smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC000430151842 927364608 /nfs/dbraw/zinc/36/46/08/927364608.db2.gz VGGXZZXDVFRHMN-PKTZIBPZSA-N 2 1 374.532 3.568 20 30 FHEDMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC000430151842 927364619 /nfs/dbraw/zinc/36/46/19/927364619.db2.gz VGGXZZXDVFRHMN-PKTZIBPZSA-N 2 1 374.532 3.568 20 30 FHEDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000187232568 929621168 /nfs/dbraw/zinc/62/11/68/929621168.db2.gz BJVBQBCYYKYKFV-UHFFFAOYSA-N 2 1 373.504 3.596 20 30 FHEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160662952 931269794 /nfs/dbraw/zinc/26/97/94/931269794.db2.gz GRWMWZMPQLQLIY-CQSZACIVSA-N 2 1 372.435 3.966 20 30 FHEDMP CC[N@@H+](CCC1CC[NH+](CCOc2cccc(C#N)c2)CC1)CC1CC1 ZINC000538950010 934971220 /nfs/dbraw/zinc/97/12/20/934971220.db2.gz RSIMILFATNLFAM-UHFFFAOYSA-N 2 1 355.526 3.771 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000657323429 935214222 /nfs/dbraw/zinc/21/42/22/935214222.db2.gz BAPVVEXUTLCVTI-UHFFFAOYSA-N 2 1 367.541 3.909 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)nn1 ZINC000657323429 935214226 /nfs/dbraw/zinc/21/42/26/935214226.db2.gz BAPVVEXUTLCVTI-UHFFFAOYSA-N 2 1 367.541 3.909 20 30 FHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCC(C)(C)C#N)CC2)CC1 ZINC000375718514 935850577 /nfs/dbraw/zinc/85/05/77/935850577.db2.gz JFBWGBYNCWUYCT-UHFFFAOYSA-N 2 1 362.606 3.835 20 30 FHEDMP C[N@H+](CCCCC(C)(C)C#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375718514 935850580 /nfs/dbraw/zinc/85/05/80/935850580.db2.gz JFBWGBYNCWUYCT-UHFFFAOYSA-N 3 1 362.606 3.835 20 30 FHEDMP C[N@@H+](CCCCC(C)(C)C#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375718514 935850585 /nfs/dbraw/zinc/85/05/85/935850585.db2.gz JFBWGBYNCWUYCT-UHFFFAOYSA-N 3 1 362.606 3.835 20 30 FHEDMP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411097 938576615 /nfs/dbraw/zinc/57/66/15/938576615.db2.gz YSNUNYGOJDDAIJ-MDNUFGMLSA-N 2 1 353.554 3.527 20 30 FHEDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812626 939927856 /nfs/dbraw/zinc/92/78/56/939927856.db2.gz RIUPMCLWNYYDDR-VPWXQRGCSA-N 2 1 355.507 3.994 20 30 FHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812626 939927858 /nfs/dbraw/zinc/92/78/58/939927858.db2.gz RIUPMCLWNYYDDR-VPWXQRGCSA-N 2 1 355.507 3.994 20 30 FHEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000513505908 941968510 /nfs/dbraw/zinc/96/85/10/941968510.db2.gz MYSABWAOBYSMLH-UYAOXDASSA-N 2 1 373.504 3.596 20 30 FHEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713344 942443112 /nfs/dbraw/zinc/44/31/12/942443112.db2.gz NSVZELGWDFDNNJ-IMPXWGQXSA-N 2 1 353.510 3.711 20 30 FHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261938312 944363227 /nfs/dbraw/zinc/36/32/27/944363227.db2.gz FZJGUZPFKWJBCT-KSSFIOAISA-N 2 1 366.912 3.709 20 30 FHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281354407 945602868 /nfs/dbraw/zinc/60/28/68/945602868.db2.gz NIUYMDPHBPCJFJ-XVAYZXCPSA-N 2 1 369.553 3.833 20 30 FHEDMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608732 947357392 /nfs/dbraw/zinc/35/73/92/947357392.db2.gz FNUKLZLOFMNBEQ-RXVVDRJESA-N 2 1 363.505 3.957 20 30 FHEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000481665170 568083694 /nfs/dbraw/zinc/08/36/94/568083694.db2.gz XIKPLECXOYXHPC-SVMVAKDDSA-N 2 1 355.526 3.805 20 30 FHEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160614590 931069674 /nfs/dbraw/zinc/06/96/74/931069674.db2.gz DTSDTQNPMJNDHE-CYBMUJFWSA-N 2 1 358.408 3.576 20 30 FHEDMP C[N@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000380419046 933500989 /nfs/dbraw/zinc/50/09/89/933500989.db2.gz HGQBCMVGDUXIGM-UHFFFAOYSA-N 2 1 363.505 3.924 20 30 FHEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000380419046 933501010 /nfs/dbraw/zinc/50/10/10/933501010.db2.gz HGQBCMVGDUXIGM-UHFFFAOYSA-N 2 1 363.505 3.924 20 30 FHEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053135 940329411 /nfs/dbraw/zinc/32/94/11/940329411.db2.gz RYDYEHYBSRQMOA-GOSISDBHSA-N 2 1 365.525 3.560 20 30 FHEDMP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000236694759 943627623 /nfs/dbraw/zinc/62/76/23/943627623.db2.gz JRKQJUOMUAMHIB-NOTZXAQLSA-N 2 1 360.501 3.984 20 30 FHEDMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000584811004 943650278 /nfs/dbraw/zinc/65/02/78/943650278.db2.gz XKLBDRSHMOZIMJ-ZEQRLZLVSA-N 2 1 374.532 3.514 20 30 FHEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520086 946600872 /nfs/dbraw/zinc/60/08/72/946600872.db2.gz IERGEMONFQLRKI-RDJZCZTQSA-N 2 1 370.463 3.568 20 30 FHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602515938 567986655 /nfs/dbraw/zinc/98/66/55/567986655.db2.gz FBLRQGDRHCRVMK-LJQANCHMSA-N 2 1 355.526 3.648 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574561 567996479 /nfs/dbraw/zinc/99/64/79/567996479.db2.gz BKDXJAQSBXTRJS-SJBKTWHCSA-N 2 1 369.553 3.976 20 30 FHEDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OCCCC#N ZINC000105456805 935087102 /nfs/dbraw/zinc/08/71/02/935087102.db2.gz TULKZHJLZRBZSU-IBGZPJMESA-N 2 1 359.514 3.588 20 30 FHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000582802144 936142826 /nfs/dbraw/zinc/14/28/26/936142826.db2.gz ZXEOFDQIOGIALM-UHFFFAOYSA-N 2 1 362.521 3.769 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000628280206 940154158 /nfs/dbraw/zinc/15/41/58/940154158.db2.gz WAGCPSRIYOFWLA-UHFFFAOYSA-N 2 1 363.889 3.940 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000628280206 940154162 /nfs/dbraw/zinc/15/41/62/940154162.db2.gz WAGCPSRIYOFWLA-UHFFFAOYSA-N 2 1 363.889 3.940 20 30 FHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(Cl)ccc1C#N ZINC000431804669 940618185 /nfs/dbraw/zinc/61/81/85/940618185.db2.gz LPALNSZZCLWHRK-UHFFFAOYSA-N 2 1 374.960 3.844 20 30 FHEDMP CC[C@H](c1ccncc1)[N@@H+](C)CC#CC[NH+](C)[C@@H](CC)c1ccncc1 ZINC000472565991 940833062 /nfs/dbraw/zinc/83/30/62/940833062.db2.gz CNIOMZXABPAWIM-SZPZYZBQSA-N 2 1 350.510 3.946 20 30 FHEDMP CC[C@H](c1ccncc1)[NH+](C)CC#CC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000472565991 940833064 /nfs/dbraw/zinc/83/30/64/940833064.db2.gz CNIOMZXABPAWIM-SZPZYZBQSA-N 2 1 350.510 3.946 20 30 FHEDMP CC[C@H](c1ccncc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000472565991 940833066 /nfs/dbraw/zinc/83/30/66/940833066.db2.gz CNIOMZXABPAWIM-SZPZYZBQSA-N 2 1 350.510 3.946 20 30 FHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712156 941983357 /nfs/dbraw/zinc/98/33/57/941983357.db2.gz WLGMJLZZMPUSPI-DENIHFKCSA-N 2 1 363.505 3.979 20 30 FHEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127107 943221600 /nfs/dbraw/zinc/22/16/00/943221600.db2.gz OPQWZRSUXKDROU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127107 943221603 /nfs/dbraw/zinc/22/16/03/943221603.db2.gz OPQWZRSUXKDROU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127107 943221607 /nfs/dbraw/zinc/22/16/07/943221607.db2.gz OPQWZRSUXKDROU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127107 943221610 /nfs/dbraw/zinc/22/16/10/943221610.db2.gz OPQWZRSUXKDROU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000505052368 944013275 /nfs/dbraw/zinc/01/32/75/944013275.db2.gz RSMRHRUHRVDSPF-HXUWFJFHSA-N 2 1 372.557 3.685 20 30 FHEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905425 946583231 /nfs/dbraw/zinc/58/32/31/946583231.db2.gz FWXNLYRDOCYDAY-FQEVSTJZSA-N 2 1 363.505 3.959 20 30 FHEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000520683901 948580587 /nfs/dbraw/zinc/58/05/87/948580587.db2.gz YVLFGRNRKVSMKB-UHFFFAOYSA-N 2 1 360.299 3.872 20 30 FHEDMP C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005431 567835906 /nfs/dbraw/zinc/83/59/06/567835906.db2.gz CVRYBWXJOVDKPY-MZRZTIOWSA-N 2 1 361.917 3.752 20 30 FHEDMP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)cn1 ZINC000366009702 567930046 /nfs/dbraw/zinc/93/00/46/567930046.db2.gz LUBPJOBGDQEDDA-CYBMUJFWSA-N 2 1 351.841 3.952 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574560 567996497 /nfs/dbraw/zinc/99/64/97/567996497.db2.gz BKDXJAQSBXTRJS-RZUBCFFCSA-N 2 1 369.553 3.976 20 30 FHEDMP N#CCC[C@H](C#N)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602863573 568007677 /nfs/dbraw/zinc/00/76/77/568007677.db2.gz OJAKEABJWHOAMN-OAQYLSRUSA-N 2 1 350.510 3.808 20 30 FHEDMP N#CC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000602678014 568009483 /nfs/dbraw/zinc/00/94/83/568009483.db2.gz ZQHURQYKOAESHH-IRQNMHNUSA-N 2 1 367.537 3.587 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1 ZINC000657313149 935116635 /nfs/dbraw/zinc/11/66/35/935116635.db2.gz GJHAHQGAXMMQJE-OALUTQOASA-N 2 1 367.541 3.622 20 30 FHEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000376163528 940396235 /nfs/dbraw/zinc/39/62/35/940396235.db2.gz BXYJMEPVZGRENB-HNNXBMFYSA-N 2 1 354.523 3.886 20 30 FHEDMP C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377700029 941910872 /nfs/dbraw/zinc/91/08/72/941910872.db2.gz RRAIQLIOZYDJRU-UHFFFAOYSA-N 2 1 358.848 3.847 20 30 FHEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000513505905 941968439 /nfs/dbraw/zinc/96/84/39/941968439.db2.gz MYSABWAOBYSMLH-ICSRJNTNSA-N 2 1 373.504 3.596 20 30 FHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712158 941983494 /nfs/dbraw/zinc/98/34/94/941983494.db2.gz WLGMJLZZMPUSPI-SIKLNZKXSA-N 2 1 363.505 3.979 20 30 FHEDMP CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420899867 942244919 /nfs/dbraw/zinc/24/49/19/942244919.db2.gz GTUFJVKBBOBLAS-UHFFFAOYSA-N 2 1 363.505 3.801 20 30 FHEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420899867 942244923 /nfs/dbraw/zinc/24/49/23/942244923.db2.gz GTUFJVKBBOBLAS-UHFFFAOYSA-N 2 1 363.505 3.801 20 30 FHEDMP CN(c1ccccc1C[NH2+]Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000759820887 944414983 /nfs/dbraw/zinc/41/49/83/944414983.db2.gz YYZLETDVOQOABK-UHFFFAOYSA-N 2 1 366.484 3.518 20 30 FHEDMP CC[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000506560291 944569447 /nfs/dbraw/zinc/56/94/47/944569447.db2.gz IIALIGCSASCMLM-UHFFFAOYSA-N 2 1 374.532 3.865 20 30 FHEDMP N#CCc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000519399658 945377531 /nfs/dbraw/zinc/37/75/31/945377531.db2.gz ZYCNKBLBQSXTOV-UHFFFAOYSA-N 2 1 351.469 3.688 20 30 FHEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000281895613 945908135 /nfs/dbraw/zinc/90/81/35/945908135.db2.gz FDXODVUBBIIEKM-OAQYLSRUSA-N 2 1 355.526 3.541 20 30 FHEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281895613 945908140 /nfs/dbraw/zinc/90/81/40/945908140.db2.gz FDXODVUBBIIEKM-OAQYLSRUSA-N 2 1 355.526 3.541 20 30 FHEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281895613 945908146 /nfs/dbraw/zinc/90/81/46/945908146.db2.gz FDXODVUBBIIEKM-OAQYLSRUSA-N 2 1 355.526 3.541 20 30 FHEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905646 946494279 /nfs/dbraw/zinc/49/42/79/946494279.db2.gz GOKKDAUOLZKQDU-HXUWFJFHSA-N 2 1 363.505 3.957 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1F ZINC000303884006 946723576 /nfs/dbraw/zinc/72/35/76/946723576.db2.gz MNCPIZXTFWQOSH-UHFFFAOYSA-N 2 1 351.429 3.863 20 30 FHEDMP N#CCCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601966661 567889184 /nfs/dbraw/zinc/88/91/84/567889184.db2.gz SRUMUEASYKBKOI-DHIUTWEWSA-N 2 1 363.505 3.648 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602565535 567995581 /nfs/dbraw/zinc/99/55/81/567995581.db2.gz RUSACCIUBMCLOM-SBHAEUEKSA-N 2 1 355.526 3.728 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602565535 567995582 /nfs/dbraw/zinc/99/55/82/567995582.db2.gz RUSACCIUBMCLOM-SBHAEUEKSA-N 2 1 355.526 3.728 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602565534 567995593 /nfs/dbraw/zinc/99/55/93/567995593.db2.gz RUSACCIUBMCLOM-DYXWJJEUSA-N 2 1 355.526 3.728 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602565534 567995594 /nfs/dbraw/zinc/99/55/94/567995594.db2.gz RUSACCIUBMCLOM-DYXWJJEUSA-N 2 1 355.526 3.728 20 30 FHEDMP N#Cc1ccc2ncc(CNC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000569175676 568304679 /nfs/dbraw/zinc/30/46/79/568304679.db2.gz RDVDLNNIXKEQFN-OAQYLSRUSA-N 2 1 373.504 3.598 20 30 FHEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000569175676 568304680 /nfs/dbraw/zinc/30/46/80/568304680.db2.gz RDVDLNNIXKEQFN-OAQYLSRUSA-N 2 1 373.504 3.598 20 30 FHEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000569175676 568304681 /nfs/dbraw/zinc/30/46/81/568304681.db2.gz RDVDLNNIXKEQFN-OAQYLSRUSA-N 2 1 373.504 3.598 20 30 FHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696033 /nfs/dbraw/zinc/69/60/33/930696033.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696021 /nfs/dbraw/zinc/69/60/21/930696021.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696031 /nfs/dbraw/zinc/69/60/31/930696031.