smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccs2)ccc1OC ZINC000060926930 335005236 /nfs/dbraw/zinc/00/52/36/335005236.db2.gz BCPHWZGHKYRLGA-AWEZNQCLSA-N 1 0 317.454 4.562 20 30 DJEDRO CCC(CC)[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000014729002 181967688 /nfs/dbraw/zinc/96/76/88/181967688.db2.gz YJXMHSRJOHCSBH-UHFFFAOYSA-N 1 0 317.436 4.621 20 30 DJEDRO N#CC1(c2ccccc2)CC[NH+](CCCCc2ccccc2)CC1 ZINC000040952771 183150915 /nfs/dbraw/zinc/15/09/15/183150915.db2.gz IJFBHUIFPTXRGV-UHFFFAOYSA-N 1 0 318.464 4.567 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1[O-] ZINC000287863311 131303408 /nfs/dbraw/zinc/30/34/08/131303408.db2.gz XMZZPNAUVOYACU-SJKOYZFVSA-N 1 0 314.816 4.719 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000121444287 132155985 /nfs/dbraw/zinc/15/59/85/132155985.db2.gz UOCZJQZYHIEOJL-CHWSQXEVSA-N 1 0 316.351 4.571 20 30 DJEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000570553380 332772290 /nfs/dbraw/zinc/77/22/90/332772290.db2.gz LJMDYPMHMQESEF-WFASDCNBSA-N 1 0 319.836 4.785 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000580049536 332915726 /nfs/dbraw/zinc/91/57/26/332915726.db2.gz GJBCTSNYDVQOHF-MBPVOVBZSA-N 1 0 304.437 4.813 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000035252942 331490828 /nfs/dbraw/zinc/49/08/28/331490828.db2.gz APDLZVJZNWVQDD-AWEZNQCLSA-N 1 0 301.455 4.781 20 30 DJEDRO CC[C@H]([NH2+]Cc1nc(C(C)C)c(C)s1)c1ccc(C#N)cc1 ZINC000447529542 331513815 /nfs/dbraw/zinc/51/38/15/331513815.db2.gz LSRJMDUHOXGSSB-INIZCTEOSA-N 1 0 313.470 4.688 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950191 331564940 /nfs/dbraw/zinc/56/49/40/331564940.db2.gz MAQMSDFKNSDCKL-WOJBJXKFSA-N 1 0 307.437 4.980 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000537950248 331565627 /nfs/dbraw/zinc/56/56/27/331565627.db2.gz NYWZHQKGXXJJAA-DNVCBOLYSA-N 1 0 310.397 4.953 20 30 DJEDRO Cc1cc2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3Cl)ccc2[nH]1 ZINC000556897167 331751064 /nfs/dbraw/zinc/75/10/64/331751064.db2.gz JUTJYJZOIJDFNJ-ZDUSSCGKSA-N 1 0 323.827 4.852 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000557539793 331798757 /nfs/dbraw/zinc/79/87/57/331798757.db2.gz RXXNDGXCNMQMMK-UHFFFAOYSA-N 1 0 324.855 4.920 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000558238299 331886155 /nfs/dbraw/zinc/88/61/55/331886155.db2.gz FOJCEFXQGZRVQK-GOSISDBHSA-N 1 0 302.437 4.977 20 30 DJEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000569352497 332023133 /nfs/dbraw/zinc/02/31/33/332023133.db2.gz QTRHNNHAFRIGJQ-KSSFIOAISA-N 1 0 315.848 4.604 20 30 DJEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)cc1 ZINC000409447323 332031793 /nfs/dbraw/zinc/03/17/93/332031793.db2.gz DKDORQBCDBRVNY-SFHVURJKSA-N 1 0 300.446 4.552 20 30 DJEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000409447359 332031994 /nfs/dbraw/zinc/03/19/94/332031994.db2.gz VAQXJBBTPJJYTD-OAHLLOKOSA-N 1 0 319.518 4.735 20 30 DJEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665207 332092116 /nfs/dbraw/zinc/09/21/16/332092116.db2.gz TXUVHGSUKQTJFB-OXQOHEQNSA-N 1 0 308.425 4.781 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000410321203 332111923 /nfs/dbraw/zinc/11/19/23/332111923.db2.gz YZPMYMNIRRCEGL-UHFFFAOYSA-N 1 0 315.420 4.519 20 30 