraw/zinc/90/21/35/608902135.db2.gz ULTZQUKEHUAGAX-UHFFFAOYSA-N 2 1 334.420 0.600 20 30 ECEDMP Cn1cnnc1CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912498784 609962310 /nfs/dbraw/zinc/96/23/10/609962310.db2.gz HKTKYIHMPXSMFB-UHFFFAOYSA-N 2 1 337.472 0.371 20 30 ECEDMP C[NH+]1C[C@H]2CN(CC#CCN3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000933732785 611745230 /nfs/dbraw/zinc/74/52/30/611745230.db2.gz BOHXQPRKACMOQA-JVSBHGNQSA-N 2 1 330.520 0.757 20 30 ECEDMP C[NH+]1C[C@@H]2CN(CC#CCN3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000933732785 611745231 /nfs/dbraw/zinc/74/52/31/611745231.db2.gz BOHXQPRKACMOQA-JVSBHGNQSA-N 2 1 330.520 0.757 20 30 ECEDMP C[NH+]1C[C@@H]2CN(CC#CCN3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000933732785 611745232 /nfs/dbraw/zinc/74/52/32/611745232.db2.gz BOHXQPRKACMOQA-JVSBHGNQSA-N 2 1 330.520 0.757 20 30 ECEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189555 611894568 /nfs/dbraw/zinc/89/45/68/611894568.db2.gz YWDRKSUOAAGNFL-SJORKVTESA-N 2 1 333.476 0.901 20 30 ECEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370146 611954730 /nfs/dbraw/zinc/95/47/30/611954730.db2.gz LHXSSIARBPWJPK-IRXDYDNUSA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370146 611954732 /nfs/dbraw/zinc/95/47/32/611954732.db2.gz LHXSSIARBPWJPK-IRXDYDNUSA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370146 611954734 /nfs/dbraw/zinc/95/47/34/611954734.db2.gz LHXSSIARBPWJPK-IRXDYDNUSA-N 2 1 349.475 0.729 20 30 ECEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370146 611954736 /nfs/dbraw/zinc/95/47/36/611954736.db2.gz LHXSSIARBPWJPK-IRXDYDNUSA-N 2 1 349.475 0.729 20 30 ECEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949414547 611970953 /nfs/dbraw/zinc/97/09/53/611970953.db2.gz CEIHBSCTIIRHEV-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949414547 611970956 /nfs/dbraw/zinc/97/09/56/611970956.db2.gz CEIHBSCTIIRHEV-UHFFFAOYSA-N 2 1 330.432 0.908 20 30 ECEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561343 735494240 /nfs/dbraw/zinc/49/42/40/735494240.db2.gz ACFOSKMRPIPLLT-UHFFFAOYSA-N 2 1 339.480 0.570 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001024987850 738462455 /nfs/dbraw/zinc/46/24/55/738462455.db2.gz WVWGNVWJHVQZDK-WBVHZDCISA-N 2 1 344.463 0.383 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001024987850 738462457 /nfs/dbraw/zinc/46/24/57/738462457.db2.gz WVWGNVWJHVQZDK-WBVHZDCISA-N 2 1 344.463 0.383 20 30 ECEDMP C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970745110 733901994 /nfs/dbraw/zinc/90/19/94/733901994.db2.gz JEBHVTYONKKPHT-GOEBONIOSA-N 2 1 346.475 0.306 20 30 ECEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261951071 734866574 /nfs/dbraw/zinc/86/65/74/734866574.db2.gz HJVAZEYBEAZMEI-SWLSCSKDSA-N 2 1 333.484 0.634 20 30 ECEDMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167588522 735892482 /nfs/dbraw/zinc/89/24/82/735892482.db2.gz SNLMXFVGNYWDLG-UHFFFAOYSA-N 2 1 334.424 0.132 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448619 736227471 /nfs/dbraw/zinc/22/74/71/736227471.db2.gz AZBVOPVUKMQXJX-SFHVURJKSA-N 2 1 331.460 0.941 20 30 ECEDMP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448619 736227474 /nfs/dbraw/zinc/22/74/74/736227474.db2.gz AZBVOPVUKMQXJX-SFHVURJKSA-N 2 1 331.460 0.941 20 30 ECEDMP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617152 737105226 /nfs/dbraw/zinc/10/52/26/737105226.db2.gz NOCYVOOPMNJCGT-LJQANCHMSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617152 737105227 /nfs/dbraw/zinc/10/52/27/737105227.db2.gz NOCYVOOPMNJCGT-LJQANCHMSA-N 2 1 349.475 0.424 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001024022298 737627387 /nfs/dbraw/zinc/62/73/87/737627387.db2.gz SVKJXOOXBZIXHD-IRXDYDNUSA-N 2 1 341.459 0.902 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC001024022298 737627388 /nfs/dbraw/zinc/62/73/88/737627388.db2.gz SVKJXOOXBZIXHD-IRXDYDNUSA-N 2 1 341.459 0.902 20 30 ECEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560677 738107178 /nfs/dbraw/zinc/10/71/78/738107178.db2.gz HXESSOUBRRBMIZ-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024560677 738107181 /nfs/dbraw/zinc/10/71/81/738107181.db2.gz HXESSOUBRRBMIZ-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024560677 738107184 /nfs/dbraw/zinc/10/71/84/738107184.db2.gz HXESSOUBRRBMIZ-VZDIDWBNSA-N 2 1 331.460 0.844 20 