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 2 1 369.534 3.761 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000628163829 936156477 /nfs/dbraw/zinc/15/64/77/936156477.db2.gz UJJISQFBVOLWPJ-UHFFFAOYSA-N 2 1 352.906 3.687 20 30 FHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377264911 941603655 /nfs/dbraw/zinc/60/36/55/941603655.db2.gz BWLAHBQRXBXPCX-LJQANCHMSA-N 2 1 368.569 3.747 20 30 FHEDMP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377264911 941603659 /nfs/dbraw/zinc/60/36/59/941603659.db2.gz BWLAHBQRXBXPCX-LJQANCHMSA-N 3 1 368.569 3.747 20 30 FHEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377264911 941603661 /nfs/dbraw/zinc/60/36/61/941603661.db2.gz BWLAHBQRXBXPCX-LJQANCHMSA-N 3 1 368.569 3.747 20 30 FHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377761742 941973565 /nfs/dbraw/zinc/97/35/65/941973565.db2.gz NGZKPXRJSLGOCA-GMAHTHKFSA-N 2 1 362.521 3.819 20 30 FHEDMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000420898337 942243982 /nfs/dbraw/zinc/24/39/82/942243982.db2.gz COTNJJZUMWUNRF-IBGZPJMESA-N 2 1 363.505 3.974 20 30 FHEDMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000420898337 942243983 /nfs/dbraw/zinc/24/39/83/942243983.db2.gz COTNJJZUMWUNRF-IBGZPJMESA-N 2 1 363.505 3.974 20 30 FHEDMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000420898337 942243987 /nfs/dbraw/zinc/24/39/87/942243987.db2.gz COTNJJZUMWUNRF-IBGZPJMESA-N 2 1 363.505 3.974 20 30 FHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261938317 944363049 /nfs/dbraw/zinc/36/30/49/944363049.db2.gz FZJGUZPFKWJBCT-RDTXWAMCSA-N 2 1 366.912 3.709 20 30 FHEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905424 946583830 /nfs/dbraw/zinc/58/38/30/946583830.db2.gz FWXNLYRDOCYDAY-HXUWFJFHSA-N 2 1 363.505 3.959 20 30 FHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000303987931 946753590 /nfs/dbraw/zinc/75/35/90/946753590.db2.gz JRMCLWKOYLQMDP-HXUWFJFHSA-N 2 1 350.510 3.704 20 30 FHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]2CC ZINC001167821717 948082333 /nfs/dbraw/zinc/08/23/33/948082333.db2.gz FJBBLIFCLXNGCX-SJBKTWHCSA-N 2 1 363.590 3.919 20 30 FHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167824231 948104562 /nfs/dbraw/zinc/10/45/62/948104562.db2.gz OABMACSLBJRAJR-PWRODBHTSA-N 2 1 352.563 3.571 20 30 FHEDMP C[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000182081802 948542189 /nfs/dbraw/zinc/54/21/89/948542189.db2.gz MGXGTCCGBRECQL-ZEQRLZLVSA-N 2 1 374.532 3.558 20 30 FHEDMP C[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000182081802 948542197 /nfs/dbraw/zinc/54/21/97/948542197.db2.gz MGXGTCCGBRECQL-ZEQRLZLVSA-N 2 1 374.532 3.558 20 30 FHEDMP N#CCCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601966663 567889135 /nfs/dbraw/zinc/88/91/35/567889135.db2.gz SRUMUEASYKBKOI-PKTZIBPZSA-N 2 1 363.505 3.648 20 30 FHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000541915173 568233990 /nfs/dbraw/zinc/23/39/90/568233990.db2.gz BFWFXYCPPULZGZ-UZLBHIALSA-N 2 1 367.468 3.505 20 30 FHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000541915173 568233991 /nfs/dbraw/zinc/23/39/91/568233991.db2.gz BFWFXYCPPULZGZ-UZLBHIALSA-N 2 1 367.468 3.505 20 30 FHEDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000312811849 930565601 /nfs/dbraw/zinc/56/56/01/930565601.db2.gz BQNWADZEJBKFNJ-UNMCSNQZSA-N 2 1 361.489 3.521 20 30 FHEDMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000312811849 930565605 /nfs/dbraw/zinc/56/56/05/930565605.db2.gz BQNWADZEJBKFNJ-UNMCSNQZSA-N 2 1 361.489 3.521 20 30 FHEDMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000312811849 930565608 /nfs/dbraw/zinc/56/56/08/930565608.db2.gz BQNWADZEJBKFNJ-UNMCSNQZSA-N 2 1 361.489 3.521 20 30 FHEDMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000312811849 930565610 /nfs/dbraw/zinc/56/56/10/930565610.db2.gz BQNWADZEJBKFNJ-UNMCSNQZSA-N 2 1 361.489 3.521 20 30 FHEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000376163529 940396069 /nfs/dbraw/zinc/39/60/69/940396069.db2.gz BXYJMEPVZGRENB-OAHLLOKOSA-N 2 1 354.523 3.886 20 30 FHEDMP CC[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376470422 941062903 /nfs/dbraw/zinc/06/29/03/941062903.db2.gz CMZBQVJCYJKBHH-HSZRJFAPSA-N 3 1 368.569 3.795 20 30 FHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1C#N ZINC000431845153 941794602 /nfs/dbraw/zinc/79/46/02/941794602.db2.gz ZGTBOILLCLAWAH-UHFFFAOYSA-N 2 1 374.960 3.844 20 30 FHEDMP N#CC1(CCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758811 941965189 /nfs/dbraw/zinc/96/51/89/941965189.db2.gz IRYHSBJPSVQZRF-FCHUYYIVSA-N 2 1 367.537 3.541 20 30 FHEDMP COCC[N@H+](C)CCCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000501783827 942671751 /nfs/dbraw/zinc/67/17/51/942671751.db2.gz AMZWQWZCADHNHT-UHFFFAOYSA-N 2 1 362.945 3.762 20 30 FHEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000501783827 942671755 /nfs/dbraw/zinc/67/17/55/942671755.db2.gz AMZWQWZCADHNHT-UHFFFAOYSA-N 2 1 362.945 3.762 20 30 FHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000517591513 944422806 /nfs/dbraw/zinc/42/28/06/944422806.db2.gz DYQDIRBGTBVFAY-JOCHJYFZSA-N 2 1 363.505 3.827 20 30 FHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000517591513 944422810 /nfs/dbraw/zinc/42/28/10/944422810.db2.gz DYQDIRBGTBVFAY-JOCHJYFZSA-N 2 1 363.505 3.827 20 30 FHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509837 945659085 /nfs/dbraw/zinc/65/90/85/945659085.db2.gz YRWIWXQOOXLRAU-CTNGQTDRSA-N 2 1 355.526 3.587 20 30 FHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509837 945659088 /nfs/dbraw/zinc/65/90/88/945659088.db2.gz YRWIWXQOOXLRAU-CTNGQTDRSA-N 2 1 355.526 3.587 20 30 FHEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520085 946600735 /nfs/dbraw/zinc/60/07/35/946600735.db2.gz IERGEMONFQLRKI-NVXWUHKLSA-N 2 1 370.463 3.568 20 30 FHEDMP C[N@@H+](CCCC1(C#N)CCOCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000282017833 946937932 /nfs/dbraw/zinc/93/79/32/946937932.db2.gz OYEOLFSHXBXAFP-UHFFFAOYSA-N 2 1 370.541 3.720 20 30 FHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]2CC ZINC001167821719 948078944 /nfs/dbraw/zinc/07/89/44/948078944.db2.gz FJBBLIFCLXNGCX-VWPQPMDRSA-N 2 1 363.590 3.919 20 30 FHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823960 948103027 /nfs/dbraw/zinc/10/30/27/948103027.db2.gz FZZYKVMQKDQYII-NJDAHSKKSA-N 2 1 352.563 3.571 20 30 FHEDMP C=CCOc1ccccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512188212 948748566 /nfs/dbraw/zinc/74/85/66/948748566.db2.gz WZTGATMKKZPADO-KDURUIRLSA-N 2 1 358.526 3.573 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000602549819 567990555 /nfs/dbraw/zinc/99/05/55/567990555.db2.gz FTHPLISAOXZHRN-AOIWGVFYSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000602549819 567990556 /nfs/dbraw/zinc/99/05/56/567990556.db2.gz FTHPLISAOXZHRN-AOIWGVFYSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160663491 931270762 /nfs/dbraw/zinc/27/07/62/931270762.db2.gz SBTDWMMVSSMPMV-AWEZNQCLSA-N 2 1 372.435 3.824 20 30 FHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000245693820 938310262 /nfs/dbraw/zinc/31/02/62/938310262.db2.gz AXRLUKXPNOZMQS-ICSRJNTNSA-N 2 1 356.510 3.709 20 30 FHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000245693820 938310263 /nfs/dbraw/zinc/31/02/63/938310263.db2.gz AXRLUKXPNOZMQS-ICSRJNTNSA-N 2 1 356.510 3.709 20 30 FHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000245693820 938310264 /nfs/dbraw/zinc/31/02/64/938310264.db2.gz AXRLUKXPNOZMQS-ICSRJNTNSA-N 2 1 356.510 3.709 20 30 FHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000245693820 938310265 /nfs/dbraw/zinc/31/02/65/938310265.db2.gz AXRLUKXPNOZMQS-ICSRJNTNSA-N 2 1 356.510 3.709 20 30 FHEDMP N#CCCn1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccccc2)n1 ZINC000092071619 940311092 /nfs/dbraw/zinc/31/10/92/940311092.db2.gz IDSLQPDOFGQDIH-GOSISDBHSA-N 2 1 360.465 3.566 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459651 942792176 /nfs/dbraw/zinc/79/21/76/942792176.db2.gz GOOJQYSDCWZLFX-SZNDQCEHSA-N 2 1 364.424 3.576 20 30 FHEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000236688171 943234053 /nfs/dbraw/zinc/23/40/53/943234053.db2.gz BWXNLBTWTZQCAT-SFHVURJKSA-N 2 1 354.519 3.762 20 30 FHEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000236688171 943234057 /nfs/dbraw/zinc/23/40/57/943234057.db2.gz BWXNLBTWTZQCAT-SFHVURJKSA-N 2 1 354.519 3.762 20 30 FHEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000584756221 943537363 /nfs/dbraw/zinc/53/73/63/943537363.db2.gz FMUHKLRGBXQTOI-UHFFFAOYSA-N 2 1 364.331 3.873 20 30 FHEDMP N#Cc1c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036238 945055586 /nfs/dbraw/zinc/05/55/86/945055586.db2.gz PADFIBZFUDLIFB-SFTDATJTSA-N 2 1 370.500 3.765 20 30 FHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509841 945659469 /nfs/dbraw/zinc/65/94/69/945659469.db2.gz YRWIWXQOOXLRAU-FPOVZHCZSA-N 2 1 355.526 3.587 20 30 FHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509841 945659476 /nfs/dbraw/zinc/65/94/76/945659476.db2.gz YRWIWXQOOXLRAU-FPOVZHCZSA-N 2 1 355.526 3.587 20 30 FHEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905371 946506374 /nfs/dbraw/zinc/50/63/74/946506374.db2.gz JQTIWTANOKFFJX-UHFFFAOYSA-N 2 1 360.461 3.822 20 30 FHEDMP C[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000182081820 948542357 /nfs/dbraw/zinc/54/23/57/948542357.db2.gz MGXGTCCGBRECQL-RPWUZVMVSA-N 2 1 374.532 3.558 20 30 FHEDMP C[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000182081820 948542364 /nfs/dbraw/zinc/54/23/64/948542364.db2.gz MGXGTCCGBRECQL-RPWUZVMVSA-N 2 1 374.532 3.558 20 30 FHEDMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000583234464 937264652 /nfs/dbraw/zinc/26/46/52/937264652.db2.gz RJUPPBXTSSSLRU-DKUWSORSSA-N 2 1 361.489 3.852 20 30 FHEDMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000583234464 937264655 /nfs/dbraw/zinc/26/46/55/937264655.db2.gz RJUPPBXTSSSLRU-DKUWSORSSA-N 2 1 361.489 3.852 20 30 FHEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180164403 929410889 /nfs/dbraw/zinc/41/08/89/929410889.db2.gz PCAHZXMYXJTTMM-AKIFATBCSA-N 2 1 353.554 3.527 20 30 FHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180164403 929410894 /nfs/dbraw/zinc/41/08/94/929410894.db2.gz PCAHZXMYXJTTMM-AKIFATBCSA-N 2 1 353.554 3.527 20 30 FHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180164403 929410898 /nfs/dbraw/zinc/41/08/98/929410898.db2.gz PCAHZXMYXJTTMM-AKIFATBCSA-N 2 1 353.554 3.527 20 30 FHEDMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OCCCC#N ZINC000064613892 931542671 /nfs/dbraw/zinc/54/26/71/931542671.db2.gz WKAQSKHLOXKJTA-UHFFFAOYSA-N 2 1 359.514 3.588 20 30 FHEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000262010390 934738600 /nfs/dbraw/zinc/73/86/00/934738600.db2.gz TWEMFDUGQUQMFZ-MRXNPFEDSA-N 2 1 368.550 3.876 20 30 FHEDMP CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915832 938416175 /nfs/dbraw/zinc/41/61/75/938416175.db2.gz SESWOWUOETXXJF-MAUKXSAKSA-N 2 1 354.416 3.599 20 30 FHEDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000278752843 938799391 /nfs/dbraw/zinc/79/93/91/938799391.db2.gz NXURNTPEPGQXLR-PKTZIBPZSA-N 2 1 363.505 3.756 20 30 FHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377761740 941973862 /nfs/dbraw/zinc/97/38/62/941973862.db2.gz NGZKPXRJSLGOCA-FYYLOGMGSA-N 2 1 362.521 3.819 20 30 FHEDMP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(C)C ZINC000514105595 942748776 /nfs/dbraw/zinc/74/87/76/942748776.db2.gz SJIRAGJJXZSLKP-JOCHJYFZSA-N 2 1 356.558 3.873 20 30 FHEDMP N#Cc1ccc(N2CCC(N[C@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423398992 943503183 /nfs/dbraw/zinc/50/31/83/943503183.db2.gz PGZYNELMBXVLKK-XMMPIXPASA-N 2 1 370.500 3.970 20 30 FHEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000517540973 944371437 /nfs/dbraw/zinc/37/14/37/944371437.db2.gz SMMIJJPZYQFZSM-UHFFFAOYSA-N 2 1 351.494 3.957 20 30 FHEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000517540973 944371444 /nfs/dbraw/zinc/37/14/44/944371444.db2.gz SMMIJJPZYQFZSM-UHFFFAOYSA-N 2 1 351.494 3.957 20 30 FHEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000507659004 945430524 /nfs/dbraw/zinc/43/05/24/945430524.db2.gz IRLHJZZPLWGVII-QTBVYMFASA-N 2 1 369.553 3.870 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000278847090 946423308 /nfs/dbraw/zinc/42/33/08/946423308.db2.gz DRWRQKKBWSRVMT-LJQANCHMSA-N 2 1 371.525 3.670 20 30 FHEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520082 946600759 /nfs/dbraw/zinc/60/07/59/946600759.db2.gz IERGEMONFQLRKI-DOTOQJQBSA-N 2 1 370.463 3.568 20 30 FHEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520088 946600773 /nfs/dbraw/zinc/60/07/73/946600773.db2.gz IERGEMONFQLRKI-WBVHZDCISA-N 2 1 370.463 3.568 20 30 FHEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298392 947720974 /nfs/dbraw/zinc/72/09/74/947720974.db2.gz VXKJGKOJAVARSF-SFHVURJKSA-N 2 1 373.566 3.615 20 30 FHEDMP C=CC[C@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCC[NH2+]1 ZINC000662685842 947979320 /nfs/dbraw/zinc/97/93/20/947979320.db2.gz YWQQNRDDNJUDBU-OAQYLSRUSA-N 2 1 352.482 3.692 20 30 FHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823974 948104526 /nfs/dbraw/zinc/10/45/26/948104526.db2.gz FZZYKVMQKDQYII-QHAWAJNXSA-N 2 1 352.563 3.571 20 30 FHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167824220 948108028 /nfs/dbraw/zinc/10/80/28/948108028.db2.gz OABMACSLBJRAJR-NJDAHSKKSA-N 2 1 352.563 3.571 20 30 FHEDMP C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005430 