DJEDRO CCOc1ccc(C2=CC[N@H+](CCCC(C)(C)C#N)CC2)cc1 ZINC000091813572 332112617 /nfs/dbraw/zinc/11/26/17/332112617.db2.gz KLGGTQNMLGYZSQ-UHFFFAOYSA-N 1 0 312.457 4.504 20 30 DJEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2CC2CCCCC2)CCOCC1 ZINC000410342112 332113173 /nfs/dbraw/zinc/11/31/73/332113173.db2.gz ZVLCQQJGDUVAQF-LJQANCHMSA-N 1 0 318.505 4.522 20 30 DJEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2CCC2CCCC2)CCOCC1 ZINC000410412466 332124764 /nfs/dbraw/zinc/12/47/64/332124764.db2.gz BVCMQTRSRWNXHL-IBGZPJMESA-N 1 0 318.505 4.522 20 30 DJEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000569558604 332138509 /nfs/dbraw/zinc/13/85/09/332138509.db2.gz ZMKYNNXDJUPVBF-YWZLYKJASA-N 1 0 320.436 4.604 20 30 DJEDRO C=C(C)C[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181302410 332189762 /nfs/dbraw/zinc/18/97/62/332189762.db2.gz FFXKSXVNUUSRES-UHFFFAOYSA-N 1 0 322.408 4.511 20 30 DJEDRO CC[C@H](C)[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000538196992 332217724 /nfs/dbraw/zinc/21/77/24/332217724.db2.gz AEHTYEWIVYFHRU-BBRMVZONSA-N 1 0 310.894 4.664 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3n2)cc1 ZINC000584297412 332228062 /nfs/dbraw/zinc/22/80/62/332228062.db2.gz IVTPTEAPJPFBFC-INIZCTEOSA-N 1 0 318.420 4.650 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000537969045 332241555 /nfs/dbraw/zinc/24/15/55/332241555.db2.gz JJDPYAXGCUIALZ-CQSZACIVSA-N 1 0 316.495 4.512 20 30 DJEDRO CC(C)(C#N)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000536472923 332250201 /nfs/dbraw/zinc/25/02/01/332250201.db2.gz VBUPMQPFNBXLAM-UHFFFAOYSA-N 1 0 310.363 4.610 20 30 DJEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000152418939 332286921 /nfs/dbraw/zinc/28/69/21/332286921.db2.gz GMAMGVGVUTXFKX-GJZGRUSLSA-N 1 0 316.832 4.625 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc2ccccc2s1 ZINC000559879203 332288957 /nfs/dbraw/zinc/28/89/57/332288957.db2.gz ZQMAXLDNJUDCIN-LJQANCHMSA-N 1 0 318.445 4.940 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1cccc(C#N)c1 ZINC000559954459 332296806 /nfs/dbraw/zinc/29/68/06/332296806.db2.gz FTTCCLUQHIEZBO-INIZCTEOSA-N 1 0 320.436 4.730 20 30 DJEDRO N#CCC[C@@H](NCc1cc(Cl)ccc1F)c1ccccc1 ZINC000119847770 332311574 /nfs/dbraw/zinc/31/15/74/332311574.db2.gz OQNGAQSRPUIRDW-QGZVFWFLSA-N 1 0 302.780 4.614 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000560168985 332316486 /nfs/dbraw/zinc/31/64/86/332316486.db2.gz XZGFQJOUQRQUDI-UHFFFAOYSA-N 1 0 324.390 4.652 20 30 DJEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000560260696 332324895 /nfs/dbraw/zinc/32/48/95/332324895.db2.gz XRCQNBGBGWDYKV-SFHVURJKSA-N 1 0 310.828 4.942 20 30 DJEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(C)ccc1OC ZINC000560266712 332325317 /nfs/dbraw/zinc/32/53/17/332325317.db2.gz PRENGBQATYNASC-IBGZPJMESA-N 1 0 320.436 4.605 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427532486 332444824 /nfs/dbraw/zinc/44/48/24/332444824.db2.gz ZAEYOFFXBHSWHJ-BLLLJJGKSA-N 1 0 312.379 4.812 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000157308663 332514906 /nfs/dbraw/zinc/51/49/06/332514906.db2.gz VBUOEQQQYIBROB-UHFFFAOYSA-N 1 0 320.864 4.513 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000151395470 332576042 /nfs/dbraw/zinc/57/60/42/332576042.db2.gz LKVXBUKDVYYWJW-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444674467 332696477 /nfs/dbraw/zinc/69/64/77/332696477.db2.gz KWUUCMXEAMTZQJ-WMLDXEAASA-N 1 0 322.880 4.726 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000537979486 332753486 /nfs/dbraw/zinc/75/34/86/332753486.db2.gz JBTBURNCNTYKJL-AWEZNQCLSA-N 1 0 321.415 4.698 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000182421131 333040255 /nfs/dbraw/zinc/04/02/55/333040255.db2.gz FVHPJIPYLXFQHU-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCC(C)(C)C#N ZINC000174811272 333090893 /nfs/dbraw/zinc/09/08/93/333090893.db2.gz RDYZFYYQTIPIEX-ZDUSSCGKSA-N 1 0 301.459 4.619 20 30 DJEDRO CC[N@H+](Cc1cccc(F)c1)Cc1ccccc1C(C)(C)C#N ZINC000487377997 333131017 /nfs/dbraw/zinc/13/10/17/333131017.db2.gz NKOAFUWAZRHUHP-UHFFFAOYSA-N 1 0 310.416 4.649 20 30 DJEDRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCCC#N ZINC000178641862 333141679 /nfs/dbraw/zinc/14/16/79/333141679.db2.gz OHGBVTVTSXLAIU-GFCCVEGCSA-N 1 0 317.433 4.602 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541106 333162886 /nfs/dbraw/zinc/16/28/86/333162886.db2.gz HDXQMASGJWAJAX-CKJXQJPGSA-N 1 0 320.436 4.878 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000182089984 333175510 /nfs/dbraw/zinc/17/55/10/333175510.db2.gz FERZNLYKXKZVNU-VWKPWSFCSA-N 1 0 320.436 4.563 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O ZINC000186150519 333217379 /nfs/dbraw/zinc/21/73/79/333217379.db2.gz DYZPIVZBYQJUSW-DYVFJYSZSA-N 1 0 314.816 4.741 20 30 DJEDRO CC[N@H+](Cc1cccc(OC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497599901 333267779 /nfs/dbraw/zinc/26/77/79/333267779.db2.gz NHSDXFLYUPBOJP-QGZVFWFLSA-N 1 0 322.452 4.929 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000337364429 333447344 /nfs/dbraw/zinc/44/73/44/333447344.db2.gz ASEWCHLOVJVVHW-NRSPTQNISA-N 1 0 319.452 4.742 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000571129177 333666306 /nfs/dbraw/zinc/66/63/06/333666306.db2.gz GQLLBSPCNVNGAR-PMACEKPBSA-N 1 0 308.400 4.672 20 30 DJEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000273301346 334045127 /nfs/dbraw/zinc/04/51/27/334045127.db2.gz NCZXYSPGYSATLR-ZDUSSCGKSA-N 1 0 313.470 4.709 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccc(OCC#N)cc1 ZINC000277184019 334086823 /nfs/dbraw/zinc/08/68/23/334086823.db2.gz ICZXTQBWHNPXEJ-INIZCTEOSA-N 1 0 320.436 4.707 20 30 DJEDRO Cc1cccc(NC2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000277711298 334090263 /nfs/dbraw/zinc/09/02/63/334090263.db2.gz MSJMBTZCLIXHNP-UHFFFAOYSA-N 1 0 313.489 4.591 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000278391918 334095862 /nfs/dbraw/zinc/09/58/62/334095862.db2.gz DWGPKCGWMQJVCX-UXHICEINSA-N 1 0 303.409 4.644 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(-c2ccncc2)c1 ZINC000282325941 334133693 /nfs/dbraw/zinc/13/36/93/334133693.db2.gz NXLKVGUUASBLQW-WWDZGPRUSA-N 1 0 319.452 4.729 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000284325597 334143124 /nfs/dbraw/zinc/14/31/24/334143124.db2.gz MAZUTWWSBFDRCW-JKSUJKDBSA-N 1 0 310.363 4.625 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160115 334156439 /nfs/dbraw/zinc/15/64/39/334156439.db2.gz BRUJTVYSBZTNON-LZLYRXPVSA-N 1 0 321.424 4.607 