30 ECEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750234 741762264 /nfs/dbraw/zinc/76/22/64/741762264.db2.gz YQYUKRQSZCSUSY-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001026750234 741762265 /nfs/dbraw/zinc/76/22/65/741762265.db2.gz YQYUKRQSZCSUSY-QZTJIDSGSA-N 2 1 342.443 0.827 20 30 ECEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826148 742225230 /nfs/dbraw/zinc/22/52/30/742225230.db2.gz NPIUJHADHRAABH-YJTLQXIOSA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826148 742225233 /nfs/dbraw/zinc/22/52/33/742225233.db2.gz NPIUJHADHRAABH-YJTLQXIOSA-N 2 1 331.460 0.700 20 30 ECEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826148 742225237 /nfs/dbraw/zinc/22/52/37/742225237.db2.gz NPIUJHADHRAABH-YJTLQXIOSA-N 2 1 331.460 0.700 20 30 ECEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000997006399 743119483 /nfs/dbraw/zinc/11/94/83/743119483.db2.gz LXCOBIXSGDXQGI-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261957685 743139298 /nfs/dbraw/zinc/13/92/98/743139298.db2.gz JHKDUOJGVUTLPZ-CYBMUJFWSA-N 2 1 342.509 0.555 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001029002066 743152611 /nfs/dbraw/zinc/15/26/11/743152611.db2.gz JCMNHMMQMCHNDE-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001029002066 743152614 /nfs/dbraw/zinc/15/26/14/743152614.db2.gz JCMNHMMQMCHNDE-MRXNPFEDSA-N 2 1 343.475 0.703 20 30 ECEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000262007679 743387866 /nfs/dbraw/zinc/38/78/66/743387866.db2.gz SBSYCMAPXRWZCL-AWEZNQCLSA-N 2 1 329.452 0.398 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998922496 744406930 /nfs/dbraw/zinc/40/69/30/744406930.db2.gz GAKJPFVCZKROEP-JCYILVPMSA-N 2 1 329.448 0.597 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998922496 744406931 /nfs/dbraw/zinc/40/69/31/744406931.db2.gz GAKJPFVCZKROEP-JCYILVPMSA-N 2 1 329.448 0.597 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1=O ZINC000999373166 744663697 /nfs/dbraw/zinc/66/36/97/744663697.db2.gz FQHITJOCVPVYJN-NVXWUHKLSA-N 2 1 348.491 0.838 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001029107745 745100744 /nfs/dbraw/zinc/10/07/44/745100744.db2.gz FCAIUQXTFQHSAL-YOEHRIQHSA-N 2 1 345.447 0.884 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001029107745 745100749 /nfs/dbraw/zinc/10/07/49/745100749.db2.gz FCAIUQXTFQHSAL-YOEHRIQHSA-N 2 1 345.447 0.884 20 30 ECEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985385 745138172 /nfs/dbraw/zinc/13/81/72/745138172.db2.gz BNCQYBXLFUKDNB-FVQBIDKESA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985385 745138174 /nfs/dbraw/zinc/13/81/74/745138174.db2.gz BNCQYBXLFUKDNB-FVQBIDKESA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985385 745138175 /nfs/dbraw/zinc/13/81/75/745138175.db2.gz BNCQYBXLFUKDNB-FVQBIDKESA-N 2 1 332.452 0.667 20 30 ECEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000032978 745207086 /nfs/dbraw/zinc/20/70/86/745207086.db2.gz AZUJIXGWPHRJHU-HNNXBMFYSA-N 2 1 330.436 0.423 20 30 ECEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000045847 745226414 /nfs/dbraw/zinc/22/64/14/745226414.db2.gz RDRQQJDNNBBILK-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045847 745226418 /nfs/dbraw/zinc/22/64/18/745226418.db2.gz RDRQQJDNNBBILK-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000045847 745226426 /nfs/dbraw/zinc/22/64/26/745226426.db2.gz RDRQQJDNNBBILK-GOEBONIOSA-N 2 1 332.452 0.669 20 30 ECEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3ccnc3)C(C)(C)C2)C1=O ZINC000977646736 745332491 /nfs/dbraw/zinc/33/24/91/745332491.db2.gz NFIQXNCMXJFIRG-HUUCEWRRSA-N 2 1 345.447 0.497 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccn2CC)C1 ZINC000983903247 745482220 /nfs/dbraw/zinc/48/22/20/745482220.db2.gz AZKPFSSQISSWSB-ULQDDVLXSA-N 2 1 343.475 0.985 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccn2CC)C1 ZINC000983903247 745482222 /nfs/dbraw/zinc/48/22/22/745482222.db2.gz AZKPFSSQISSWSB-ULQDDVLXSA-N 2 1 343.475 0.985 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC001000993788 745958948 /nfs/dbraw/zinc/95/89/48/745958948.db2.gz SYAVQWMQMHKRHR-INIZCTEOSA-N 2 1 345.447 0.804 20 30 ECEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978172896 746008069 /nfs/dbraw/zinc/00/80/69/746008069.db2.gz CNBUVLQZZMHQOL-PHZGNYQRSA-N 2 1 329.448 0.376 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001001231625 