567835885 /nfs/dbraw/zinc/83/58/85/567835885.db2.gz CVRYBWXJOVDKPY-JTWUUNPKSA-N 2 1 361.917 3.752 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665908 568013632 /nfs/dbraw/zinc/01/36/32/568013632.db2.gz DSMMWMHISFKEEU-RBBKRZOGSA-N 2 1 369.553 3.977 20 30 FHEDMP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220730 568329778 /nfs/dbraw/zinc/32/97/78/568329778.db2.gz IOAYZNYKGWYRRH-UPZYVNNASA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220730 568329780 /nfs/dbraw/zinc/32/97/80/568329780.db2.gz IOAYZNYKGWYRRH-UPZYVNNASA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220730 568329781 /nfs/dbraw/zinc/32/97/81/568329781.db2.gz IOAYZNYKGWYRRH-UPZYVNNASA-N 2 1 371.525 3.519 20 30 FHEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1F ZINC000178795528 937179957 /nfs/dbraw/zinc/17/99/57/937179957.db2.gz AFNBSLWTDKQMMD-IAGOWNOFSA-N 2 1 351.469 3.944 20 30 FHEDMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581333532 931848002 /nfs/dbraw/zinc/84/80/02/931848002.db2.gz JYGBVOCZQOEZOX-UHFFFAOYSA-N 2 1 360.461 3.701 20 30 FHEDMP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000091084986 934556905 /nfs/dbraw/zinc/55/69/05/934556905.db2.gz ZHZUWKLGQYKYMB-UHFFFAOYSA-N 2 1 365.525 3.606 20 30 FHEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706737 938286596 /nfs/dbraw/zinc/28/65/96/938286596.db2.gz RQBHQJJRPHRYCV-QKLQHJQFSA-N 2 1 364.917 3.623 20 30 FHEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000513505902 941968520 /nfs/dbraw/zinc/96/85/20/941968520.db2.gz MYSABWAOBYSMLH-AZUAARDMSA-N 2 1 373.504 3.596 20 30 FHEDMP COc1cc(C#N)ccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000501205280 942352204 /nfs/dbraw/zinc/35/22/04/942352204.db2.gz NQDSXXKVLCCTJE-UHFFFAOYSA-N 2 1 363.505 3.911 20 30 FHEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H]2CCC[C@H]21 ZINC000513713346 942442682 /nfs/dbraw/zinc/44/26/82/942442682.db2.gz NSVZELGWDFDNNJ-PTAFHAGTSA-N 2 1 353.510 3.711 20 30 FHEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120143 942917414 /nfs/dbraw/zinc/91/74/14/942917414.db2.gz LPHVFRTWIPQHRU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120143 942917420 /nfs/dbraw/zinc/91/74/20/942917420.db2.gz LPHVFRTWIPQHRU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120143 942917425 /nfs/dbraw/zinc/91/74/25/942917425.db2.gz LPHVFRTWIPQHRU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120143 942917430 /nfs/dbraw/zinc/91/74/30/942917430.db2.gz LPHVFRTWIPQHRU-HSZRJFAPSA-N 2 1 361.489 3.665 20 30 FHEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127108 943221962 /nfs/dbraw/zinc/22/19/62/943221962.db2.gz OPQWZRSUXKDROU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127108 943221980 /nfs/dbraw/zinc/22/19/80/943221980.db2.gz OPQWZRSUXKDROU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127108 943221988 /nfs/dbraw/zinc/22/19/88/943221988.db2.gz OPQWZRSUXKDROU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127108 943221995 /nfs/dbraw/zinc/22/19/95/943221995.db2.gz OPQWZRSUXKDROU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000582101869 943369828 /nfs/dbraw/zinc/36/98/28/943369828.db2.gz JRWVTAYOFMYAFT-UHFFFAOYSA-N 2 1 368.443 3.989 20 30 FHEDMP C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000505052367 944013146 /nfs/dbraw/zinc/01/31/46/944013146.db2.gz RSMRHRUHRVDSPF-FQEVSTJZSA-N 2 1 372.557 3.685 20 30 FHEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000262010386 945473148 /nfs/dbraw/zinc/47/31/48/945473148.db2.gz TWEMFDUGQUQMFZ-INIZCTEOSA-N 2 1 368.550 3.876 20 30 FHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347354 945637039 /nfs/dbraw/zinc/63/70/39/945637039.db2.gz HMXUCZXMFKXPLC-CRAIPNDOSA-N 2 1 358.530 3.995 20 30 FHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347354 945637040 /nfs/dbraw/zinc/63/70/40/945637040.db2.gz HMXUCZXMFKXPLC-CRAIPNDOSA-N 2 1 358.530 3.995 20 30 FHEDMP N#Cc1ccccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994482 946903021 /nfs/dbraw/zinc/90/30/21/946903021.db2.gz GDYRAFGBQVZQDK-WCRBZPEASA-N 2 1 365.521 3.807 20 30 FHEDMP CC1CC[NH+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000066236855 948822789 /nfs/dbraw/zinc/82/27/89/948822789.db2.gz JENCMPLDLVGAES-UHFFFAOYSA-N 2 1 365.525 3.675 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000602524193 567987591 /nfs/dbraw/zinc/98/75/91/567987591.db2.gz KUUHYUDKEPFRBW-ROUUACIJSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000602524193 567987592 /nfs/dbraw/zinc/98/75/92/567987592.db2.gz KUUHYUDKEPFRBW-ROUUACIJSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602549440 567990461 /nfs/dbraw/zinc/99/04/61/567990461.db2.gz CNTSQBJKOSXOLW-MOPGFXCFSA-N 2 1 355.526 3.901 20 30 FHEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000481665169 568083906 /nfs/dbraw/zinc/08/39/06/568083906.db2.gz XIKPLECXOYXHPC-KGVIQGDOSA-N 2 1 355.526 3.805 20 30 FHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915171 568233456 /nfs/dbraw/zinc/23/34/56/568233456.db2.gz BFWFXYCPPULZGZ-OXJNMPFZSA-N 2 1 367.468 3.505 20 30 FHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915171 568233457 /nfs/dbraw/zinc/23/34/57/568233457.db2.gz BFWFXYCPPULZGZ-OXJNMPFZSA-N 2 1 367.468 3.505 20 30 FHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909755 /nfs/dbraw/zinc/90/97/55/930909755.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909762 /nfs/dbraw/zinc/90/97/62/930909762.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909770 /nfs/dbraw/zinc/90/97/70/930909770.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 2 1 369.534 3.761 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000657313148 935116317 /nfs/dbraw/zinc/11/63/17/935116317.db2.gz GJHAHQGAXMMQJE-KDURUIRLSA-N 2 1 367.541 3.622 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000657313148 935116323 /nfs/dbraw/zinc/11/63/23/935116323.db2.gz GJHAHQGAXMMQJE-KDURUIRLSA-N 2 1 367.541 3.622 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000628140405 936033244 /nfs/dbraw/zinc/03/32/44/936033244.db2.gz JOXJLUZSPTYWDK-OAHLLOKOSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000628140405 936033247 /nfs/dbraw/zinc/03/32/47/936033247.db2.gz JOXJLUZSPTYWDK-OAHLLOKOSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000628140405 936033250 /nfs/dbraw/zinc/03/32/50/936033250.db2.gz JOXJLUZSPTYWDK-OAHLLOKOSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1c(Cl)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000628140405 936033253 /nfs/dbraw/zinc/03/32/53/936033253.db2.gz JOXJLUZSPTYWDK-OAHLLOKOSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000245693814 938310195 /nfs/dbraw/zinc/31/01/95/938310195.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 2 1 356.510 3.709 20 30 FHEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000245693814 938310196 /nfs/dbraw/zinc/31/01/96/938310196.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 2 1 356.510 3.709 20 30 FHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000245693814 938310197 /nfs/dbraw/zinc/31/01/97/938310197.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 2 1 356.510 3.709 20 30 FHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000245693814 938310198 /nfs/dbraw/zinc/31/01/98/938310198.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 2 1 356.510 3.709 20 30 FHEDMP N#Cc1ccc(CCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cc1 ZINC001167679050 939014682 /nfs/dbraw/zinc/01/46/82/939014682.db2.gz JJYZTSMNFULIRW-FQEVSTJZSA-N 2 1 359.477 3.877 20 30 FHEDMP N#Cc1ccc(CCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cc1 ZINC001167679055 939014741 /nfs/dbraw/zinc/01/47/41/939014741.db2.gz JJYZTSMNFULIRW-HXUWFJFHSA-N 2 1 359.477 3.877 20 30 FHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812624 939927995 /nfs/dbraw/zinc/92/79/95/939927995.db2.gz RIUPMCLWNYYDDR-RIFZZMRRSA-N 2 1 355.507 3.994 20 30 FHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812624 939927997 /nfs/dbraw/zinc/92/79/97/939927997.db2.gz RIUPMCLWNYYDDR-RIFZZMRRSA-N 2 1 355.507 3.994 20 30 FHEDMP CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000180814679 941081236 /nfs/dbraw/zinc/08/12/36/941081236.db2.gz OBLYGFGRVQKQFP-GOSISDBHSA-N 2 1 359.514 3.729 20 30 FHEDMP C=CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000420907930 942248172 /nfs/dbraw/zinc/24/81/72/942248172.db2.gz WBPNOCTVCLVASL-UHFFFAOYSA-N 2 1 361.489 3.579 20 30 FHEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000513713345 942442792 /nfs/dbraw/zinc/44/27/92/942442792.db2.gz NSVZELGWDFDNNJ-KJFGXLEFSA-N 2 1 353.510 3.711 20 30 FHEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000513713347 942442982 /nfs/dbraw/zinc/44/29/82/942442982.db2.gz NSVZELGWDFDNNJ-VKNHOLBOSA-N 2 1 353.510 3.711 20 30 FHEDMP C=CCC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423564230 943557725 /nfs/dbraw/zinc/55/77/25/943557725.db2.gz LHBQPBJOLNUVCM-HXUWFJFHSA-N 2 1 353.510 3.870 20 30 FHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000303885311 946723593 /nfs/dbraw/zinc/72/35/93/946723593.db2.gz JRKOOEXSYDBFBL-KRWDZBQOSA-N 2 1 364.921 3.774 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183801395 948470357 /nfs/dbraw/zinc/47/03/57/948470357.db2.gz FSFIWGKHQKKKKC-MJGOQNOKSA-N 2 1 365.562 3.795 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602525127 567987712 /nfs/dbraw/zinc/98/77/12/567987712.db2.gz RJKQJXFBMRLCSC-CTNGQTDRSA-N 2 1 355.526 3.587 20 30 FHEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)o1 ZINC000262027077 934860318 /nfs/dbraw/zinc/86/03/18/934860318.db2.gz ZWQRNSKFXWLOQF-IBGZPJMESA-N 2 1 352.482 3.640 20 30 FHEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1F ZINC000179390955 939139791 /nfs/dbraw/zinc/13/97/91/939139791.db2.gz DZCZLELZISREJF-UHFFFAOYSA-N 2 1 352.457 3.831 20 30 FHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180053059 940329360 /nfs/dbraw/zinc/32/93/60/940329360.db2.gz DERRTPRTMKEBMP-GOSISDBHSA-N 2 1 365.525 3.703 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137835 942167936 /nfs/dbraw/zinc/16/79/36/942167936.db2.gz WHPCVVJHRRHDSD-CVEARBPZSA-N 2 1 373.460 3.730 20 30 FHEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000584811001 943650207 /nfs/dbraw/zinc/65/02/07/943650207.db2.gz XKLBDRSHMOZIMJ-RPWUZVMVSA-N 2 1 374.532 3.514 20 30 FHEDMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000507207861 945031902 /nfs/dbraw/zinc/03/19/02/945031902.db2.gz CYPSBMOEQUIJLL-UHFFFAOYSA-N 2 1 362.521 3.722 20 30 FHEDMP N#Cc1c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036235 945055729 /nfs/dbraw/zinc/05/57/29/945055729.db2.gz PADFIBZFUDLIFB-LEWJYISDSA-N 2 1 370.500 3.765 20 30 FHEDMP N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000066905269 946588396 /nfs/dbraw/zinc/58/83/96/946588396.db2.gz KPCNELHBTFRPEF-LJQANCHMSA-N 2 1 361.489 3.711 20 30 FHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000305180302 946827901 /nfs/dbraw/zinc/82/79/01/946827901.db2.gz BJCIQBVLJWHJSE-OKILXGFUSA-N 2 1 372.435 3.680 20 30 FHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126152 568296197 /nfs/dbraw/zinc/29/61/97/568296197.db2.gz LSFNVKXXQXCIGC-VDZJLULYSA-N 2 1 374.529 3.585 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505466 930694923 /nfs/dbraw/zinc/69/49/23/930694923.db2.gz DUUKSDRDCXQFMI-IEBWSBKVSA-N 2 1 365.562 3.795 20 30 FHEDMP CN(c1ccccc1C[N@H+](CCC#N)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000093101205 931941795 /nfs/dbraw/zinc/94/17/95/931941795.db2.gz CJAFAFTUUKXNFM-UHFFFAOYSA-N 2 1 356.558 3.979 20 30 FHEDMP CN(c1ccccc1C[N@@H+](CCC#N)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000093101205 931941799 /nfs/dbraw/zinc/94/17/99/931941799.db2.gz CJAFAFTUUKXNFM-UHFFFAOYSA-N 2 1 356.558 3.979 20 30 FHEDMP C=CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000237668431 936188953 /nfs/dbraw/zinc/18/89/53/936188953.db2.gz KXKQVMLSGIQOQF-CALCHBBNSA-N 2 1 366.933 3.884 20 30 FHEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383105250 945247147 /nfs/dbraw/zinc/24/71/47/945247147.db2.gz HDGXMULYRACXQK-JOCHJYFZSA-N 2 1 363.505 3.781 20 30 FHEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383105250 945247153 /nfs/dbraw/zinc/24/71/53/945247153.db2.gz HDGXMULYRACXQK-JOCHJYFZSA-N 2 1 363.505 3.781 20 30 FHEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383105250 945247167 /nfs/dbraw/zinc/24/71/67/945247167.db2.gz HDGXMULYRACXQK-JOCHJYFZSA-N 2 1 363.505 3.781 20 30 FHEDMP CCC[N@H+](Cc1ccc(C#N)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126512823 944297455 /nfs/dbraw/zinc/29/74/55/944297455.db2.gz UWTJDALGVZSJAM-UHFFFAOYSA-N 2 1 369.538 3.908 20 30 FHEDMP CCC[N@@H+](Cc1ccc(C#N)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126512823 944297461 /nfs/dbraw/zinc/29/74/61/944297461.db2.gz UWTJDALGVZSJAM-UHFFFAOYSA-N 2 1 369.538 3.908 20 30 FHEDMP N#Cc1c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn2ccccc12 ZINC000519036237 945056177 /nfs/dbraw/zinc/05/61/77/945056177.db2.gz PADFIBZFUDLIFB-RTWAWAEBSA-N 2 1 370.500 3.765 20 30 FHEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303865584 946718439 /nfs/dbraw/zinc/71/84/39/946718439.db2.gz BQMCRVHJGZOYLD-IBGZPJMESA-N 