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160110 334156449 /nfs/dbraw/zinc/15/64/49/334156449.db2.gz BRUJTVYSBZTNON-JZXOWHBKSA-N 1 0 321.424 4.607 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1coc2ccccc12 ZINC000340423517 334197521 /nfs/dbraw/zinc/19/75/21/334197521.db2.gz DUCDZGQFVYCPBT-HXUWFJFHSA-N 1 0 316.404 4.862 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000340428859 334198295 /nfs/dbraw/zinc/19/82/95/334198295.db2.gz BESMARCQVNJRRA-MGPUTAFESA-N 1 0 321.399 4.783 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431004 334198439 /nfs/dbraw/zinc/19/84/39/334198439.db2.gz BIUYFQHVEFLCRE-JXFKEZNVSA-N 1 0 303.409 4.644 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000340430269 334198977 /nfs/dbraw/zinc/19/89/77/334198977.db2.gz ROFUETWNYJDSDP-HNNXBMFYSA-N 1 0 312.379 4.670 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444206 334202921 /nfs/dbraw/zinc/20/29/21/334202921.db2.gz GYCHNAAPBKVEMI-KXBFYZLASA-N 1 0 323.396 4.681 20 30 DJEDRO COc1ccccc1C[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340445570 334203301 /nfs/dbraw/zinc/20/33/01/334203301.db2.gz FILPLAALLTVNCG-XLIONFOSSA-N 1 0 322.452 4.651 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445191 334203813 /nfs/dbraw/zinc/20/38/13/334203813.db2.gz LVGWQDJSAYKGQS-IERDGZPVSA-N 1 0 320.436 4.803 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445193 334203838 /nfs/dbraw/zinc/20/38/38/334203838.db2.gz LVGWQDJSAYKGQS-IIBYNOLFSA-N 1 0 320.436 4.803 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCSCC1 ZINC000340453927 334206467 /nfs/dbraw/zinc/20/64/67/334206467.db2.gz RZZJTGCFIKJIOH-YJBOKZPZSA-N 1 0 302.487 4.543 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340458006 334207552 /nfs/dbraw/zinc/20/75/52/334207552.db2.gz XEWVUTHPNAHOSL-YLJYHZDGSA-N 1 0 321.468 4.838 20 30 DJEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1C ZINC000303958509 334352311 /nfs/dbraw/zinc/35/23/11/334352311.db2.gz YKTUURXHVPMPDX-HXUWFJFHSA-N 1 0 308.400 4.651 20 30 DJEDRO C=CCCC[N@@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000535206820 334380158 /nfs/dbraw/zinc/38/01/58/334380158.db2.gz OHDPTWRJLJNJAH-UHFFFAOYSA-N 1 0 324.346 4.758 20 30 DJEDRO N#CCC[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000341355993 334440299 /nfs/dbraw/zinc/44/02/99/334440299.db2.gz QSWWOINXGBRYAH-LYBXBRPPSA-N 1 0 308.400 4.706 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000341760830 334478345 /nfs/dbraw/zinc/47/83/45/334478345.db2.gz MTCVUCOACGAFAZ-NHCUHLMSSA-N 1 0 320.436 4.685 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(C2CC2)cc1 ZINC000417362306 334739233 /nfs/dbraw/zinc/73/92/33/334739233.db2.gz ZXTNJMMKCHFTDT-ZIAGYGMSSA-N 1 0 308.400 4.987 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000425349609 334806014 /nfs/dbraw/zinc/80/60/14/334806014.db2.gz GLNSMVHAEIVEOY-MORSLUCNSA-N 1 0 300.833 4.558 20 30 DJEDRO Cc1ccc(OC2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444655771 338479334 /nfs/dbraw/zinc/47/93/34/338479334.db2.gz XVJJBZWOHJGQPM-UHFFFAOYSA-N 1 0 314.473 4.558 20 30 DJEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1Br ZINC000348218234 335562640 /nfs/dbraw/zinc/56/26/40/335562640.db2.gz RHSIADAXBGJVNR-HNNXBMFYSA-N 1 0 323.278 4.820 20 30 DJEDRO