746190970 /nfs/dbraw/zinc/19/09/70/746190970.db2.gz YXANFAVPDGKAQV-QGZVFWFLSA-N 2 1 346.475 0.000 20 30 ECEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361142 752084630 /nfs/dbraw/zinc/08/46/30/752084630.db2.gz RRRISIAMJUKVCO-CQSZACIVSA-N 2 1 330.436 0.116 20 30 ECEDMP CCS(=O)(=O)CCNC(=[NH+]C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262493520 747791021 /nfs/dbraw/zinc/79/10/21/747791021.db2.gz VPHRFNMFNREFHX-CQSZACIVSA-N 2 1 330.498 0.557 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001002834754 747855128 /nfs/dbraw/zinc/85/51/28/747855128.db2.gz ICQWNPRXZNGNFN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001002834754 747855137 /nfs/dbraw/zinc/85/51/37/747855137.db2.gz ICQWNPRXZNGNFN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001002834754 747855143 /nfs/dbraw/zinc/85/51/43/747855143.db2.gz ICQWNPRXZNGNFN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001002834754 747855149 /nfs/dbraw/zinc/85/51/49/747855149.db2.gz ICQWNPRXZNGNFN-RDJZCZTQSA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000985550976 748465416 /nfs/dbraw/zinc/46/54/16/748465416.db2.gz WZWXJOUMHLFVKN-MSOLQXFVSA-N 2 1 349.475 0.422 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626110 748739545 /nfs/dbraw/zinc/73/95/45/748739545.db2.gz MGDUHDFJPWNKKO-WBVHZDCISA-N 2 1 348.491 0.696 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626109 748739780 /nfs/dbraw/zinc/73/97/80/748739780.db2.gz MGDUHDFJPWNKKO-RDJZCZTQSA-N 2 1 348.491 0.696 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3cnn(C)c3)C2)CC1 ZINC000980477191 749629019 /nfs/dbraw/zinc/62/90/19/749629019.db2.gz CJFOEADJNFLOMS-SFHVURJKSA-N 2 1 343.475 0.798 20 30 ECEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262793926 749777034 /nfs/dbraw/zinc/77/70/34/749777034.db2.gz OUGPKZPAYQNYRM-CHWSQXEVSA-N 2 1 333.484 0.776 20 30 ECEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740716 750577496 /nfs/dbraw/zinc/57/74/96/750577496.db2.gz HARODCKLZHCMDM-URSIVYNOSA-N 2 1 331.460 0.796 20 30 ECEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812666 751133764 /nfs/dbraw/zinc/13/37/64/751133764.db2.gz SIZOVOIOMKLIKB-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000981812666 751133767 /nfs/dbraw/zinc/13/37/67/751133767.db2.gz SIZOVOIOMKLIKB-KRWDZBQOSA-N 2 1 343.475 0.761 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC000981872165 751224971 /nfs/dbraw/zinc/22/49/71/751224971.db2.gz BQBZZAAHJGTAPB-KRWDZBQOSA-N 2 1 348.491 0.649 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC000981872165 751224974 /nfs/dbraw/zinc/22/49/74/751224974.db2.gz BQBZZAAHJGTAPB-KRWDZBQOSA-N 2 1 348.491 0.649 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006317139 751238789 /nfs/dbraw/zinc/23/87/89/751238789.db2.gz XMWJDCAKMADQHL-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001006317139 751238792 /nfs/dbraw/zinc/23/87/92/751238792.db2.gz XMWJDCAKMADQHL-WBVHZDCISA-N 2 1 346.475 0.143 20 30 ECEDMP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261856665 754603182 /nfs/dbraw/zinc/60/31/82/754603182.db2.gz XXUGPQIKLKQFOT-GOEBONIOSA-N 2 1 342.509 0.084 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001009627380 755086369 /nfs/dbraw/zinc/08/63/69/755086369.db2.gz LNEXLCBLKPWHQD-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001009627380 755086375 /nfs/dbraw/zinc/08/63/75/755086375.db2.gz LNEXLCBLKPWHQD-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833679 757138065 /nfs/dbraw/zinc/13/80/65/757138065.db2.gz RRQTZZHAGOAPNQ-XUWVNRHRSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833679 757138072 /nfs/dbraw/zinc/13/80/72/757138072.db2.gz RRQTZZHAGOAPNQ-XUWVNRHRSA-N 2 1 339.867 0.992 20 30 ECEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833679 757138080 /nfs/dbraw/zinc/13/80/80/757138080.db2.gz RRQTZZHAGOAPNQ-XUWVNRHRSA-N 2 1 339.867 0.992 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC001048869771 757237598 /nfs/dbraw/zinc/23/75/98/757237598.db2.gz DLQGAWQRTSBQHC-OTWHNJEPSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2C1 ZINC001048869771 757237603 /nfs/dbraw/zinc/23/76/03/757237603.db2.gz DLQGAWQRTSBQHC-OTWHNJEPSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048869771 757237608 /nfs/dbraw/zinc/23/76/08/757237608.db2.gz DLQGAWQRTSBQHC-OTWHNJEPSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048869771 757237612 /nfs/dbraw/zinc/23/76/12/757237612.db2.gz DLQGAWQRTSBQHC-OTWHNJEPSA-N 2 1 345.487 0.901 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001077125045 758288872 /nfs/dbraw/zinc/28/88/72/758288872.db2.gz KTQDEERPYDNZIZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001077125045 758288883 /nfs/dbraw/zinc/28/88/83/758288883.db2.gz KTQDEERPYDNZIZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077125045 758288892 /nfs/dbraw/zinc/28/88/92/758288892.db2.gz KTQDEERPYDNZIZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001077125045 758288897 /nfs/dbraw/zinc/28/88/97/758288897.db2.gz KTQDEERPYDNZIZ-ULQDDVLXSA-N 2 1 348.491 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001077125577 758292976 /nfs/dbraw/zinc/29/29/76/758292976.db2.gz YBXSTQISSSIYBT-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001077125577 758292987 /nfs/dbraw/zinc/29/29/87/758292987.db2.gz YBXSTQISSSIYBT-HOTGVXAUSA-N 2 1 336.480 0.437 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001077152469 758359611 /nfs/dbraw/zinc/35/96/11/758359611.db2.gz TVJDFAKUWBADKE-XHSDSOJGSA-N 2 1 336.480 0.435 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001077152469 758359620 /nfs/dbraw/zinc/35/96/20/758359620.db2.gz TVJDFAKUWBADKE-XHSDSOJGSA-N 2 1 336.480 0.435 20 30 ECEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1=O ZINC001022163930 758363387 /nfs/dbraw/zinc/36/33/87/758363387.db2.gz BYSWQOJGNYEXPN-VVLHAWIVSA-N 2 1 348.491 0.885 20 30 ECEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779485 758622871 /nfs/dbraw/zinc/62/28/71/758622871.db2.gz MIKUMMGQBPHGPL-MSOLQXFVSA-N 2 1 327.428 0.607 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168368973 758889970 /nfs/dbraw/zinc/88/99/70/758889970.db2.gz JJRGLUJRSQVGSK-CQSZACIVSA-N 2 1 333.436 0.206 20 30 ECEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001054240901 767853060 /nfs/dbraw/zinc/85/30/60/767853060.db2.gz FYBHHYBHLWASRG-HKUYNNGSSA-N 2 1 333.476 0.902 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCn3cccn3)C2)CC1 ZINC001046849473 763227477 /nfs/dbraw/zinc/22/74/77/763227477.db2.gz FWVOLMRZCPXRKW-IBGZPJMESA-N 2 1 343.475 0.809 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001031926305 763613648 /nfs/dbraw/zinc/61/36/48/763613648.db2.gz ZAUWIESXAKSORM-XIRDDKMYSA-N 2 1 348.491 0.552 20 30 ECEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1=O ZINC001031926305 763613654 /nfs/dbraw/zinc/61/36/54/763613654.db2.gz ZAUWIESXAKSORM-XIRDDKMYSA-N 2 1 348.491 0.552 20 30 ECEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068439 763763292 /nfs/dbraw/zinc/76/32/92/763763292.db2.gz IYRCAUATKPZJDH-QZTJIDSGSA-N 2 1 347.507 0.850 20 30 ECEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052068439 763763295 /nfs/dbraw/zinc/76/32/95/763763295.db2.gz IYRCAUATKPZJDH-QZTJIDSGSA-N 2 1 347.507 0.850 20 30 ECEDMP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081358 763797507 /nfs/dbraw/zinc/79/75/07/763797507.db2.gz AETWYRYKTIYURO-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052094299 763840282 /nfs/dbraw/zinc/84/02/82/763840282.db2.gz RTWFGTCGNPIGSQ-KRWDZBQOSA-N 2 1 333.480 0.460 20 30 ECEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654547 765128793 /nfs/dbraw/zinc/12/87/93/765128793.db2.gz ZDSQCOSHGYUKFH-HOTGVXAUSA-N 2 1 334.464 0.306 20 30 ECEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001015654547 765128800 /nfs/dbraw/zinc/12/88/00/765128800.db2.gz ZDSQCOSHGYUKFH-HOTGVXAUSA-N 2 1 334.464 0.306 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263263 765863932 /nfs/dbraw/zinc/86/39/32/765863932.db2.gz JSWIXAHKHUZBGH-IAGOWNOFSA-N 2 1 349.475 0.729 20 30 ECEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263263 765863936 /nfs/dbraw/zinc/86/39/36/765863936.db2.gz JSWIXAHKHUZBGH-IAGOWNOFSA-N 2 1 349.475 0.729 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337533 766144959 /nfs/dbraw/zinc/14/49/59/766144959.db2.gz RKRDFGPBOOVVDK-SJLPKXTDSA-N 2 1 333.476 0.949 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046012684 766639558 /nfs/dbraw/zinc/63/95/58/766639558.db2.gz BECWBSALECUSAY-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046012684 766639564 /nfs/dbraw/zinc/63/95/64/766639564.db2.gz BECWBSALECUSAY-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012684 766639567 /nfs/dbraw/zinc/63/95/67/766639567.db2.gz BECWBSALECUSAY-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046012684 