2 1 370.566 3.668 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1F ZINC000602520712 567987210 /nfs/dbraw/zinc/98/72/10/567987210.db2.gz IXEQDSIWCBVQDL-OAHLLOKOSA-N 2 1 356.445 3.508 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602525133 567987731 /nfs/dbraw/zinc/98/77/31/567987731.db2.gz RJKQJXFBMRLCSC-TZIWHRDSSA-N 2 1 355.526 3.587 20 30 FHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H](C)CCC#N)CC2)c1C ZINC000602666526 568013764 /nfs/dbraw/zinc/01/37/64/568013764.db2.gz KKMTWXYTTCTZGY-MRXNPFEDSA-N 2 1 358.530 3.543 20 30 FHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H](C)CCC#N)CC2)c1C ZINC000602666526 568013765 /nfs/dbraw/zinc/01/37/65/568013765.db2.gz KKMTWXYTTCTZGY-MRXNPFEDSA-N 2 1 358.530 3.543 20 30 FHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915172 568233954 /nfs/dbraw/zinc/23/39/54/568233954.db2.gz BFWFXYCPPULZGZ-OXQOHEQNSA-N 2 1 367.468 3.505 20 30 FHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915172 568233955 /nfs/dbraw/zinc/23/39/55/568233955.db2.gz BFWFXYCPPULZGZ-OXQOHEQNSA-N 2 1 367.468 3.505 20 30 FHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)cs3)CC2)cs1 ZINC000177699207 930168075 /nfs/dbraw/zinc/16/80/75/930168075.db2.gz QHXHNFGEFZBJGZ-UHFFFAOYSA-N 2 1 360.552 3.640 20 30 FHEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160764532 931565690 /nfs/dbraw/zinc/56/56/90/931565690.db2.gz DWLQSUSVLQYCDB-AWEZNQCLSA-N 2 1 372.435 3.680 20 30 FHEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)ccc1F ZINC000262298961 938251791 /nfs/dbraw/zinc/25/17/91/938251791.db2.gz PQZVYJAEEUPLMY-CYBMUJFWSA-N 2 1 364.465 3.665 20 30 FHEDMP C=CCc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1O ZINC000245723042 938313752 /nfs/dbraw/zinc/31/37/52/938313752.db2.gz DOFMVVDRSJPHRZ-ICSRJNTNSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1O ZINC000245723042 938313753 /nfs/dbraw/zinc/31/37/53/938313753.db2.gz DOFMVVDRSJPHRZ-ICSRJNTNSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1O ZINC000245723042 938313754 /nfs/dbraw/zinc/31/37/54/938313754.db2.gz DOFMVVDRSJPHRZ-ICSRJNTNSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1O ZINC000245723042 938313755 /nfs/dbraw/zinc/31/37/55/938313755.db2.gz DOFMVVDRSJPHRZ-ICSRJNTNSA-N 2 1 356.510 3.578 20 30 FHEDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000278752833 938799415 /nfs/dbraw/zinc/79/94/15/938799415.db2.gz NXURNTPEPGQXLR-GOTSBHOMSA-N 2 1 363.505 3.756 20 30 FHEDMP C(#CC[N@@H+]1CCC[C@H](c2ccccn2)C1)C[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660625909 945323946 /nfs/dbraw/zinc/32/39/46/945323946.db2.gz LKVJGKXUHGYNCQ-VXKWHMMOSA-N 2 1 374.532 3.539 20 30 FHEDMP C(#CC[N@H+]1CCC[C@H](c2ccccn2)C1)C[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660625909 945323952 /nfs/dbraw/zinc/32/39/52/945323952.db2.gz LKVJGKXUHGYNCQ-VXKWHMMOSA-N 2 1 374.532 3.539 20 30 FHEDMP CC[C@@H](c1ccncc1)[NH+](C)CC#CC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000472565992 940832960 /nfs/dbraw/zinc/83/29/60/940832960.db2.gz CNIOMZXABPAWIM-VXKWHMMOSA-N 2 1 350.510 3.946 20 30 FHEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000180970624 941098320 /nfs/dbraw/zinc/09/83/20/941098320.db2.gz JRDLNDTUSHWUSJ-UHFFFAOYSA-N 2 1 362.315 3.629 20 30 FHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377761743 941973748 /nfs/dbraw/zinc/97/37/48/941973748.db2.gz NGZKPXRJSLGOCA-JTHBVZDNSA-N 2 1 362.521 3.819 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459648 942792202 /nfs/dbraw/zinc/79/22/02/942792202.db2.gz GOOJQYSDCWZLFX-LHSJRXKWSA-N 2 1 364.424 3.576 20 30 FHEDMP C=CCC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423564218 943557841 /nfs/dbraw/zinc/55/78/41/943557841.db2.gz LHBQPBJOLNUVCM-FQEVSTJZSA-N 2 1 353.510 3.870 20 30 FHEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000303773438 945984358 /nfs/dbraw/zinc/98/43/58/945984358.db2.gz RDXLAQCHXQVZLS-DENIHFKCSA-N 2 1 363.505 3.922 20 30 FHEDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000303773438 945984364 /nfs/dbraw/zinc/98/43/64/945984364.db2.gz RDXLAQCHXQVZLS-DENIHFKCSA-N 2 1 363.505 3.922 20 30 FHEDMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000303773438 945984372 /nfs/dbraw/zinc/98/43/72/945984372.db2.gz RDXLAQCHXQVZLS-DENIHFKCSA-N 2 1 363.505 3.922 20 30 FHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000303773438 945984377 /nfs/dbraw/zinc/98/43/77/945984377.db2.gz RDXLAQCHXQVZLS-DENIHFKCSA-N 2 1 363.505 3.922 20 30 FHEDMP C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005429 567835895 /nfs/dbraw/zinc/83/58/95/567835895.db2.gz CVRYBWXJOVDKPY-DOHHPOSVSA-N 2 1 361.917 3.752 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000602549821 567990573 /nfs/dbraw/zinc/99/05/73/567990573.db2.gz FTHPLISAOXZHRN-ZHALLVOQSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000602549821 567990574 /nfs/dbraw/zinc/99/05/74/567990574.db2.gz FTHPLISAOXZHRN-ZHALLVOQSA-N 2 1 361.555 3.820 20 30 FHEDMP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220728 568329789 /nfs/dbraw/zinc/32/97/89/568329789.db2.gz IOAYZNYKGWYRRH-MVWVFHAYSA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220728 568329791 /nfs/dbraw/zinc/32/97/91/568329791.db2.gz IOAYZNYKGWYRRH-MVWVFHAYSA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220728 568329792 /nfs/dbraw/zinc/32/97/92/568329792.db2.gz IOAYZNYKGWYRRH-MVWVFHAYSA-N 2 1 371.525 3.519 20 30 FHEDMP CC(C)CC[N@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093100878 934095335 /nfs/dbraw/zinc/09/53/35/934095335.db2.gz QKKRJVZSPPWJSI-UHFFFAOYSA-N 2 1 356.558 3.979 20 30 FHEDMP CC(C)CC[N@@H+](CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093100878 934095344 /nfs/dbraw/zinc/09/53/44/934095344.db2.gz QKKRJVZSPPWJSI-UHFFFAOYSA-N 2 1 356.558 3.979 20 30 FHEDMP CC[N@@H+](CCC1CC[NH+](CCOc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538950620 934969745 /nfs/dbraw/zinc/96/97/45/934969745.db2.gz QMCGLBJXJCKAOH-UHFFFAOYSA-N 2 1 355.526 3.771 20 30 FHEDMP N#CC1(CCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000377758817 941965363 /nfs/dbraw/zinc/96/53/63/941965363.db2.gz IRYHSBJPSVQZRF-VXKWHMMOSA-N 2 1 367.537 3.541 20 30 FHEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000501793181 942680856 /nfs/dbraw/zinc/68/08/56/942680856.db2.gz LEDFPBSOOQBZOR-UHFFFAOYSA-N 2 1 362.945 3.762 20 30 FHEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000236693403 943463996 /nfs/dbraw/zinc/46/39/96/943463996.db2.gz HNQVXLYESVGNJN-LJQANCHMSA-N 2 1 354.519 3.762 20 30 FHEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000236693403 943464000 /nfs/dbraw/zinc/46/40/00/943464000.db2.gz HNQVXLYESVGNJN-LJQANCHMSA-N 2 1 354.519 3.762 20 30 FHEDMP N#Cc1ccc(N2CCC(N[C@@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423398969 943503036 /nfs/dbraw/zinc/50/30/36/943503036.db2.gz PGZYNELMBXVLKK-DEOSSOPVSA-N 2 1 370.500 3.970 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000602549466 567990467 /nfs/dbraw/zinc/99/04/67/567990467.db2.gz CNTSQBJKOSXOLW-OALUTQOASA-N 2 1 355.526 3.901 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665909 568013604 /nfs/dbraw/zinc/01/36/04/568013604.db2.gz DSMMWMHISFKEEU-UNMCSNQZSA-N 2 1 369.553 3.977 20 30 FHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000262255732 937252671 /nfs/dbraw/zinc/25/26/71/937252671.db2.gz FEBGWYVCPLKETP-SJKOYZFVSA-N 2 1 364.465 3.836 20 30 FHEDMP CCN(CC)c1ccc(/C=[NH+]\C2CC[NH+](Cc3ccncc3)CC2)c(O)c1 ZINC000255390318 933050039 /nfs/dbraw/zinc/05/00/39/933050039.db2.gz GQNGTLHNOXCYFG-JLPGSUDCSA-N 2 1 366.509 3.717 20 30 FHEDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OCCCC#N ZINC000105456801 935087012 /nfs/dbraw/zinc/08/70/12/935087012.db2.gz TULKZHJLZRBZSU-LJQANCHMSA-N 2 1 359.514 3.588 20 30 FHEDMP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411099 938576468 /nfs/dbraw/zinc/57/64/68/938576468.db2.gz YSNUNYGOJDDAIJ-YMPZKCBVSA-N 2 1 353.554 3.527 20 30 FHEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323569 942482054 /nfs/dbraw/zinc/48/20/54/942482054.db2.gz ILIFUWNRHRYNEX-CALCHBBNSA-N 2 1 367.468 3.596 20 30 FHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)c(F)c3)CC2)cs1 ZINC000421363924 942516464 /nfs/dbraw/zinc/51/64/64/942516464.db2.gz NAFIJMJAVFWNQJ-UHFFFAOYSA-N 2 1 372.513 3.718 20 30 FHEDMP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236687102 943194962 /nfs/dbraw/zinc/19/49/62/943194962.db2.gz NBDJCKNMSPQGLJ-NOTZXAQLSA-N 2 1 360.501 3.984 20 30 FHEDMP C#CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236687102 943194968 /nfs/dbraw/zinc/19/49/68/943194968.db2.gz NBDJCKNMSPQGLJ-NOTZXAQLSA-N 2 1 360.501 3.984 20 30 FHEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@@H](c2ccccc2)C1 ZINC000584810999 943650297 /nfs/dbraw/zinc/65/02/97/943650297.db2.gz XKLBDRSHMOZIMJ-DNQXCXABSA-N 2 1 374.532 3.514 20 30 FHEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439422177 944594230 /nfs/dbraw/zinc/59/42/30/944594230.db2.gz MKPZAHZLYJIMSD-IYBDPMFKSA-N 2 1 361.917 3.533 20 30 FHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439422177 944594240 /nfs/dbraw/zinc/59/42/40/944594240.db2.gz MKPZAHZLYJIMSD-IYBDPMFKSA-N 2 1 361.917 3.533 20 30 FHEDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746760 944597554 /nfs/dbraw/zinc/59/75/54/944597554.db2.gz VPPGQCUKWCXXOL-NRFANRHFSA-N 2 1 363.505 3.959 20 30 FHEDMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608731 947358689 /nfs/dbraw/zinc/35/86/89/947358689.db2.gz FNUKLZLOFMNBEQ-NQIIRXRSSA-N 2 1 363.505 3.957 20 30 FHEDMP C=CC[C@@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCC[NH2+]1 ZINC000662685841 947979593 /nfs/dbraw/zinc/97/95/93/947979593.db2.gz YWQQNRDDNJUDBU-NRFANRHFSA-N 2 1 352.482 3.692 20 30 FHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823969 948103111 /nfs/dbraw/zinc/10/31/11/948103111.db2.gz FZZYKVMQKDQYII-PWRODBHTSA-N 2 1 352.563 3.571 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1F ZINC000602520711 567987218 /nfs/dbraw/zinc/98/72/18/567987218.db2.gz IXEQDSIWCBVQDL-HNNXBMFYSA-N 2 1 356.445 3.508 20 30 FHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602549471 567990474 /nfs/dbraw/zinc/99/04/74/567990474.db2.gz CNTSQBJKOSXOLW-RBUKOAKNSA-N 2 1 355.526 3.901 20 30 FHEDMP N#CCC[C@@H](C#N)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602863572 568007693 /nfs/dbraw/zinc/00/76/93/568007693.db2.gz OJAKEABJWHOAMN-NRFANRHFSA-N 2 1 350.510 3.808 20 30 FHEDMP N#CC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000602678015 568009428 /nfs/dbraw/zinc/00/94/28/568009428.db2.gz ZQHURQYKOAESHH-NJEKYYFSSA-N 2 1 367.537 3.587 20 30 FHEDMP CCN(CC)c1ccc(/C=[NH+]\C2CC[NH+](Cc3ccccn3)CC2)c(O)c1 ZINC000255267377 931562583 /nfs/dbraw/zinc/56/25/83/931562583.db2.gz RFIHRJFJDNSVMK-JLPGSUDCSA-N 2 1 366.509 3.717 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000153024812 935934412 /nfs/dbraw/zinc/93/44/12/935934412.db2.gz HYCONEADQCTLNP-GOSISDBHSA-N 2 1 368.525 3.631 20 30 FHEDMP CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915867 938416239 /nfs/dbraw/zinc/41/62/39/938416239.db2.gz SESWOWUOETXXJF-YJBOKZPZSA-N 2 1 354.416 3.599 20 30 FHEDMP CC[C@H](c1ccncc1)[NH+](C)CC#CC[N@H+](C)[C@H](CC)c1ccncc1 ZINC000472565985 940832997 /nfs/dbraw/zinc/83/29/97/940832997.db2.gz CNIOMZXABPAWIM-FGZHOGPDSA-N 2 1 350.510 3.946 20 30 FHEDMP N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728686446 941529900 /nfs/dbraw/zinc/52/99/00/941529900.db2.gz RVWXXAHRBVWJHJ-NRFANRHFSA-N 2 1 355.526 3.915 20 30 FHEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439422175 944594329 /nfs/dbraw/zinc/59/43/29/944594329.db2.gz MKPZAHZLYJIMSD-HOTGVXAUSA-N 2 1 361.917 3.533 20 30 FHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262037678 945830346 /nfs/dbraw/zinc/83/03/46/945830346.db2.gz QZAQBKASMLUPFM-KSSFIOAISA-N 2 1 360.864 3.899 20 30 FHEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164375 929410845 /nfs/dbraw/zinc/41/08/45/929410845.db2.gz PCAHZXMYXJTTMM-ACIOBRDBSA-N 2 1 353.554 3.527 20 30 FHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164375 929410851 /nfs/dbraw/zinc/41/08/51/929410851.db2.gz PCAHZXMYXJTTMM-ACIOBRDBSA-N 2 1 353.554 3.527 20 30 FHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164375 929410857 /nfs/dbraw/zinc/41/08/57/929410857.db2.gz PCAHZXMYXJTTMM-ACIOBRDBSA-N 2 1 353.554 3.527 20 30 FHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646298 930695751 /nfs/dbraw/zinc/69/57/51/930695751.db2.gz QXWNGUXYNPLJGZ-IBGZPJMESA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646298 930695754 /nfs/dbraw/zinc/69/57/54/930695754.db2.gz QXWNGUXYNPLJGZ-IBGZPJMESA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646298 930695761 /nfs/dbraw/zinc/69/57/61/930695761.db2.gz QXWNGUXYNPLJGZ-IBGZPJMESA-N 2 1 369.534 3.761 20 30 FHEDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000582813389 936156461 /nfs/dbraw/zinc/15/64/61/936156461.db2.gz MXESBZRQIVMLEG-UHFFFAOYSA-N 2 1 353.514 3.513 20 30 FHEDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000582813389 936156463 /nfs/dbraw/zinc/15/64/63/936156463.db2.gz MXESBZRQIVMLEG-UHFFFAOYSA-N 2 1 353.514 3.513 20 30 FHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180053075 