N#Cc1cc(C[NH2+][C@H](CC2CCC2)c2ccccc2)ccc1F ZINC000351094823 336013525 /nfs/dbraw/zinc/01/35/25/336013525.db2.gz DCLAPTKSLVSXIQ-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612090 336226995 /nfs/dbraw/zinc/22/69/95/336226995.db2.gz MREMKMKAWCZGMP-LEWJYISDSA-N 1 0 304.437 4.985 20 30 DJEDRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000192805281 336264804 /nfs/dbraw/zinc/26/48/04/336264804.db2.gz DVJROPANPAWAHP-INIZCTEOSA-N 1 0 307.441 4.573 20 30 DJEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000532783218 336271070 /nfs/dbraw/zinc/27/10/70/336271070.db2.gz JJCJPAQMEQZXJH-UHFFFAOYSA-N 1 0 312.482 4.942 20 30 DJEDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117268 336279498 /nfs/dbraw/zinc/27/94/98/336279498.db2.gz ORYMBIHQLOLIFT-IFXJQAMLSA-N 1 0 323.396 4.658 20 30 DJEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000192991114 336286649 /nfs/dbraw/zinc/28/66/49/336286649.db2.gz QFTAPMDMRLKCSJ-CVEARBPZSA-N 1 0 308.425 4.757 20 30 DJEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999018 336286763 /nfs/dbraw/zinc/28/67/63/336286763.db2.gz OCMVBZYTMXOVGD-JXFKEZNVSA-N 1 0 308.425 4.781 20 30 DJEDRO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2[nH+]1 ZINC000301642672 336320310 /nfs/dbraw/zinc/32/03/10/336320310.db2.gz BVLWJHRISXOQHF-ZDUSSCGKSA-N 1 0 305.356 4.727 20 30 DJEDRO Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2cc(F)ccc2[nH+]1 ZINC000301663189 336321550 /nfs/dbraw/zinc/32/15/50/336321550.db2.gz KHHPNJRUJBXNFR-CYBMUJFWSA-N 1 0 305.356 4.727 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCSc3c(F)cccc31)CC2 ZINC000353259288 336408497 /nfs/dbraw/zinc/40/84/97/336408497.db2.gz DVPGRISDRUDELM-QZTJIDSGSA-N 1 0 324.424 4.511 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000353903677 336447121 /nfs/dbraw/zinc/44/71/21/336447121.db2.gz XGGUWTQHKADMOI-HNNXBMFYSA-N 1 0 304.846 4.926 20 30 DJEDRO CCOc1cccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000353912747 336447562 /nfs/dbraw/zinc/44/75/62/336447562.db2.gz GEADMPCBUZSTBE-FQEVSTJZSA-N 1 0 308.425 4.610 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1 ZINC000353912806 336447675 /nfs/dbraw/zinc/44/76/75/336447675.db2.gz GNQKNMZXAMJXOE-HXUWFJFHSA-N 1 0 315.420 4.760 20 30 DJEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353917570 336448205 /nfs/dbraw/zinc/44/82/05/336448205.db2.gz UUGMICXKKSIIIB-LAUBAEHRSA-N 1 0 322.452 4.738 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000358036243 336607854 /nfs/dbraw/zinc/60/78/54/336607854.db2.gz KZHQZSJEDRHUAW-MFKMUULPSA-N 1 0 312.276 4.540 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(O)c(OCC)c1)c1ccccc1 ZINC000358110136 336612055 /nfs/dbraw/zinc/61/20/55/336612055.db2.gz LSZISFWTGPXSEN-GOSISDBHSA-N 1 0 311.425 4.588 20 30 DJEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358340981 336624837 /nfs/dbraw/zinc/62/48/37/336624837.db2.gz NGBMJOUKVLWESK-OXJNMPFZSA-N 1 0 310.416 4.781 20 30 DJEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000358344670 336625215 /nfs/dbraw/zinc/62/52/15/336625215.db2.gz WUZAFHCBIZWUIR-UTKZUKDTSA-N 1 0 322.452 4.651 20 30 DJEDRO CC(C)C[C@@H]([NH2+]CCCCC#N)c1cccc(Br)c1 ZINC000358747906 336641727 /nfs/dbraw/zinc/64/17/27/336641727.db2.gz IEVDSBBCGVSTSZ-MRXNPFEDSA-N 1 0 323.278 4.820 20 30 DJEDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360664957 336718366 /nfs/dbraw/zinc/71/83/66/336718366.db2.gz SXCDLQCLPBZOBS-QVKFZJNVSA-N 1 0 319.452 4.634 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000119273273 336883876 /nfs/dbraw/zinc/88/38/76/336883876.db2.gz FZSLJHOYTOORGR-KRWDZBQOSA-N 1 0 302.780 4.614 20 30 DJEDRO C[C@H]([NH2+]Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374694211 336995216 /nfs/dbraw/zinc/99/52/16/336995216.db2.gz OBCIOVSFVOHKPC-HNNXBMFYSA-N 1 0 302.377 4.669 20 30 DJEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721236 337017739 /nfs/dbraw/zinc/01/77/39/337017739.db2.gz VDAUONPGKHRPGE-HBMCJLEFSA-N 1 0 320.436 4.519 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-c2ccncc2)cc1 ZINC000176980868 337154021 /nfs/dbraw/zinc/15/40/21/337154021.db2.gz FZRJQRQVVFAPHR-CQSZACIVSA-N 1 0 319.433 4.533 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000583144067 337245506 /nfs/dbraw/zinc/24/55/06/337245506.db2.gz NSTVWCVICREUQP-QGZVFWFLSA-N 1 0 316.807 4.786 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805235 337250419 /nfs/dbraw/zinc/25/04/19/337250419.db2.gz FBRGAZSEWFZLPB-NJZAAPMLSA-N 1 0 306.862 4.549 20 30 DJEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000583276713 337300801 /nfs/dbraw/zinc/30/08/01/337300801.db2.gz OBCIKSFHFOFYAJ-SZMVWBNQSA-N 1 0 304.865 4.579 20 30 DJEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000584569787 337363526 /nfs/dbraw/zinc/36/35/26/337363526.db2.gz UHZBVOUTISORQQ-UXHICEINSA-N 1 0 320.436 4.685 20 30 DJEDRO CC(C)(C#N)CC[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000527485407 337744509 /nfs/dbraw/zinc/74/45/09/337744509.db2.gz DDGLMKBUCFKNDY-UHFFFAOYSA-N 1 0 312.379 4.556 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850736 337769064 /nfs/dbraw/zinc/76/90/64/337769064.db2.gz KLRNHWXQSDVMPG-BBATYDOGSA-N 1 0 314.791 4.689 20 30 DJEDRO CC[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962029 337780304 /nfs/dbraw/zinc/78/03/04/337780304.db2.gz DJQCVFZCFJVNHV-AZUAARDMSA-N 1 0 305.425 4.535 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000424332434 337822352 /nfs/dbraw/zinc/82/23/52/337822352.db2.gz SZEQHXZEXGEODL-APHBMKBZSA-N 1 0 310.363 4.684 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000537125422 337893627 /nfs/dbraw/zinc/89/36/27/337893627.db2.gz NTTCKBGJHQDGAA-GOSISDBHSA-N 1 0 302.437 4.977 20 30 DJEDRO N#CCCC[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000537130960 337894516 /nfs/dbraw/zinc/89/45/16/337894516.db2.gz IMHPPUMGANGLLY-LEWJYISDSA-N 1 0 304.437 4.741 20 30 DJEDRO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000121879507 337900239 /nfs/dbraw/zinc/90/02/39/337900239.db2.gz ACBRGLTXCZBIKT-FQEVSTJZSA-N 1 0 320.436 4.685 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000537406613 337933658 /nfs/dbraw/zinc/93/36/58/337933658.db2.gz HKERUERHMAHUFM-VOJFVSQTSA-N 1 0 318.342 4.777 20 30 DJEDRO C[C@@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000315392438 337986029 /nfs/dbraw/zinc/98/60/29/337986029.db2.gz FQWYFKNXJYXACT-NVPAJSRCSA-N 1 0 310.828 4.808 20 30 DJEDRO C[C@@H]([NH2+]C1CC(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000315411619 337986562 /nfs/dbraw/zinc/98/65/62/337986562.db2.gz HKAMMLPPETVURG-UYCDIGJJSA-N 1 0 310.828 