766639575 /nfs/dbraw/zinc/63/95/75/766639575.db2.gz BECWBSALECUSAY-SJORKVTESA-N 2 1 336.480 0.112 20 30 ECEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030171 766696630 /nfs/dbraw/zinc/69/66/30/766696630.db2.gz KZDHAEOMOGXYNU-QZTJIDSGSA-N 2 1 332.492 0.733 20 30 ECEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069994 766871490 /nfs/dbraw/zinc/87/14/90/766871490.db2.gz LBPYURCGDOPNPT-GOSISDBHSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075940 766899263 /nfs/dbraw/zinc/89/92/63/766899263.db2.gz IPWDFNWIIGGAGU-QGZVFWFLSA-N 2 1 330.476 0.324 20 30 ECEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC001046085163 766926331 /nfs/dbraw/zinc/92/63/31/766926331.db2.gz NAFVKVDXMNUVTQ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085163 766926332 /nfs/dbraw/zinc/92/63/32/766926332.db2.gz NAFVKVDXMNUVTQ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)C1 ZINC001046085163 766926333 /nfs/dbraw/zinc/92/63/33/766926333.db2.gz NAFVKVDXMNUVTQ-ROUUACIJSA-N 2 1 332.492 0.713 20 30 ECEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001055601889 769232268 /nfs/dbraw/zinc/23/22/68/769232268.db2.gz GSUYEUVWCBGLLJ-INIZCTEOSA-N 2 1 338.496 0.990 20 30 ECEDMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055642858 769331441 /nfs/dbraw/zinc/33/14/41/769331441.db2.gz PBXMQPHRDIPKAH-CQSZACIVSA-N 2 1 337.468 0.185 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)[C@@H]2C)CC1 ZINC000994501138 770919290 /nfs/dbraw/zinc/91/92/90/770919290.db2.gz SEGKAMLKWFHHDR-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)[C@@H]2C)CC1 ZINC000994501138 770919294 /nfs/dbraw/zinc/91/92/94/770919294.db2.gz SEGKAMLKWFHHDR-ZBFHGGJFSA-N 2 1 334.464 0.047 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001019800378 771813988 /nfs/dbraw/zinc/81/39/88/771813988.db2.gz HYSRMPSYTYWTQR-QWHCGFSZSA-N 2 1 346.269 0.806 20 30 ECEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001019800378 771813996 /nfs/dbraw/zinc/81/39/96/771813996.db2.gz HYSRMPSYTYWTQR-QWHCGFSZSA-N 2 1 346.269 0.806 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070211656 783665000 /nfs/dbraw/zinc/66/50/00/783665000.db2.gz SXYUFTPVVBFKEU-IKGGRYGDSA-N 2 1 342.447 0.127 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001070211656 783665004 /nfs/dbraw/zinc/66/50/04/783665004.db2.gz SXYUFTPVVBFKEU-IKGGRYGDSA-N 2 1 342.447 0.127 20 30 ECEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070367530 783902949 /nfs/dbraw/zinc/90/29/49/783902949.db2.gz ZJUDQHNLBMWJEX-RYRKJORJSA-N 2 1 348.491 0.742 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC)C1 ZINC001070413241 784008336 /nfs/dbraw/zinc/00/83/36/784008336.db2.gz XVHDHUHSGNOXNY-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC)C1 ZINC001070413241 784008342 /nfs/dbraw/zinc/00/83/42/784008342.db2.gz XVHDHUHSGNOXNY-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[NH+](CC)C1 ZINC001070413241 784008350 /nfs/dbraw/zinc/00/83/50/784008350.db2.gz XVHDHUHSGNOXNY-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[NH+](CC)C1 ZINC001070413241 784008359 /nfs/dbraw/zinc/00/83/59/784008359.db2.gz XVHDHUHSGNOXNY-HOCLYGCPSA-N 2 1 329.448 0.933 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001070921998 784120096 /nfs/dbraw/zinc/12/00/96/784120096.db2.gz WJCHIKHEGRXVKO-ZACQAIPSSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001070921998 784120100 /nfs/dbraw/zinc/12/01/00/784120100.db2.gz WJCHIKHEGRXVKO-ZACQAIPSSA-N 2 1 348.491 0.531 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070501044 784198105 /nfs/dbraw/zinc/19/81/05/784198105.db2.gz WKDNMKMBRAVPOD-DOTOQJQBSA-N 2 1 329.448 0.422 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534729 784239554 /nfs/dbraw/zinc/23/95/54/784239554.db2.gz LELCVFMHXRJZJT-HLLBOEOZSA-N 2 1 329.448 0.279 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001070996146 784356090 /nfs/dbraw/zinc/35/60/90/784356090.db2.gz JNVMNMUDQBMDRL-QGZVFWFLSA-N 2 1 338.496 0.799 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001070996146 784356099 /nfs/dbraw/zinc/35/60/99/784356099.db2.gz JNVMNMUDQBMDRL-QGZVFWFLSA-N 2 1 338.496 0.799 20 30 ECEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015604 784422724 /nfs/dbraw/zinc/42/27/24/784422724.db2.gz LMMYFACORTXUDR-UHFFFAOYSA-N 2 1 334.464 0.309 20 30 ECEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015604 