940329330 /nfs/dbraw/zinc/32/93/30/940329330.db2.gz DERRTPRTMKEBMP-SFHVURJKSA-N 2 1 365.525 3.703 20 30 FHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)c(Cl)c1 ZINC000431837991 941476790 /nfs/dbraw/zinc/47/67/90/941476790.db2.gz OOEYGRRQSQIDJY-UHFFFAOYSA-N 2 1 374.960 3.844 20 30 FHEDMP N#Cc1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728686447 941529709 /nfs/dbraw/zinc/52/97/09/941529709.db2.gz RVWXXAHRBVWJHJ-OAQYLSRUSA-N 2 1 355.526 3.915 20 30 FHEDMP CCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001279870359 941960307 /nfs/dbraw/zinc/96/03/07/941960307.db2.gz CTOYETJQJGWHOF-CTNGQTDRSA-N 2 1 351.579 3.612 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459650 942792625 /nfs/dbraw/zinc/79/26/25/942792625.db2.gz GOOJQYSDCWZLFX-SPLOXXLWSA-N 2 1 364.424 3.576 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505085 930694995 /nfs/dbraw/zinc/69/49/95/930694995.db2.gz DUUKSDRDCXQFMI-HKUYNNGSSA-N 2 1 365.562 3.795 20 30 FHEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000414264595 940855474 /nfs/dbraw/zinc/85/54/74/940855474.db2.gz KSKOJBRFPONFKJ-BJTVZRGDSA-N 2 1 355.526 3.586 20 30 FHEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000414264595 940855481 /nfs/dbraw/zinc/85/54/81/940855481.db2.gz KSKOJBRFPONFKJ-BJTVZRGDSA-N 2 1 355.526 3.586 20 30 FHEDMP C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377689147 941901587 /nfs/dbraw/zinc/90/15/87/941901587.db2.gz CVBZFYCBEKVZSU-UHFFFAOYSA-N 2 1 364.493 3.865 20 30 FHEDMP CCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001279870361 941960729 /nfs/dbraw/zinc/96/07/29/941960729.db2.gz CTOYETJQJGWHOF-PZJWPPBQSA-N 2 1 351.579 3.612 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137872 942167987 /nfs/dbraw/zinc/16/79/87/942167987.db2.gz WHPCVVJHRRHDSD-HZPDHXFCSA-N 2 1 373.460 3.730 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459649 942792581 /nfs/dbraw/zinc/79/25/81/942792581.db2.gz GOOJQYSDCWZLFX-QKKBWIMNSA-N 2 1 364.424 3.576 20 30 FHEDMP N#Cc1cccc(OCCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434681321 942870892 /nfs/dbraw/zinc/87/08/92/942870892.db2.gz NCRSBFBHEJVMCF-UHFFFAOYSA-N 2 1 364.493 3.740 20 30 FHEDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000423481464 943528117 /nfs/dbraw/zinc/52/81/17/943528117.db2.gz WRMQIOHIBQUQKY-CFLQYTFWSA-N 2 1 355.432 3.880 20 30 FHEDMP C=CCOc1c(Br)cc(C[NH2+]CC([NH3+])(CC)CC)cc1OC ZINC000414800743 944003265 /nfs/dbraw/zinc/00/32/65/944003265.db2.gz IMVYPOHQVAPKKM-UHFFFAOYSA-N 2 1 371.319 3.630 20 30 FHEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000439422176 944594477 /nfs/dbraw/zinc/59/44/77/944594477.db2.gz MKPZAHZLYJIMSD-HZPDHXFCSA-N 2 1 361.917 3.533 20 30 FHEDMP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000330241422 945420378 /nfs/dbraw/zinc/42/03/78/945420378.db2.gz FRHQRTBOUDRLSC-LJQANCHMSA-N 2 1 370.497 3.649 20 30 FHEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509845 945659233 /nfs/dbraw/zinc/65/92/33/945659233.db2.gz YRWIWXQOOXLRAU-PZJWPPBQSA-N 2 1 355.526 3.587 20 30 FHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509845 945659237 /nfs/dbraw/zinc/65/92/37/945659237.db2.gz YRWIWXQOOXLRAU-PZJWPPBQSA-N 2 1 355.526 3.587 20 30 FHEDMP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000328646269 946963914 /nfs/dbraw/zinc/96/39/14/946963914.db2.gz GSZZAFJUADECES-GOSISDBHSA-N 2 1 352.482 3.533 20 30 FHEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770635 947212600 /nfs/dbraw/zinc/21/26/00/947212600.db2.gz GMYZNEKBYRPIFV-FQEVSTJZSA-N 2 1 363.505 3.911 20 30 FHEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770635 947212609 /nfs/dbraw/zinc/21/26/09/947212609.db2.gz GMYZNEKBYRPIFV-FQEVSTJZSA-N 2 1 363.505 3.911 20 30 FHEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770635 947212616 /nfs/dbraw/zinc/21/26/16/947212616.db2.gz GMYZNEKBYRPIFV-FQEVSTJZSA-N 2 1 363.505 3.911 20 30 FHEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770635 947212623 /nfs/dbraw/zinc/21/26/23/947212623.db2.gz GMYZNEKBYRPIFV-FQEVSTJZSA-N 2 1 363.505 3.911 20 30 FHEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075642716 936014045 /nfs/dbraw/zinc/01/40/45/936014045.db2.gz UEVCOYOZYRVVGJ-UHFFFAOYSA-N 2 1 367.497 3.552 20 30 FHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075642716 936014048 /nfs/dbraw/zinc/01/40/48/936014048.db2.gz UEVCOYOZYRVVGJ-UHFFFAOYSA-N 2 1 367.497 3.552 20 30 FHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812621 939927786 /nfs/dbraw/zinc/92/77/86/939927786.db2.gz RIUPMCLWNYYDDR-KNBMTAEXSA-N 2 1 355.507 3.994 20 30 FHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812621 939927789 /nfs/dbraw/zinc/92/77/89/939927789.db2.gz RIUPMCLWNYYDDR-KNBMTAEXSA-N 2 1 355.507 3.994 20 30 FHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(Cl)cccc1C#N ZINC000431843450 941775980 /nfs/dbraw/zinc/77/59/80/941775980.db2.gz KFQACISWBVYZOQ-UHFFFAOYSA-N 2 1 374.960 3.844 20 30 FHEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120152 942917274 /nfs/dbraw/zinc/91/72/74/942917274.db2.gz LPHVFRTWIPQHRU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120152 942917278 /nfs/dbraw/zinc/91/72/78/942917278.db2.gz LPHVFRTWIPQHRU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120152 942917284 /nfs/dbraw/zinc/91/72/84/942917284.db2.gz LPHVFRTWIPQHRU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120152 942917291 /nfs/dbraw/zinc/91/72/91/942917291.db2.gz LPHVFRTWIPQHRU-QHCPKHFHSA-N 2 1 361.489 3.665 20 30 FHEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000236685430 942987533 /nfs/dbraw/zinc/98/75/33/942987533.db2.gz BURRHFJNDIHXSH-QHCPKHFHSA-N 2 1 362.517 3.743 20 30 FHEDMP N#Cc1c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036236 945055895 /nfs/dbraw/zinc/05/58/95/945055895.db2.gz PADFIBZFUDLIFB-NHCUHLMSSA-N 2 1 370.500 3.765 20 30 FHEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000281895611 945908231 /nfs/dbraw/zinc/90/82/31/945908231.db2.gz FDXODVUBBIIEKM-NRFANRHFSA-N 2 1 355.526 3.541 20 30 FHEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281895611 945908235 /nfs/dbraw/zinc/90/82/35/945908235.db2.gz FDXODVUBBIIEKM-NRFANRHFSA-N 2 1 355.526 3.541 20 30 FHEDMP C[NH+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281895611 945908239 /nfs/dbraw/zinc/90/82/39/945908239.db2.gz FDXODVUBBIIEKM-NRFANRHFSA-N 2 1 355.526 3.541 20 30 FHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994375 946902257 /nfs/dbraw/zinc/90/22/57/946902257.db2.gz BYQISFXWXRISOF-IUPYZPJSSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994375 946902264 /nfs/dbraw/zinc/90/22/64/946902264.db2.gz BYQISFXWXRISOF-IUPYZPJSSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994375 946902267 /nfs/dbraw/zinc/90/22/67/946902267.db2.gz BYQISFXWXRISOF-IUPYZPJSSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994375 946902282 /nfs/dbraw/zinc/90/22/82/946902282.db2.gz BYQISFXWXRISOF-IUPYZPJSSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994378 946902494 /nfs/dbraw/zinc/90/24/94/946902494.db2.gz BYQISFXWXRISOF-PJEZACDQSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994378 946902506 /nfs/dbraw/zinc/90/25/06/946902506.db2.gz BYQISFXWXRISOF-PJEZACDQSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994378 946902516 /nfs/dbraw/zinc/90/25/16/946902516.db2.gz BYQISFXWXRISOF-PJEZACDQSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccccc1O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994378 946902525 /nfs/dbraw/zinc/90/25/25/946902525.db2.gz BYQISFXWXRISOF-PJEZACDQSA-N 2 1 365.521 3.807 20 30 FHEDMP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000328646270 946963816 /nfs/dbraw/zinc/96/38/16/946963816.db2.gz GSZZAFJUADECES-SFHVURJKSA-N 2 1 352.482 3.533 20 30 FHEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291056 947712170 /nfs/dbraw/zinc/71/21/70/947712170.db2.gz NSUIFDBAYNTEOT-GOSISDBHSA-N 2 1 373.566 3.615 20 30 FHEDMP C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005432 567835869 /nfs/dbraw/zinc/83/58/69/567835869.db2.gz CVRYBWXJOVDKPY-TXDAXLQXSA-N 2 1 361.917 3.752 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000602549822 567990562 /nfs/dbraw/zinc/99/05/62/567990562.db2.gz FTHPLISAOXZHRN-ZIFCJYIRSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000602549822 567990563 /nfs/dbraw/zinc/99/05/63/567990563.db2.gz FTHPLISAOXZHRN-ZIFCJYIRSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665906 568013660 /nfs/dbraw/zinc/01/36/60/568013660.db2.gz DSMMWMHISFKEEU-IFMALSPDSA-N 2 1 369.553 3.977 20 30 FHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000481914452 568182100 /nfs/dbraw/zinc/18/21/00/568182100.db2.gz ALELXHPJYDNPPK-NRFANRHFSA-N 2 1 353.510 3.560 20 30 FHEDMP C=CC[NH+]1CCC(NCc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236663535 934761347 /nfs/dbraw/zinc/76/13/47/934761347.db2.gz AJNUXYUHKIDFTP-UHFFFAOYSA-N 2 1 364.537 3.965 20 30 FHEDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000278752853 938799731 /nfs/dbraw/zinc/79/97/31/938799731.db2.gz NXURNTPEPGQXLR-XZOQPEGZSA-N 2 1 363.505 3.756 20 30 FHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377761741 941973697 /nfs/dbraw/zinc/97/36/97/941973697.db2.gz NGZKPXRJSLGOCA-GGAORHGYSA-N 2 1 362.521 3.819 20 30 FHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712159 941983287 /nfs/dbraw/zinc/98/32/87/941983287.db2.gz WLGMJLZZMPUSPI-UGKGYDQZSA-N 2 1 363.505 3.979 20 30 FHEDMP N#Cc1ccc(C[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C2CC2)cc1 ZINC000420906905 942248057 /nfs/dbraw/zinc/24/80/57/942248057.db2.gz UFJWLFLEVWFJBA-UHFFFAOYSA-N 2 1 361.489 3.555 20 30 FHEDMP N#Cc1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000420906905 942248063 /nfs/dbraw/zinc/24/80/63/942248063.db2.gz UFJWLFLEVWFJBA-UHFFFAOYSA-N 2 1 361.489 3.555 20 30 FHEDMP C[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027259 942269400 /nfs/dbraw/zinc/26/94/00/942269400.db2.gz VNBYAGJDCWMXMH-UHFFFAOYSA-N 2 1 353.897 3.935 20 30 FHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192933686 944422475 /nfs/dbraw/zinc/42/24/75/944422475.db2.gz HEUKIYCZCZKDPT-JOCHJYFZSA-N 2 1 362.521 3.648 20 30 FHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000427012078 944997124 /nfs/dbraw/zinc/99/71/24/944997124.db2.gz MLLQHGVBOOOSLH-HDICACEKSA-N 2 1 360.929 3.513 20 30 FHEDMP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000066904954 946583318 /nfs/dbraw/zinc/58/33/18/946583318.db2.gz PYEOWVZVUUWVSP-UHFFFAOYSA-N 2 1 361.489 3.854 20 30 FHEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305088182 946813812 /nfs/dbraw/zinc/81/38/12/946813812.db2.gz VRAPLEFNUATRCG-UHFFFAOYSA-N 2 1 354.498 3.602 20 30 FHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305088182 946813822 /nfs/dbraw/zinc/81/38/22/946813822.db2.gz VRAPLEFNUATRCG-UHFFFAOYSA-N 2 1 354.498 3.602 20 30 FHEDMP CCCCCCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825271484 947140863 /nfs/dbraw/zinc/14/08/63/947140863.db2.gz KGYAOZKQBBPHMQ-UHFFFAOYSA-N 2 1 370.545 3.781 20 30 FHEDMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000440609239 947362321 /nfs/dbraw/zinc/36/23/21/947362321.db2.gz DDMXQFOBYDXBNJ-CYGODWOOSA-N 2 1 363.505 3.813 20 30 FHEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000164538441 948141870 /nfs/dbraw/zinc/14/18/70/948141870.db2.gz GCRXCZMHDORSFE-DYESRHJHSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000164538441 948141877 /nfs/dbraw/zinc/14/18/77/948141877.db2.gz GCRXCZMHDORSFE-DYESRHJHSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000164538441 948141883 /nfs/dbraw/zinc/14/18/83/948141883.db2.gz GCRXCZMHDORSFE-DYESRHJHSA-N 2 1 356.510 3.578 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000602544702 567990040 /nfs/dbraw/zinc/99/00/40/567990040.db2.gz JNZXKZFOZHOHKX-VEEZFSHISA-N 2 1 367.537 3.871 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602565536 567995551 /nfs/dbraw/zinc/99/55/51/567995551.db2.gz RUSACCIUBMCLOM-SFHLNBCPSA-N 2 1 355.526 3.728 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000602565536 567995552 /nfs/dbraw/zinc/99/55/52/567995552.db2.gz RUSACCIUBMCLOM-SFHLNBCPSA-N 2 1 355.526 3.728 20 30 FHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126151 568296258 /nfs/dbraw/zinc/29/62/58/568296258.db2.gz LSFNVKXXQXCIGC-IEZWGBDMSA-N 2 1 374.529 3.585 20 30 FHEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160663346 931270708 /nfs/dbraw/zinc/27/07/08/931270708.db2.gz SBTDWMMVSSMPMV-CQSZACIVSA-N 2 1 372.435 3.824 20 30 FHEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160663076 931271094 /nfs/dbraw/zinc/27/10/94/931271094.db2.gz GRWMWZMPQLQLIY-AWEZNQCLSA-N 2 1 372.435 3.966 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000236691763 934764442 /nfs/dbraw/zinc/76/44/42/934764442.db2.gz VBRGNSFUHLZXMM-UHFFFAOYSA-N 2 1 351.494 3.791 20 30 FHEDMP CC(C)[NH+](CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000180273406 940909604 /nfs/dbraw/zinc/90/96/04/940909604.db2.gz VHQPCIZQVSVIJU-UHFFFAOYSA-N 2 1 353.514 3.557 20 30 FHEDMP C=CCc1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1O ZINC000377697067 941913611 /nfs/dbraw/zinc/91/36/11/941913611.db2.gz