4.808 20 30 DJEDRO C[C@@H](NCc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl ZINC000426741487 338040092 /nfs/dbraw/zinc/04/00/92/338040092.db2.gz LIXTXAOVDGULMC-SNVBAGLBSA-N 1 0 323.198 4.855 20 30 DJEDRO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000428326993 338047341 /nfs/dbraw/zinc/04/73/41/338047341.db2.gz RHJRWVYIVSNPHW-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000428440182 338051487 /nfs/dbraw/zinc/05/14/87/338051487.db2.gz RVOWCPVQMLEBJE-STQMWFEESA-N 1 0 304.434 4.640 20 30 DJEDRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(CC#N)CC3)cs2)cs1 ZINC000430744462 338113155 /nfs/dbraw/zinc/11/31/55/338113155.db2.gz VCDLOUYLXPDFGY-LLVKDONJSA-N 1 0 317.483 4.525 20 30 DJEDRO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(CC#N)CC3)cs2)cs1 ZINC000430744463 338113191 /nfs/dbraw/zinc/11/31/91/338113191.db2.gz VCDLOUYLXPDFGY-NSHDSACASA-N 1 0 317.483 4.525 20 30 DJEDRO Cc1ccc(C)c([C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c1 ZINC000430751007 338113684 /nfs/dbraw/zinc/11/36/84/338113684.db2.gz RKXJXNPUNYZIHJ-FQEVSTJZSA-N 1 0 304.437 4.676 20 30 DJEDRO Cc1nc(C(C)C)oc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433025126 338176901 /nfs/dbraw/zinc/17/69/01/338176901.db2.gz HTYQODZKCYVBDI-KRWDZBQOSA-N 1 0 311.429 4.631 20 30 DJEDRO CSc1ccccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433027215 338177037 /nfs/dbraw/zinc/17/70/37/338177037.db2.gz UBZGENKTZINLML-GOSISDBHSA-N 1 0 310.466 4.933 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434492184 338218350 /nfs/dbraw/zinc/21/83/50/338218350.db2.gz MWVNNOAZCXPISI-MRXNPFEDSA-N 1 0 308.400 4.580 20 30 DJEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434497603 338218444 /nfs/dbraw/zinc/21/84/44/338218444.db2.gz OHSAUWGQIKKDTL-INIZCTEOSA-N 1 0 308.400 4.580 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000435663419 338244496 /nfs/dbraw/zinc/24/44/96/338244496.db2.gz NUOSAHZVAQOOSK-OMWUSAIZSA-N 1 0 310.828 4.808 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000436291965 338266590 /nfs/dbraw/zinc/26/65/90/338266590.db2.gz AZVOCOXFQGMYDW-KWBADKCTSA-N 1 0 320.285 4.687 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000436318055 338268916 /nfs/dbraw/zinc/26/89/16/338268916.db2.gz XABMKEMDQVIEBF-JQHSSLGASA-N 1 0 307.865 4.608 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000437758995 338320297 /nfs/dbraw/zinc/32/02/97/338320297.db2.gz CROMITGWVZERBA-HBMCJLEFSA-N 1 0 304.437 4.957 20 30 DJEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2Cl)CCCc2ccccc21 ZINC000439416569 338368751 /nfs/dbraw/zinc/36/87/51/338368751.db2.gz BIZFZLKPSWLTMK-LJQANCHMSA-N 1 0 310.828 4.553 20 30 DJEDRO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439425552 338368949 /nfs/dbraw/zinc/36/89/49/338368949.db2.gz URCPMRQSXVBGHZ-LLVKDONJSA-N 1 0 320.770 4.683 20 30 DJEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000441370793 338410991 /nfs/dbraw/zinc/41/09/91/338410991.db2.gz IUJDFRLEFVTOCE-UHFFFAOYSA-N 1 0 312.388 4.505 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000442778785 338430615 /nfs/dbraw/zinc/43/06/15/338430615.db2.gz BZOMIXAUMSPOGA-CSMYWGQOSA-N 1 0 316.857 4.773 20 30 DJEDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)sc2ccc(Cl)cc12 ZINC000442854307 