784422727 /nfs/dbraw/zinc/42/27/27/784422727.db2.gz LMMYFACORTXUDR-UHFFFAOYSA-N 2 1 334.464 0.309 20 30 ECEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688863 784554154 /nfs/dbraw/zinc/55/41/54/784554154.db2.gz VXYBEHUOHSVTEQ-HZPDHXFCSA-N 2 1 343.475 0.669 20 30 ECEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070717877 784591995 /nfs/dbraw/zinc/59/19/95/784591995.db2.gz ACWRFBGSXPSPAZ-BZUAXINKSA-N 2 1 331.464 0.832 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C)C1=O ZINC001074746217 787753821 /nfs/dbraw/zinc/75/38/21/787753821.db2.gz ZEJONJVRJIXJKI-HRCADAONSA-N 2 1 345.447 0.557 20 30 ECEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531320 837704500 /nfs/dbraw/zinc/70/45/00/837704500.db2.gz QBEVXTGXMOCYBX-HOTGVXAUSA-N 2 1 349.479 0.327 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569387 837794665 /nfs/dbraw/zinc/79/46/65/837794665.db2.gz UHSPCXJAQBPGKV-JKSUJKDBSA-N 2 1 346.475 0.048 20 30 ECEDMP C#CC[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266289818 835633722 /nfs/dbraw/zinc/63/37/22/835633722.db2.gz CROOKYKGZDKKGX-UHFFFAOYSA-N 2 1 334.508 0.866 20 30 ECEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001266297674 835648080 /nfs/dbraw/zinc/64/80/80/835648080.db2.gz RZQDKUOWHOYSPP-QGZVFWFLSA-N 2 1 338.496 0.407 20 30 ECEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266297674 835648082 /nfs/dbraw/zinc/64/80/82/835648082.db2.gz RZQDKUOWHOYSPP-QGZVFWFLSA-N 2 1 338.496 0.407 20 30 ECEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266545649 835966489 /nfs/dbraw/zinc/96/64/89/835966489.db2.gz YLYUWGROYWMLLT-FZKCQIBNSA-N 2 1 334.464 0.045 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266545650 835966818 /nfs/dbraw/zinc/96/68/18/835966818.db2.gz YLYUWGROYWMLLT-VGWMRTNUSA-N 2 1 334.464 0.045 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266620391 836057495 /nfs/dbraw/zinc/05/74/95/836057495.db2.gz VOQCBJJSMMFNBM-RBSFLKMASA-N 2 1 338.496 0.892 20 30 ECEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001266731096 836211039 /nfs/dbraw/zinc/21/10/39/836211039.db2.gz QXFSGNSRXHTIKW-JKSUJKDBSA-N 2 1 336.480 0.696 20 30 ECEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898359 836450028 /nfs/dbraw/zinc/45/00/28/836450028.db2.gz VHBOGSLSUPITQO-HOTGVXAUSA-N 2 1 334.464 0.048 20 30 ECEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266901030 836454159 /nfs/dbraw/zinc/45/41/59/836454159.db2.gz IIUNMSZKWHYZLW-FIDHJVLJSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266901030 836454165 /nfs/dbraw/zinc/45/41/65/836454165.db2.gz IIUNMSZKWHYZLW-FIDHJVLJSA-N 2 1 346.475 0.044 20 30 ECEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266901030 836454171 /nfs/dbraw/zinc/45/41/71/836454171.db2.gz IIUNMSZKWHYZLW-FIDHJVLJSA-N 2 1 346.475 0.044 20 30 ECEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267113171 836802046 /nfs/dbraw/zinc/80/20/46/836802046.db2.gz FSEJAZGNPFHYCR-NVXWUHKLSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267113171 836802063 /nfs/dbraw/zinc/80/20/63/836802063.db2.gz FSEJAZGNPFHYCR-NVXWUHKLSA-N 2 1 338.496 0.798 20 30 ECEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267308579 837183508 /nfs/dbraw/zinc/18/35/08/837183508.db2.gz BWQBOXXIIWOWGZ-HZPDHXFCSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267308579 837183514 /nfs/dbraw/zinc/18/35/14/837183514.db2.gz BWQBOXXIIWOWGZ-HZPDHXFCSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267308579 837183518 /nfs/dbraw/zinc/18/35/18/837183518.db2.gz BWQBOXXIIWOWGZ-HZPDHXFCSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267308579 837183523 /nfs/dbraw/zinc/18/35/23/837183523.db2.gz BWQBOXXIIWOWGZ-HZPDHXFCSA-N 2 1 325.453 0.348 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001267324971 837203749 /nfs/dbraw/zinc/20/37/49/837203749.db2.gz AHGOQIRLUDRJGF-IIAWOOMASA-N 2 1 336.480 0.598 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001267324971 837203756 /nfs/dbraw/zinc/20/37/56/837203756.db2.gz AHGOQIRLUDRJGF-IIAWOOMASA-N 2 1 336.480 0.598 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001267324971 837203762 /nfs/dbraw/zinc/20/37/62/837203762.db2.gz AHGOQIRLUDRJGF-IIAWOOMASA-N 2 1 336.480 0.598 20 30 ECEDMP C=CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001267324971 837203766 /nfs/dbraw/zinc/20/37/66/837203766.db2.gz AHGOQIRLUDRJGF-IIAWOOMASA-N 2 1 336.480 0.598 20 30 ECEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267585773 837860969 /nfs/dbraw/zinc/86/09/69/837860969.db2.gz CEMSTMCDXYORBS-INIZCTEOSA-N 2 1 346.475 0.145 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001279242807 838615360 /nfs/dbraw/zinc/61/53/60/838615360.db2.gz ZCQPGPFKFAEGCX-JCYILVPMSA-N 2 1 346.475 0.189 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001279242807 838615365 /nfs/dbraw/zinc/61/53/65/838615365.db2.gz ZCQPGPFKFAEGCX-JCYILVPMSA-N 2 1 346.475 0.189 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000340215832 437604298 /nfs/dbraw/zinc/60/42/98/437604298.db2.gz VMWPGQAAWHYZJY-OAHLLOKOSA-N 2 1 336.480 0.601 20 30 ECEDMP Cc1nc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)sc1C ZINC000123535323 436740742 /nfs/dbraw/zinc/74/07/42/436740742.db2.gz UHIVSCFFAPXIHC-UHFFFAOYSA-N 2 1 325.482 0.929 20 30 ECEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934254 436897991 /nfs/dbraw/zinc/89/79/91/436897991.db2.gz CCOUAROKFGMFEF-CVEARBPZSA-N 2 1 346.479 0.356 20 30 ECEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262592911 436938256 /nfs/dbraw/zinc/93/82/56/436938256.db2.gz VKSLEBGYHWVSFD-UHFFFAOYSA-N 2 1 344.419 0.818 20 30 ECEDMP COCCNC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264092834 437017133 /nfs/dbraw/zinc/01/71/33/437017133.db2.gz LLWORXAINFJKBT-UHFFFAOYSA-N 2 1 333.480 0.745 20 30 ECEDMP C=CCNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264106113 437017286 /nfs/dbraw/zinc/01/72/86/437017286.db2.gz PLLJNPVSIIFNEI-UHFFFAOYSA-N 2 1 345.447 0.938 20 30 ECEDMP CCNC(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264148421 437019565 /nfs/dbraw/zinc/01/95/65/437019565.db2.gz YPZXDXXBTMEHQT-UHFFFAOYSA-N 2 1 347.463 0.563 20 30 ECEDMP C[NH+]=C(NCCc1nccs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179076950 437250794 /nfs/dbraw/zinc/25/07/94/437250794.db2.gz ICNOPGKIIZHCCN-CQSZACIVSA-N 2 1 337.493 0.915 20 30 ECEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000267452619 437327630 /nfs/dbraw/zinc/32/76/30/437327630.db2.gz RVNHJJGWLJGSNT-OAHLLOKOSA-N 2 1 349.479 0.396 20 30 ECEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000343757531 437646830 /nfs/dbraw/zinc/64/68/30/437646830.db2.gz GHELJHKKONIQIE-ZBFHGGJFSA-N 2 1 336.480 0.742 20 30 ECEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000343759716 437648409 /nfs/dbraw/zinc/64/84/09/437648409.db2.gz DHUVGFQLABSFGK-HOCLYGCPSA-N 2 1 334.464 0.306 20 30 ECEDMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424150677 437894780 /nfs/dbraw/zinc/89/47/80/437894780.db2.gz ZFDYJRVBSANEAS-CVEARBPZSA-N 2 1 344.463 0.729 20 30 ECEDMP Cc1cc(N2CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC2)nc(C)[nH+]1 ZINC000566110826 439008456 /nfs/dbraw/zinc/00/84/56/439008456.db2.gz REZXFNZQAIXFHP-QGZVFWFLSA-N 2 1 346.479 0.858 20 30 ECEDMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591419213 439012359 /nfs/dbraw/zinc/01/23/59/439012359.db2.gz RIYAJDGYEUUVDD-CQSZACIVSA-N 2 1 343.431 0.056 20 30 ECEDMP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591419213 439012364 /nfs/dbraw/zinc/01/23/64/439012364.db2.gz RIYAJDGYEUUVDD-CQSZACIVSA-N 2 1 343.431 0.056 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000491427910 439382712 /nfs/dbraw/zinc/38/27/12/439382712.db2.gz MMJUVASIEYYYNS-DLBZAZTESA-N 2 1 336.480 0.869 20 30 ECEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000491706615 439430685 /nfs/dbraw/zinc/43/06/85/439430685.db2.gz NMPLAKKRQQEXRZ-OAHLLOKOSA-N 2 1 332.452 0.753 20 30 ECEDMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441017 439563341 /nfs/dbraw/zinc/56/33/41/439563341.db2.gz LAFVGBJTGNGXTI-OAHLLOKOSA-N 2 1 337.468 0.504 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000732106085 578319758 /nfs/dbraw/zinc/31/97/58/578319758.db2.gz HBJSTPJOMJEPTQ-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000732106085 578319759 /nfs/dbraw/zinc/31/97/59/578319759.db2.gz HBJSTPJOMJEPTQ-SFHVURJKSA-N 2 1 332.492 0.570 20 30 ECEDMP C(#CC[NH+]1CCC2(CC1)OCCO2)C[NH+]1CCC2(CC1)OCCO2 ZINC000788473903 578838177 /nfs/dbraw/zinc/83/81/77/578838177.db2.gz BTRBXZMFHJLNFU-UHFFFAOYSA-N 2 1 336.432 0.668 20 30 ECEDMP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000841071838 588977415 /nfs/dbraw/zinc/97/74/15/588977415.db2.gz RXGHHTGMZBJTBV-RDJZCZTQSA-N 2 1 343.431 0.794 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000804644796 