IINJWUNERQWBRZ-UHFFFAOYSA-N 2 1 367.493 3.625 20 30 FHEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000513505906 941968531 /nfs/dbraw/zinc/96/85/31/941968531.db2.gz MYSABWAOBYSMLH-QUCCMNQESA-N 2 1 373.504 3.596 20 30 FHEDMP N#Cc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000514081898 942733155 /nfs/dbraw/zinc/73/31/55/942733155.db2.gz DQQNSGRGGOSWBL-UHFFFAOYSA-N 2 1 374.532 3.565 20 30 FHEDMP N#Cc1ccc(N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000514081898 942733156 /nfs/dbraw/zinc/73/31/56/942733156.db2.gz DQQNSGRGGOSWBL-UHFFFAOYSA-N 2 1 374.532 3.565 20 30 FHEDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000423481466 943528181 /nfs/dbraw/zinc/52/81/81/943528181.db2.gz WRMQIOHIBQUQKY-GZRFBZBPSA-N 2 1 355.432 3.880 20 30 FHEDMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@@H](c2ccccc2)C1 ZINC000584810998 943650142 /nfs/dbraw/zinc/65/01/42/943650142.db2.gz XKLBDRSHMOZIMJ-BJKOFHAPSA-N 2 1 374.532 3.514 20 30 FHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262037684 945830917 /nfs/dbraw/zinc/83/09/17/945830917.db2.gz QZAQBKASMLUPFM-RDTXWAMCSA-N 2 1 360.864 3.899 20 30 FHEDMP CCNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)=[NH+]CC ZINC000304240354 946768172 /nfs/dbraw/zinc/76/81/72/946768172.db2.gz LUFAKEKZCIFADF-DOTOQJQBSA-N 2 1 370.463 3.663 20 30 FHEDMP C[N@H+](CCCC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282014090 946832557 /nfs/dbraw/zinc/83/25/57/946832557.db2.gz OQENGGYIZQGGMI-UHFFFAOYSA-N 2 1 355.526 3.683 20 30 FHEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282014090 946832572 /nfs/dbraw/zinc/83/25/72/946832572.db2.gz OQENGGYIZQGGMI-UHFFFAOYSA-N 2 1 355.526 3.683 20 30 FHEDMP N#Cc1cccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167994496 946902931 /nfs/dbraw/zinc/90/29/31/946902931.db2.gz GPXMCADMEJNGFI-FANLQWHUSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1cccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167994496 946902940 /nfs/dbraw/zinc/90/29/40/946902940.db2.gz GPXMCADMEJNGFI-FANLQWHUSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1cccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167994496 946902951 /nfs/dbraw/zinc/90/29/51/946902951.db2.gz GPXMCADMEJNGFI-FANLQWHUSA-N 2 1 365.521 3.807 20 30 FHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167824236 948105629 /nfs/dbraw/zinc/10/56/29/948105629.db2.gz OABMACSLBJRAJR-QHAWAJNXSA-N 2 1 352.563 3.571 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000106245343 935163187 /nfs/dbraw/zinc/16/31/87/935163187.db2.gz GHZAQAACIKZNMH-UHFFFAOYSA-N 2 1 357.498 3.508 20 30 FHEDMP Cn1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180036630 940299186 /nfs/dbraw/zinc/29/91/86/940299186.db2.gz KVINVQMENHZTOU-UHFFFAOYSA-N 2 1 373.504 3.570 20 30 FHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1C#N ZINC000549164591 941568528 /nfs/dbraw/zinc/56/85/28/941568528.db2.gz IQPVTSZBWVYUSR-QFIPXVFZSA-N 2 1 363.505 3.827 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435790855 943759788 /nfs/dbraw/zinc/75/97/88/943759788.db2.gz OCZQOZSAXBHMTE-UHFFFAOYSA-N 2 1 350.510 3.980 20 30 FHEDMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001167961733 945033509 /nfs/dbraw/zinc/03/35/09/945033509.db2.gz OMGVDTBMFORSCG-ALOPSCKCSA-N 2 1 351.416 3.816 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652150946 946385560 /nfs/dbraw/zinc/38/55/60/946385560.db2.gz DGABYWFQDKVSEO-SFHVURJKSA-N 2 1 362.514 3.794 20 30 FHEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905668 946504567 /nfs/dbraw/zinc/50/45/67/946504567.db2.gz JMVDGQWYOIZRHC-FQEVSTJZSA-N 2 1 363.505 3.959 20 30 FHEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905667 946505267 /nfs/dbraw/zinc/50/52/67/946505267.db2.gz JMVDGQWYOIZRHC-HXUWFJFHSA-N 2 1 363.505 3.959 20 30 FHEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000328699087 946995076 /nfs/dbraw/zinc/99/50/76/946995076.db2.gz VJXQHLGFUMWHPI-SJLPKXTDSA-N 2 1 372.557 3.635 20 30 FHEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315169 947747945 /nfs/dbraw/zinc/74/79/45/947747945.db2.gz RKNFIITYAZMJGV-SJLPKXTDSA-N 2 1 361.555 3.743 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183801423 948470029 /nfs/dbraw/zinc/47/00/29/948470029.db2.gz FSFIWGKHQKKKKC-IEBWSBKVSA-N 2 1 365.562 3.795 20 30 FHEDMP N#Cc1ccc(C[NH+]2CCC(NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000181858314 567966882 /nfs/dbraw/zinc/96/68/82/567966882.db2.gz PSAUYUJNPPEIBF-UHFFFAOYSA-N 2 1 366.553 3.519 20 30 FHEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602515937 567986585 /nfs/dbraw/zinc/98/65/85/567986585.db2.gz FBLRQGDRHCRVMK-IBGZPJMESA-N 2 1 355.526 3.648 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000602524192 567987545 /nfs/dbraw/zinc/98/75/45/567987545.db2.gz KUUHYUDKEPFRBW-QZTJIDSGSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000602524192 567987546 /nfs/dbraw/zinc/98/75/46/567987546.db2.gz KUUHYUDKEPFRBW-QZTJIDSGSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602565537 567995586 /nfs/dbraw/zinc/99/55/86/567995586.db2.gz RUSACCIUBMCLOM-SVFBPWRDSA-N 2 1 355.526 3.728 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000602565537 567995587 /nfs/dbraw/zinc/99/55/87/567995587.db2.gz RUSACCIUBMCLOM-SVFBPWRDSA-N 2 1 355.526 3.728 20 30 FHEDMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000583234469 937264604 /nfs/dbraw/zinc/26/46/04/937264604.db2.gz RJUPPBXTSSSLRU-KOUNCHBCSA-N 2 1 361.489 3.852 20 30 FHEDMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000583234469 937264608 /nfs/dbraw/zinc/26/46/08/937264608.db2.gz RJUPPBXTSSSLRU-KOUNCHBCSA-N 2 1 361.489 3.852 20 30 FHEDMP N#CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278802481 940821386 /nfs/dbraw/zinc/82/13/86/940821386.db2.gz FZTAAGRDDRNCHD-UHFFFAOYSA-N 2 1 350.466 3.501 20 30 FHEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439426710 944597526 /nfs/dbraw/zinc/59/75/26/944597526.db2.gz BTSTWVCKDFUWKT-UHFFFAOYSA-N 2 1 363.933 3.782 20 30 FHEDMP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000330241419 945420609 /nfs/dbraw/zinc/42/06/09/945420609.db2.gz FRHQRTBOUDRLSC-IBGZPJMESA-N 2 1 370.497 3.649 20 30 FHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509849 945658904 /nfs/dbraw/zinc/65/89/04/945658904.db2.gz YRWIWXQOOXLRAU-TZIWHRDSSA-N 2 1 355.526 3.587 20 30 FHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509849 945658909 /nfs/dbraw/zinc/65/89/09/945658909.db2.gz YRWIWXQOOXLRAU-TZIWHRDSSA-N 2 1 355.526 3.587 20 30 FHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262037661 945830295 /nfs/dbraw/zinc/83/02/95/945830295.db2.gz QZAQBKASMLUPFM-KBXCAEBGSA-N 2 1 360.864 3.899 20 30 FHEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167994497 946902572 /nfs/dbraw/zinc/90/25/72/946902572.db2.gz GPXMCADMEJNGFI-MXHMCPQYSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1cccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)c1 ZINC001167994497 946902580 /nfs/dbraw/zinc/90/25/80/946902580.db2.gz GPXMCADMEJNGFI-MXHMCPQYSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1cccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)c1 ZINC001167994497 946902584 /nfs/dbraw/zinc/90/25/84/946902584.db2.gz GPXMCADMEJNGFI-MXHMCPQYSA-N 2 1 365.521 3.807 20 30 FHEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770636 947212354 /nfs/dbraw/zinc/21/23/54/947212354.db2.gz GMYZNEKBYRPIFV-HXUWFJFHSA-N 2 1 363.505 3.911 20 30 FHEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770636 947212367 /nfs/dbraw/zinc/21/23/67/947212367.db2.gz GMYZNEKBYRPIFV-HXUWFJFHSA-N 2 1 363.505 3.911 20 30 FHEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770636 947212374 /nfs/dbraw/zinc/21/23/74/947212374.db2.gz GMYZNEKBYRPIFV-HXUWFJFHSA-N 2 1 363.505 3.911 20 30 FHEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770636 947212379 /nfs/dbraw/zinc/21/23/79/947212379.db2.gz GMYZNEKBYRPIFV-HXUWFJFHSA-N 2 1 363.505 3.911 20 30 FHEDMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000512071139 948357812 /nfs/dbraw/zinc/35/78/12/948357812.db2.gz IFPSFRXGCKNGLK-UHFFFAOYSA-N 2 1 370.522 3.556 20 30 FHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000481914453 568182092 /nfs/dbraw/zinc/18/20/92/568182092.db2.gz ALELXHPJYDNPPK-OAQYLSRUSA-N 2 1 353.510 3.560 20 30 FHEDMP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220732 568329795 /nfs/dbraw/zinc/32/97/95/568329795.db2.gz IOAYZNYKGWYRRH-YCZSINBZSA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220732 568329797 /nfs/dbraw/zinc/32/97/97/568329797.db2.gz IOAYZNYKGWYRRH-YCZSINBZSA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220732 568329798 /nfs/dbraw/zinc/32/97/98/568329798.db2.gz IOAYZNYKGWYRRH-YCZSINBZSA-N 2 1 371.525 3.519 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123225327 929938495 /nfs/dbraw/zinc/93/84/95/929938495.db2.gz FCGNQGOAHLNXTJ-KRWDZBQOSA-N 2 1 353.510 3.664 20 30 FHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000477138230 932349522 /nfs/dbraw/zinc/34/95/22/932349522.db2.gz PERJWDHNTDHCSS-OAQYLSRUSA-N 2 1 355.526 3.771 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1 ZINC000657313150 935116592 /nfs/dbraw/zinc/11/65/92/935116592.db2.gz GJHAHQGAXMMQJE-RTBURBONSA-N 2 1 367.541 3.622 20 30 FHEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000103337907 938266650 /nfs/dbraw/zinc/26/66/50/938266650.db2.gz ZWMBDDKUUQTPSB-QGZVFWFLSA-N 2 1 354.498 3.519 20 30 FHEDMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650723752 938310878 /nfs/dbraw/zinc/31/08/78/938310878.db2.gz SWJFRXYEXASULZ-POAQFYNOSA-N 2 1 364.917 3.766 20 30 FHEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246475556 938366323 /nfs/dbraw/zinc/36/63/23/938366323.db2.gz WNSYONTYJZGCKK-RXVVDRJESA-N 2 1 354.519 3.933 20 30 FHEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246475556 938366325 /nfs/dbraw/zinc/36/63/25/938366325.db2.gz WNSYONTYJZGCKK-RXVVDRJESA-N 2 1 354.519 3.933 20 30 FHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000728712157 941983273 /nfs/dbraw/zinc/98/32/73/941983273.db2.gz WLGMJLZZMPUSPI-KNQAVFIVSA-N 2 1 363.505 3.979 20 30 FHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000514091963 942741636 /nfs/dbraw/zinc/74/16/36/942741636.db2.gz AGJCELVLKLSFCG-BGYRXZFFSA-N 2 1 368.569 3.875 20 30 FHEDMP CC[NH+](CC)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(C)C ZINC000514105596 942748892 /nfs/dbraw/zinc/74/88/92/942748892.db2.gz SJIRAGJJXZSLKP-QFIPXVFZSA-N 2 1 356.558 3.873 20 30 FHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000436295324 944181082 /nfs/dbraw/zinc/18/10/82/944181082.db2.gz GSIPBJVCNOMUOJ-ZQGJOIPISA-N 2 1 354.538 3.858 20 30 FHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000517591514 944422866 /nfs/dbraw/zinc/42/28/66/944422866.db2.gz DYQDIRBGTBVFAY-QFIPXVFZSA-N 2 1 363.505 3.827 20 30 FHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000517591514 944422867 /nfs/dbraw/zinc/42/28/67/944422867.db2.gz DYQDIRBGTBVFAY-QFIPXVFZSA-N 2 1 363.505 3.827 20 30 FHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262037671 945830112 /nfs/dbraw/zinc/83/01/12/945830112.db2.gz QZAQBKASMLUPFM-KDOFPFPSSA-N 2 1 360.864 3.899 20 30 FHEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000303720877 946667468 /nfs/dbraw/zinc/66/74/68/946667468.db2.gz WXVYXNJMWYXJLT-NRFANRHFSA-N 2 1 366.509 3.821 20 30 FHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000303987930 946753394 /nfs/dbraw/zinc/75/33/94/946753394.db2.gz JRMCLWKOYLQMDP-FQEVSTJZSA-N 2 1 350.510 3.704 20 30 FHEDMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608730 947361625 /nfs/dbraw/zinc/36/16/25/947361625.db2.gz FNUKLZLOFMNBEQ-GHTZIAJQSA-N 2 1 363.505 3.957 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183801376 948470421 /nfs/dbraw/zinc/47/04/21/948470421.db2.gz FSFIWGKHQKKKKC-HKUYNNGSSA-N 2 1 365.562 3.795 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000602665907 568013609 /nfs/dbraw/zinc/01/36/09/568013609.db2.gz DSMMWMHISFKEEU-IRLDBZIGSA-N 2 1 369.553 3.977 20 30 FHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126149 568274597 /nfs/dbraw/zinc/27/45/97/568274597.db2.gz LSFNVKXXQXCIGC-AYBZRNKSSA-N 2 1 374.529 3.585 20 30 FHEDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365404003 568622394 /nfs/dbraw/zinc/62/23/94/568622394.db2.gz DMDJKHOJLZYQJT-UHFFFAOYSA-N 2 1 363.465 3.884 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505214 930694837 /nfs/dbraw/zinc/69/48/37/930694837.db2.gz DUUKSDRDCXQFMI-MJGOQNOKSA-N 2 1 365.562 3.795 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000152976284 935889727 /nfs/dbraw/zinc/88/97/27/935889727.db2.gz QOQFAZRKENGHJC-SFHVURJKSA-N 2 1 368.525 3.690 20 30 FHEDMP C[C@@H](c1cccc(O)c1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000472563113 940822653 /nfs/dbraw/zinc/82/26/53/940822653.db2.gz IRGKRYBNIXOLEF-ROUUACIJSA-N 2 1 352.478 3.787 20 30 FHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377264910 941603804 /nfs/dbraw/zinc/60/38/04/941603804.db2.gz BWLAHBQRXBXPCX-IBGZPJMESA-N 2 1 368.569 3.747 20 30 FHEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377264910 941603807 /nfs/dbraw/zinc/60/38/07/941603807.db2.gz BWLAHBQRXBXPCX-IBGZPJMESA-N 3 1 368.569 3.747 20 30 FHEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377264910 941603810 /nfs/dbraw/zinc/60/38/10/941603810.db2.gz BWLAHBQRXBXPCX-IBGZPJMESA-N 3 1 368.569 3.747 20 30 FHEDMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000420898338 942244034 /nfs/dbraw/zinc/24/40/34/942244034.db2.gz COTNJJZUMWUNRF-LJQANCHMSA-N 2 1 363.505 3.974 20 30 FHEDMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000420898338 942244036 /nfs/dbraw/zinc/24/40/36/942244036.db2.gz COTNJJZUMWUNRF-LJQANCHMSA-N 2 1 363.505 3.974 20 30 FHEDMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000420898338 942244041 /nfs/dbraw/zinc/24/40/41/942244041.db2.gz COTNJJZUMWUNRF-LJQANCHMSA-N 2 1 363.505 3.974 20 30 FHEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000236693087 943466844 /nfs/dbraw/zinc/46/68/44/943466844.db2.gz HNQVXLYESVGNJN-IBGZPJMESA-N 2 1 354.519 3.762 20 30 FHEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000236693087 943466845 /nfs/dbraw/zinc/46/68/45/943466845.db2.gz HNQVXLYESVGNJN-IBGZPJMESA-N 2 1 354.519 3.762 20 30 FHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000436295318 944180645 /nfs/dbraw/zinc/18/06/45/944180645.db2.gz GSIPBJVCNOMUOJ-JLMDMGSGSA-N 2 1 354.538 3.858 20 30 FHEDMP C=C(C)C[NH+]1CCC(NCc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000840892939 946619661 /nfs/dbraw/zinc/61/96/61/946619661.db2.gz ALPLGLSDCMUZDQ-UHFFFAOYSA-N 2 1 360.498 3.531 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000840892939 946619666 /nfs/dbraw/zinc/61/96/66/946619666.db2.gz ALPLGLSDCMUZDQ-UHFFFAOYSA-N 2 1 360.498 3.531 20 30 FHEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000305667206 946856496 /nfs/dbraw/zinc/85/64/96/946856496.db2.gz IJXTWCAHRRJHTI-DDUZABMNSA-N 2 1 366.912 3.519 20 30 FHEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291057 947712563 /nfs/dbraw/zinc/71/25/63/947712563.db2.gz NSUIFDBAYNTEOT-SFHVURJKSA-N 2 1 373.566 3.615 20 30 FHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167824224 948104268 /nfs/dbraw/zinc/10/42/68/948104268.db2.gz OABMACSLBJRAJR-PCCBWWKXSA-N 2 1 352.563 3.571 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602525129 567987693 /nfs/dbraw/zinc/98/76/93/567987693.db2.gz RJKQJXFBMRLCSC-FPOVZHCZSA-N 2 1 355.526 3.587 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574559 567996500 /nfs/dbraw/zinc/99/65/00/567996500.db2.gz BKDXJAQSBXTRJS-KCZVDYSFSA-N 2 1 369.553 3.976 20 30 FHEDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508806 934859524 /nfs/dbraw/zinc/85/95/24/934859524.db2.gz FJFIOCQDGBYBHM-HKUYNNGSSA-N 2 1 351.469 3.913 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000657310721 935091975 /nfs/dbraw/zinc/09/19/75/935091975.db2.gz RRWRBEQMKAQFPU-GOSISDBHSA-N 2 1 353.514 3.518 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000657310721 935091980 /nfs/dbraw/zinc/09/19/80/935091980.db2.gz RRWRBEQMKAQFPU-GOSISDBHSA-N 2 1 353.514 3.518 20 30 FHEDMP C=CCCc1ccccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000584420511 938846991 /nfs/dbraw/zinc/84/69/91/938846991.db2.gz LFXBGSOTOIHSER-UHFFFAOYSA-N 2 1 369.553 3.940 20 30 FHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000421334827 942508592 /nfs/dbraw/zinc/50/85/92/942508592.db2.gz QUGYYKBJSGSFPQ-CALCHBBNSA-N 2 1 367.468 3.596 20 30 FHEDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746762 944597283 /nfs/dbraw/zinc/59/72/83/944597283.db2.gz VPPGQCUKWCXXOL-OAQYLSRUSA-N 2 1 363.505 3.959 20 30 FHEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)o1 ZINC000262027079 945618086 /nfs/dbraw/zinc/61/80/86/945618086.db2.gz ZWQRNSKFXWLOQF-LJQANCHMSA-N 2 1 352.482 3.640 20 30 FHEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000067507164 946496416 /nfs/dbraw/zinc/49/64/16/946496416.db2.gz OPOAOWGQDQZGSN-JOCHJYFZSA-N 2 1 363.505 3.957 20 30 FHEDMP N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000066905268 946588724 /nfs/dbraw/zinc/58/87/24/946588724.db2.gz KPCNELHBTFRPEF-IBGZPJMESA-N 2 1 361.489 3.711 20 30 FHEDMP N#Cc1ccc(O[C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002100 948210968 /nfs/dbraw/zinc/21/09/68/948210968.db2.gz LTEDDHDTJKZSHC-FANLQWHUSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002100 948210978 /nfs/dbraw/zinc/21/09/78/948210978.db2.gz LTEDDHDTJKZSHC-FANLQWHUSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccc(O[C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002100 948210987 /nfs/dbraw/zinc/21/09/87/948210987.db2.gz LTEDDHDTJKZSHC-FANLQWHUSA-N 2 1 365.521 3.807 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000602544701 567990105 /nfs/dbraw/zinc/99/01/05/567990105.db2.gz JNZXKZFOZHOHKX-BHGTWAMESA-N 2 1 367.537 3.871 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000602549475 567990496 /nfs/dbraw/zinc/99/04/96/567990496.db2.gz CNTSQBJKOSXOLW-RTBURBONSA-N 2 1 355.526 3.901 20 30 FHEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905647 568068447 /nfs/dbraw/zinc/06/84/47/568068447.db2.gz GOKKDAUOLZKQDU-FQEVSTJZSA-N 2 1 363.505 3.957 20 30 FHEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1F ZINC000178795513 937180008 /nfs/dbraw/zinc/18/00/08/937180008.db2.gz AFNBSLWTDKQMMD-IRXDYDNUSA-N 2 1 351.469 3.944 20 30 FHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261938304 932493993 /nfs/dbraw/zinc/49/39/93/932493993.db2.gz FZJGUZPFKWJBCT-KBXCAEBGSA-N 2 1 366.912 3.709 20 30 FHEDMP C[N@@H+](CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000582411699 935672154 /nfs/dbraw/zinc/67/21/54/935672154.db2.gz QCCQJWGTZYEYHZ-UHFFFAOYSA-N 2 1 354.542 3.771 20 30 FHEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000583937444 938492193 /nfs/dbraw/zinc/49/21/93/938492193.db2.gz NDOYBHNIPVPGMX-UHFFFAOYSA-N 2 1 370.497 3.800 20 30 FHEDMP C(#CC[N@@H+]1CCC[C@@H](c2ccccn2)C1)C[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625905 945323407 /nfs/dbraw/zinc/32/34/07/945323407.db2.gz LKVJGKXUHGYNCQ-FGZHOGPDSA-N 2 1 374.532 3.539 20 30 FHEDMP C(#CC[N@H+]1CCC[C@@H](c2ccccn2)C1)C[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625905 945323416 /nfs/dbraw/zinc/32/34/16/945323416.db2.gz LKVJGKXUHGYNCQ-FGZHOGPDSA-N 2 1 374.532 3.539 20 30 FHEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177499473 941129862 /nfs/dbraw/zinc/12/98/62/941129862.db2.gz XTHIGNWQNDRFPH-OTWHNJEPSA-N 2 1 355.526 3.831 20 30 FHEDMP C[N@H+](Cc1cn2ccccc2c1C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046264 942273626 /nfs/dbraw/zinc/27/36/26/942273626.db2.gz MCPLXKSEYFDBRS-UHFFFAOYSA-N 2 1 359.477 3.554 20 30 FHEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000236685682 942987314 /nfs/dbraw/zinc/98/73/14/942987314.db2.gz BURRHFJNDIHXSH-HSZRJFAPSA-N 2 1 362.517 3.743 20 30 FHEDMP C[N@H+](Cc1ccc(C#N)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000439427966 944622961 /nfs/dbraw/zinc/62/29/61/944622961.db2.gz FGDBEPXYRINMNZ-UHFFFAOYSA-N 2 1 354.885 3.955 20 30 FHEDMP CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4cnc[nH]4)CC3)CC2)CC1 ZINC000328649155 946965158 /nfs/dbraw/zinc/96/51/58/946965158.db2.gz INTNATCOMWSXES-UHFFFAOYSA-N 2 1 373.545 3.546 20 30 FHEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002101 948210593 /nfs/dbraw/zinc/21/05/93/948210593.db2.gz LTEDDHDTJKZSHC-MXHMCPQYSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)cc1 ZINC001168002101 948210598 /nfs/dbraw/zinc/21/05/98/948210598.db2.gz LTEDDHDTJKZSHC-MXHMCPQYSA-N 2 1 365.521 3.807 20 30 FHEDMP N#Cc1ccc(O[C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)cc1 ZINC001168002101 948210603 /nfs/dbraw/zinc/21/06/03/948210603.db2.gz LTEDDHDTJKZSHC-MXHMCPQYSA-N 2 1 365.521 3.807 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000602524194 567987581 /nfs/dbraw/zinc/98/75/81/567987581.db2.gz KUUHYUDKEPFRBW-ZWKOTPCHSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000602524194 567987582 /nfs/dbraw/zinc/98/75/82/567987582.db2.gz KUUHYUDKEPFRBW-ZWKOTPCHSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602525131 567987723 /nfs/dbraw/zinc/98/77/23/567987723.db2.gz RJKQJXFBMRLCSC-PZJWPPBQSA-N 2 1 355.526 3.587 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000602549820 567990526 /nfs/dbraw/zinc/99/05/26/567990526.db2.gz FTHPLISAOXZHRN-LMMKCTJWSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000602549820 567990527 /nfs/dbraw/zinc/99/05/27/567990527.db2.gz FTHPLISAOXZHRN-LMMKCTJWSA-N 2 1 361.555 3.820 20 30 FHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000541915170 568230261 /nfs/dbraw/zinc/23/02/61/568230261.db2.gz BFWFXYCPPULZGZ-JXFKEZNVSA-N 2 1 367.468 3.505 20 30 FHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000541915170 568230262 /nfs/dbraw/zinc/23/02/62/568230262.db2.gz BFWFXYCPPULZGZ-JXFKEZNVSA-N 2 1 367.468 3.505 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505332 930694817 /nfs/dbraw/zinc/69/48/17/930694817.db2.gz DUUKSDRDCXQFMI-PKOBYXMFSA-N 2 1 365.562 3.795 20 30 FHEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160764416 931565734 /nfs/dbraw/zinc/56/57/34/931565734.db2.gz DWLQSUSVLQYCDB-CQSZACIVSA-N 2 1 372.435 3.680 20 30 FHEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000477269840 932429450 /nfs/dbraw/zinc/42/94/50/932429450.db2.gz BSLVEGMMPUSAQE-PZJWPPBQSA-N 2 1 355.526 3.914 20 30 FHEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000477269840 932429453 /nfs/dbraw/zinc/42/94/53/932429453.db2.gz BSLVEGMMPUSAQE-PZJWPPBQSA-N 2 1 355.526 3.914 20 30 FHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477269840 932429457 /nfs/dbraw/zinc/42/94/57/932429457.db2.gz BSLVEGMMPUSAQE-PZJWPPBQSA-N 2 1 355.526 3.914 20 30 FHEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477269840 932429460 /nfs/dbraw/zinc/42/94/60/932429460.db2.gz BSLVEGMMPUSAQE-PZJWPPBQSA-N 2 1 355.526 3.914 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000657337565 935270831 /nfs/dbraw/zinc/27/08/31/935270831.db2.gz ZMFHOTPDUQQUQA-UHFFFAOYSA-N 2 1 353.514 3.520 20 30 FHEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)ccc1F ZINC000262298964 938251925 /nfs/dbraw/zinc/25/19/25/938251925.db2.gz PQZVYJAEEUPLMY-ZDUSSCGKSA-N 2 1 364.465 3.665 20 30 FHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1C#N ZINC000549164590 941568457 /nfs/dbraw/zinc/56/84/57/941568457.db2.gz IQPVTSZBWVYUSR-JOCHJYFZSA-N 2 1 363.505 3.827 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137852 942167819 /nfs/dbraw/zinc/16/78/19/942167819.db2.gz WHPCVVJHRRHDSD-HOTGVXAUSA-N 2 1 373.460 3.730 20 30 FHEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901691 942245657 /nfs/dbraw/zinc/24/56/57/942245657.db2.gz KRNZWOBFJFMRIU-UHFFFAOYSA-N 2 1 363.505 3.803 20 30 FHEDMP CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901691 942245660 /nfs/dbraw/zinc/24/56/60/942245660.db2.gz KRNZWOBFJFMRIU-UHFFFAOYSA-N 2 1 363.505 3.803 20 30 FHEDMP C[N@@H+](CCCOc1cccc(C#N)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045804 942273017 /nfs/dbraw/zinc/27/30/17/942273017.db2.gz KTYJAQCYPFMTCD-UHFFFAOYSA-N 2 1 364.493 3.571 20 30 FHEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303902010 946732776 /nfs/dbraw/zinc/73/27/76/946732776.db2.gz SWDCCTCGYXDZFH-CQSZACIVSA-N 2 1 372.435 3.824 20 30 FHEDMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872160 947431265 /nfs/dbraw/zinc/43/12/65/947431265.db2.gz SHJJCBPLUULMAO-GOTSBHOMSA-N 2 1 363.505 3.899 20 30 FHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872160 947431274 /nfs/dbraw/zinc/43/12/74/947431274.db2.gz SHJJCBPLUULMAO-GOTSBHOMSA-N 2 1 363.505 3.899 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602574562 567996454 /nfs/dbraw/zinc/99/64/54/567996454.db2.gz BKDXJAQSBXTRJS-URVUXULASA-N 2 1 369.553 3.976 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000152954535 935885673 /nfs/dbraw/zinc/88/56/73/935885673.db2.gz CLTOXWXWTKCGHJ-MRXNPFEDSA-N 2 1 356.514 3.662 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000152954433 935891330 /nfs/dbraw/zinc/89/13/30/935891330.db2.gz CLTOXWXWTKCGHJ-INIZCTEOSA-N 2 1 356.514 3.662 20 30 FHEDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1)CC1CC1 ZINC000536140929 938438992 /nfs/dbraw/zinc/43/89/92/938438992.db2.gz MEWIAUVODVXVJH-UHFFFAOYSA-N 2 1 355.526 3.901 20 30 FHEDMP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416260 938576513 /nfs/dbraw/zinc/57/65/13/938576513.db2.gz PCAHZXMYXJTTMM-MDNUFGMLSA-N 3 1 353.554 3.527 20 30 FHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416260 938576517 /nfs/dbraw/zinc/57/65/17/938576517.db2.gz PCAHZXMYXJTTMM-MDNUFGMLSA-N 2 1 353.554 3.527 20 30 FHEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416260 938576521 /nfs/dbraw/zinc/57/65/21/938576521.db2.gz PCAHZXMYXJTTMM-MDNUFGMLSA-N 2 1 353.554 3.527 20 30 FHEDMP N#CC1(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCOCC1 ZINC000377758815 941965159 /nfs/dbraw/zinc/96/51/59/941965159.db2.gz IRYHSBJPSVQZRF-FGZHOGPDSA-N 2 1 367.537 3.541 20 30 FHEDMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566529567 943965328 /nfs/dbraw/zinc/96/53/28/943965328.db2.gz MTRZJEGCUJRHEK-UHFFFAOYSA-N 2 1 351.494 3.911 20 30 FHEDMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566529567 943965335 /nfs/dbraw/zinc/96/53/35/943965335.db2.gz MTRZJEGCUJRHEK-UHFFFAOYSA-N 2 1 351.494 3.911 20 30 FHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347355 945636789 /nfs/dbraw/zinc/63/67/89/945636789.db2.gz HMXUCZXMFKXPLC-MAUKXSAKSA-N 2 1 358.530 3.995 20 30 FHEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347355 945636796 /nfs/dbraw/zinc/63/67/96/945636796.db2.gz HMXUCZXMFKXPLC-MAUKXSAKSA-N 2 1 358.530 3.995 20 30 FHEDMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083373 /nfs/dbraw/zinc/08/33/73/937083373.