587089535 /nfs/dbraw/zinc/08/95/35/587089535.db2.gz NPHGAUPJIGUYBT-HMQMGEFJSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000804644796 587089537 /nfs/dbraw/zinc/08/95/37/587089537.db2.gz NPHGAUPJIGUYBT-HMQMGEFJSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000804644796 587089539 /nfs/dbraw/zinc/08/95/39/587089539.db2.gz NPHGAUPJIGUYBT-HMQMGEFJSA-N 2 1 346.475 0.284 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000804644796 587089541 /nfs/dbraw/zinc/08/95/41/587089541.db2.gz NPHGAUPJIGUYBT-HMQMGEFJSA-N 2 1 346.475 0.284 20 30 ECEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000820086494 587508336 /nfs/dbraw/zinc/50/83/36/587508336.db2.gz GBXXGCMUXJPWIC-RDJZCZTQSA-N 2 1 338.496 0.986 20 30 ECEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000820086494 587508338 /nfs/dbraw/zinc/50/83/38/587508338.db2.gz GBXXGCMUXJPWIC-RDJZCZTQSA-N 2 1 338.496 0.986 20 30 ECEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846166795 589189743 /nfs/dbraw/zinc/18/97/43/589189743.db2.gz CUWHQPIKDZYCIJ-BBWFWOEESA-N 2 1 336.480 0.869 20 30 ECEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC(=O)NC1CCCCC1 ZINC000104176688 591052976 /nfs/dbraw/zinc/05/29/76/591052976.db2.gz VHGFQOVGFSDIND-UHFFFAOYSA-N 2 1 339.484 0.452 20 30 ECEDMP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000104174712 591053294 /nfs/dbraw/zinc/05/32/94/591053294.db2.gz PLFPUTSUIXDMHD-DLBZAZTESA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000104174712 591053298 /nfs/dbraw/zinc/05/32/98/591053298.db2.gz PLFPUTSUIXDMHD-DLBZAZTESA-N 3 1 338.544 0.649 20 30 ECEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000104174712 591053302 /nfs/dbraw/zinc/05/33/02/591053302.db2.gz PLFPUTSUIXDMHD-DLBZAZTESA-N 3 1 338.544 0.649 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361546 591150536 /nfs/dbraw/zinc/15/05/36/591150536.db2.gz UIMSUZGLYIKSMS-DOTOQJQBSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361546 591150538 /nfs/dbraw/zinc/15/05/38/591150538.db2.gz UIMSUZGLYIKSMS-DOTOQJQBSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361546 591150542 /nfs/dbraw/zinc/15/05/42/591150542.db2.gz UIMSUZGLYIKSMS-DOTOQJQBSA-N 2 1 334.464 0.325 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000890361546 591150545 /nfs/dbraw/zinc/15/05/45/591150545.db2.gz UIMSUZGLYIKSMS-DOTOQJQBSA-N 2 1 334.464 0.325 20 30 ECEDMP C[NH+]=C(NCCc1ccco1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000154580431 611354577 /nfs/dbraw/zinc/35/45/77/611354577.db2.gz AEPZJNCIKOSJIX-MRXNPFEDSA-N 2 1 347.463 0.636 20 30 ECEDMP C=C(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000909879590 609699330 /nfs/dbraw/zinc/69/93/30/609699330.db2.gz WUXXXCGYORQIRI-UHFFFAOYSA-N 2 1 325.453 0.492 20 30 ECEDMP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910886029 609773717 /nfs/dbraw/zinc/77/37/17/609773717.db2.gz JEIBBLAXOSRWGB-RDJZCZTQSA-N 2 1 346.475 0.095 20 30 ECEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccon3)C2)CC1 ZINC000939808768 610136271 /nfs/dbraw/zinc/13/62/71/610136271.db2.gz GNYARLMQNYTNBN-RHSMWYFYSA-N 2 1 330.432 0.956 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000941464907 610333811 /nfs/dbraw/zinc/33/38/11/610333811.db2.gz BVFHTULZCSCTQP-SJORKVTESA-N 2 1 348.491 0.485 20 30 ECEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676876 610449433 /nfs/dbraw/zinc/44/94/33/610449433.db2.gz GFYKWKRRYHSBPH-IRXDYDNUSA-N 2 1 332.492 0.711 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000942433366 610458051 /nfs/dbraw/zinc/45/80/51/610458051.db2.gz AWHCZWHBNLFQJI-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000942433366 610458053 /nfs/dbraw/zinc/45/80/53/610458053.db2.gz AWHCZWHBNLFQJI-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000942433366 610458056 /nfs/dbraw/zinc/45/80/56/610458056.db2.gz AWHCZWHBNLFQJI-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000942433366 610458058 /nfs/dbraw/zinc/45/80/58/610458058.db2.gz AWHCZWHBNLFQJI-BBWFWOEESA-N 2 1 346.475 0.143 20 30 ECEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058432 610636495 /nfs/dbraw/zinc/63/64/95/610636495.db2.gz XTYCLRRAZGGNIJ-HOTGVXAUSA-N 2 1 331.464 0.908 20 30 ECEDMP CC#CCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408360 610722547 /nfs/dbraw/zinc/72/25/47/610722547.db2.gz CEAQNXUZDCLATR-ROUUACIJSA-N 2 1 344.503 0.713 20 30 ECEDMP