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 2 1 363.505 3.909 20 30 FHEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083377 /nfs/dbraw/zinc/08/33/77/937083377.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 2 1 363.505 3.909 20 30 FHEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083386 /nfs/dbraw/zinc/08/33/86/937083386.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 2 1 363.505 3.909 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123225131 929938676 /nfs/dbraw/zinc/93/86/76/929938676.db2.gz FCGNQGOAHLNXTJ-QGZVFWFLSA-N 2 1 353.510 3.664 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000657310722 935092146 /nfs/dbraw/zinc/09/21/46/935092146.db2.gz RRWRBEQMKAQFPU-SFHVURJKSA-N 2 1 353.514 3.518 20 30 FHEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000657310722 935092150 /nfs/dbraw/zinc/09/21/50/935092150.db2.gz RRWRBEQMKAQFPU-SFHVURJKSA-N 2 1 353.514 3.518 20 30 FHEDMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551601683 935319562 /nfs/dbraw/zinc/31/95/62/935319562.db2.gz BRKQZHSSZZYDCK-NRFANRHFSA-N 2 1 373.504 3.596 20 30 FHEDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000278752825 938799429 /nfs/dbraw/zinc/79/94/29/938799429.db2.gz NXURNTPEPGQXLR-DHIUTWEWSA-N 2 1 363.505 3.756 20 30 FHEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053152 940329463 /nfs/dbraw/zinc/32/94/63/940329463.db2.gz RYDYEHYBSRQMOA-SFHVURJKSA-N 2 1 365.525 3.560 20 30 FHEDMP CC[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376470423 941062864 /nfs/dbraw/zinc/06/28/64/941062864.db2.gz CMZBQVJCYJKBHH-QHCPKHFHSA-N 3 1 368.569 3.795 20 30 FHEDMP Cn1cc[nH+]c1CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177137629 941103358 /nfs/dbraw/zinc/10/33/58/941103358.db2.gz BIIDXWKMBYRQTD-UHFFFAOYSA-N 2 1 361.411 3.745 20 30 FHEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377692375 941905502 /nfs/dbraw/zinc/90/55/02/941905502.db2.gz FDDAMWAHNYDRPW-UHFFFAOYSA-N 2 1 363.509 3.532 20 30 FHEDMP N#CC1(CCC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000377758819 941965336 /nfs/dbraw/zinc/96/53/36/941965336.db2.gz IRYHSBJPSVQZRF-YADHBBJMSA-N 2 1 367.537 3.541 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652150945 946385283 /nfs/dbraw/zinc/38/52/83/946385283.db2.gz DGABYWFQDKVSEO-GOSISDBHSA-N 2 1 362.514 3.794 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000278847084 946423234 /nfs/dbraw/zinc/42/32/34/946423234.db2.gz DRWRQKKBWSRVMT-IBGZPJMESA-N 2 1 371.525 3.670 20 30 FHEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298387 947721325 /nfs/dbraw/zinc/72/13/25/947721325.db2.gz VXKJGKOJAVARSF-GOSISDBHSA-N 2 1 373.566 3.615 20 30 FHEDMP N#CCCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601966664 567889213 /nfs/dbraw/zinc/88/92/13/567889213.db2.gz SRUMUEASYKBKOI-XZOQPEGZSA-N 2 1 363.505 3.648 20 30 FHEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000062426879 567952177 /nfs/dbraw/zinc/95/21/77/567952177.db2.gz OPOAOWGQDQZGSN-QFIPXVFZSA-N 2 1 363.505 3.957 20 30 FHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000105449786 935086997 /nfs/dbraw/zinc/08/69/97/935086997.db2.gz SCRLINLTEYPBBI-UHFFFAOYSA-N 2 1 350.510 3.778 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000628140404 936033163 /nfs/dbraw/zinc/03/31/63/936033163.db2.gz JOXJLUZSPTYWDK-HNNXBMFYSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000628140404 936033166 /nfs/dbraw/zinc/03/31/66/936033166.db2.gz JOXJLUZSPTYWDK-HNNXBMFYSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000628140404 936033168 /nfs/dbraw/zinc/03/31/68/936033168.db2.gz JOXJLUZSPTYWDK-HNNXBMFYSA-N 2 1 352.906 3.687 20 30 FHEDMP C=CCOc1c(Cl)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000628140404 936033171 /nfs/dbraw/zinc/03/31/71/936033171.db2.gz JOXJLUZSPTYWDK-HNNXBMFYSA-N 2 1 352.906 3.687 20 30 FHEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000157392634 938364680 /nfs/dbraw/zinc/36/46/80/938364680.db2.gz QIJVSOYJHZZAAX-AWEZNQCLSA-N 2 1 372.435 3.680 20 30 FHEDMP C[NH+]=C(NC[C@@H]1CC=CCC1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262415135 938969359 /nfs/dbraw/zinc/96/93/59/938969359.db2.gz PUTOUVWUZHQLAZ-ZIFCJYIRSA-N 2 1 360.571 3.652 20 30 FHEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383105253 945247441 /nfs/dbraw/zinc/24/74/41/945247441.db2.gz HDGXMULYRACXQK-QFIPXVFZSA-N 2 1 363.505 3.781 20 30 FHEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383105253 945247452 /nfs/dbraw/zinc/24/74/52/945247452.db2.gz HDGXMULYRACXQK-QFIPXVFZSA-N 2 1 363.505 3.781 20 30 FHEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383105253 945247457 /nfs/dbraw/zinc/24/74/57/945247457.db2.gz HDGXMULYRACXQK-QFIPXVFZSA-N 2 1 363.505 3.781 20 30 FHEDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812629 939928298 /nfs/dbraw/zinc/92/82/98/939928298.db2.gz RIUPMCLWNYYDDR-XAUMDUMWSA-N 2 1 355.507 3.994 20 30 FHEDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812629 939928300 /nfs/dbraw/zinc/92/83/00/939928300.db2.gz RIUPMCLWNYYDDR-XAUMDUMWSA-N 2 1 355.507 3.994 20 30 FHEDMP Cn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180042146 940302593 /nfs/dbraw/zinc/30/25/93/940302593.db2.gz BZCIXBWBCYXHCP-UHFFFAOYSA-N 2 1 365.525 3.703 20 30 FHEDMP Cn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180042146 940302595 /nfs/dbraw/zinc/30/25/95/940302595.db2.gz BZCIXBWBCYXHCP-UHFFFAOYSA-N 2 1 365.525 3.703 20 30 FHEDMP C[C@H](c1cccc(O)c1)[NH+](C)CC#CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000472563112 940822576 /nfs/dbraw/zinc/82/25/76/940822576.db2.gz IRGKRYBNIXOLEF-QZTJIDSGSA-N 2 1 352.478 3.787 20 30 FHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137890 942167641 /nfs/dbraw/zinc/16/76/41/942167641.db2.gz WHPCVVJHRRHDSD-JKSUJKDBSA-N 2 1 373.460 3.730 20 30 FHEDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237093884 942662780 /nfs/dbraw/zinc/66/27/80/942662780.db2.gz KWUDTHVLSVJNHI-UHFFFAOYSA-N 2 1 351.494 3.815 20 30 FHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000436295320 944180629 /nfs/dbraw/zinc/18/06/29/944180629.db2.gz GSIPBJVCNOMUOJ-KCSJKLDESA-N 2 1 354.538 3.858 20 30 FHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823965 948102931 /nfs/dbraw/zinc/10/29/31/948102931.db2.gz FZZYKVMQKDQYII-PCCBWWKXSA-N 2 1 352.563 3.571 20 30 FHEDMP N#CCCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000601966662 567889143 /nfs/dbraw/zinc/88/91/43/567889143.db2.gz SRUMUEASYKBKOI-GOTSBHOMSA-N 2 1 363.505 3.648 20 30 FHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000177683549 930110154 /nfs/dbraw/zinc/11/01/54/930110154.db2.gz WIDKZKGMYVQMIC-IYBDPMFKSA-N 2 1 355.507 3.519 20 30 FHEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160614723 931069516 /nfs/dbraw/zinc/06/95/16/931069516.db2.gz DTSDTQNPMJNDHE-ZDUSSCGKSA-N 2 1 358.408 3.576 20 30 FHEDMP CC(C)N(CC#CC[N@@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000580967115 931423346 /nfs/dbraw/zinc/42/33/46/931423346.db2.gz BDQNEYADKUTRJE-UHFFFAOYSA-N 2 1 350.510 3.601 20 30 FHEDMP CC(C)[NH+](CC#CC[N@@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000580967115 931423354 /nfs/dbraw/zinc/42/33/54/931423354.db2.gz BDQNEYADKUTRJE-UHFFFAOYSA-N 2 1 350.510 3.601 20 30 FHEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187711082 934856991 /nfs/dbraw/zinc/85/69/91/934856991.db2.gz XEGPDXULHQYSJP-OTWHNJEPSA-N 2 1 355.526 3.831 20 30 FHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000152976394 935889275 /nfs/dbraw/zinc/88/92/75/935889275.db2.gz QOQFAZRKENGHJC-GOSISDBHSA-N 2 1 368.525 3.690 20 30 FHEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1O ZINC000245723036 938313781 /nfs/dbraw/zinc/31/37/81/938313781.db2.gz DOFMVVDRSJPHRZ-AZUAARDMSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1O ZINC000245723036 938313782 /nfs/dbraw/zinc/31/37/82/938313782.db2.gz DOFMVVDRSJPHRZ-AZUAARDMSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1O ZINC000245723036 938313784 /nfs/dbraw/zinc/31/37/84/938313784.db2.gz DOFMVVDRSJPHRZ-AZUAARDMSA-N 2 1 356.510 3.578 20 30 FHEDMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1O ZINC000245723036 938313785 /nfs/dbraw/zinc/31/37/85/938313785.db2.gz DOFMVVDRSJPHRZ-AZUAARDMSA-N 2 1 356.510 3.578 20 30 FHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482143 /nfs/dbraw/zinc/48/21/43/940482143.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482144 /nfs/dbraw/zinc/48/21/44/940482144.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 2 1 369.534 3.761 20 30 FHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482147 /nfs/dbraw/zinc/48/21/47/940482147.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 2 1 369.534 3.761 20 30 FHEDMP C[C@H](c1cccc(O)c1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)c1cccc(O)c1 ZINC000472562796 940813383 /nfs/dbraw/zinc/81/33/83/940813383.db2.gz IRGKRYBNIXOLEF-HDICACEKSA-N 2 1 352.478 3.787 20 30 FHEDMP C[C@H](c1cccc(O)c1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000472562796 940813384 /nfs/dbraw/zinc/81/33/84/940813384.db2.gz IRGKRYBNIXOLEF-HDICACEKSA-N 2 1 352.478 3.787 20 30 FHEDMP C[C@H](c1cccc(O)c1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000472562796 940813386 /nfs/dbraw/zinc/81/33/86/940813386.db2.gz IRGKRYBNIXOLEF-HDICACEKSA-N 2 1 352.478 3.787 20 30 FHEDMP N#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180138046 941353065 /nfs/dbraw/zinc/35/30/65/941353065.db2.gz BGMWCMSWNWIOQD-FRIKZZABSA-N 2 1 361.489 3.874 20 30 FHEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000501769805 942659048 /nfs/dbraw/zinc/65/90/48/942659048.db2.gz JPLHRXADEHCLIP-UHFFFAOYSA-N 2 1 362.945 3.762 20 30 FHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281420203 942918006 /nfs/dbraw/zinc/91/80/06/942918006.db2.gz BOSCMTGDIZMESJ-UHFFFAOYSA-N 2 1 369.553 3.931 20 30 FHEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000436295322 944181213 /nfs/dbraw/zinc/18/12/13/944181213.db2.gz GSIPBJVCNOMUOJ-YSFPZDHXSA-N 2 1 354.538 3.858 20 30 FHEDMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000507213822 945045519 /nfs/dbraw/zinc/04/55/19/945045519.db2.gz PNBCSMKUDRRVAG-UHFFFAOYSA-N 2 1 362.521 3.722 20 30 FHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711928 946862324 /nfs/dbraw/zinc/86/23/24/946862324.db2.gz YBVGLCZRDWKQGK-CRAIPNDOSA-N 2 1 366.912 3.663 20 30 FHEDMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608733 947362525 /nfs/dbraw/zinc/36/25/25/947362525.db2.gz FNUKLZLOFMNBEQ-WIYYLYMNSA-N 2 1 363.505 3.957 20 30 FHEDMP C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000512069348 948353315 /nfs/dbraw/zinc/35/33/15/948353315.db2.gz WXNMDFLYVQSEAQ-UHFFFAOYSA-N 2 1 374.532 3.888 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000602524190 567987554 /nfs/dbraw/zinc/98/75/54/567987554.db2.gz KUUHYUDKEPFRBW-MSOLQXFVSA-N 2 1 361.555 3.649 20 30 FHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000602524190 567987555 /nfs/dbraw/zinc/98/75/55/567987555.db2.gz KUUHYUDKEPFRBW-MSOLQXFVSA-N 2 1 361.555 3.649 20 30 FHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H](C)CCC#N)CC2)c1C ZINC000602666524 568013786 /nfs/dbraw/zinc/01/37/86/568013786.db2.gz KKMTWXYTTCTZGY-INIZCTEOSA-N 2 1 358.530 3.543 20 30 FHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H](C)CCC#N)CC2)c1C ZINC000602666524 568013787 /nfs/dbraw/zinc/01/37/87/568013787.db2.gz KKMTWXYTTCTZGY-INIZCTEOSA-N 2 1 358.530 3.543 20 30 FHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126150 568296194 /nfs/dbraw/zinc/29/61/94/568296194.db2.gz LSFNVKXXQXCIGC-HHXXYDBFSA-N 2 1 374.529 3.585 20 30 FHEDMP N#Cc1ccc2ncc(CNC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000569175675 568304661 /nfs/dbraw/zinc/30/46/61/568304661.db2.gz RDVDLNNIXKEQFN-NRFANRHFSA-N 2 1 373.504 3.598 20 30 FHEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000569175675 568304662 /nfs/dbraw/zinc/30/46/62/568304662.db2.gz RDVDLNNIXKEQFN-NRFANRHFSA-N 2 1 373.504 3.598 20 30 FHEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000569175675 568304663 /nfs/dbraw/zinc/30/46/63/568304663.db2.gz RDVDLNNIXKEQFN-NRFANRHFSA-N 2 1 373.504 3.598 20 30 FHEDMP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220727 568329764 /nfs/dbraw/zinc/32/97/64/568329764.db2.gz IOAYZNYKGWYRRH-CIQXWFTPSA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220727 568329766 /nfs/dbraw/zinc/32/97/66/568329766.db2.gz IOAYZNYKGWYRRH-CIQXWFTPSA-N 2 1 371.525 3.519 20 30 FHEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220727 568329767 /nfs/dbraw/zinc/32/97/67/568329767.db2.gz IOAYZNYKGWYRRH-CIQXWFTPSA-N 2 1 371.525 3.519 20 30 FHEDMP