338434944 /nfs/dbraw/zinc/43/49/44/338434944.db2.gz KSHHAAKIGUEAKI-DGCLKSJQSA-N 1 0 304.846 4.645 20 30 DJEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1CCC(C#N)CC1 ZINC000442861877 338435784 /nfs/dbraw/zinc/43/57/84/338435784.db2.gz ZCDHPTGVQGLCDU-HSBZDZAISA-N 1 0 310.894 4.642 20 30 DJEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1F ZINC000442867658 338436219 /nfs/dbraw/zinc/43/62/19/338436219.db2.gz LWGKEZODQWVJOO-ZUEPYMLJSA-N 1 0 308.828 4.850 20 30 DJEDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000442867382 338436234 /nfs/dbraw/zinc/43/62/34/338436234.db2.gz LDVHJLVCOYGVKE-STQMWFEESA-N 1 0 314.429 4.831 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000442871752 338436882 /nfs/dbraw/zinc/43/68/82/338436882.db2.gz GMRKMGUQUOMJIW-QIRNKGDASA-N 1 0 316.876 4.896 20 30 DJEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000442874653 338437191 /nfs/dbraw/zinc/43/71/91/338437191.db2.gz NHKVZHZKZQPEEL-KVULBXGLSA-N 1 0 322.399 4.659 20 30 DJEDRO Cc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C2CCCC2)cc1 ZINC000446742763 338534384 /nfs/dbraw/zinc/53/43/84/338534384.db2.gz CDOBEOBKLJKJOL-NRFANRHFSA-N 1 0 304.437 4.888 20 30 DJEDRO CC[C@H]([NH2+]CCc1c[nH]c2c1cccc2C)c1ccc(C#N)cc1 ZINC000447526719 338554000 /nfs/dbraw/zinc/55/40/00/338554000.db2.gz CFKYVGGSXIOKQR-FQEVSTJZSA-N 1 0 317.436 4.631 20 30 DJEDRO CC1(C#N)CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000449063675 338589646 /nfs/dbraw/zinc/58/96/46/338589646.db2.gz QNRUMGONYBDEIL-UHFFFAOYSA-N 1 0 318.464 4.881 20 30 DJEDRO CC1(C#N)CCC([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000449340906 338614898 /nfs/dbraw/zinc/61/48/98/338614898.db2.gz RADZXVXDSXCYGK-CGZBRXJRSA-N 1 0 324.390 4.785 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000449446180 338624773 /nfs/dbraw/zinc/62/47/73/338624773.db2.gz OLGUWIZLFUSVFF-SFTDATJTSA-N 1 0 318.464 4.512 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449447950 338625036 /nfs/dbraw/zinc/62/50/36/338625036.db2.gz CQCBTAALEOFJPZ-GMXGEUMGSA-N 1 0 320.839 4.992 20 30 DJEDRO N#CCCCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453107489 338794613 /nfs/dbraw/zinc/79/46/13/338794613.db2.gz LGPZHEBTWSOXRM-KRWDZBQOSA-N 1 0 318.873 4.969 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@H](CC)c1ccncc1)c1ccc(F)c(F)c1 ZINC000453195521 338806048 /nfs/dbraw/zinc/80/60/48/338806048.db2.gz KMVICJHHOPPNLQ-QZTJIDSGSA-N 1 0 302.368 4.718 20 30 DJEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000453289954 338819377 /nfs/dbraw/zinc/81/93/77/338819377.db2.gz KBDSQOWJYYGSOS-RYRKJORJSA-N 1 0 300.446 4.598 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000453292779 338819691 /nfs/dbraw/zinc/81/96/91/338819691.db2.gz PCEGVPXPTMDUMP-ZLIFDBKOSA-N 1 0 322.374 4.828 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000453297920 338820420 /nfs/dbraw/zinc/82/04/20/338820420.db2.gz WQPXLNQGFIEFGD-ZOCIIQOWSA-N 1 0 300.421 4.729 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccco1 ZINC000453401327 338838621 /nfs/dbraw/zinc/83/86/21/338838621.db2.gz ZDFKTEZALNXJOH-HLLBOEOZSA-N 1 0 317.454 4.858 20 30 DJEDRO C=CCCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459540189 339034835 /nfs/dbraw/zinc/03/48/35/339034835.db2.gz UWLOTURQPKSLRB-UHFFFAOYSA-N 1 0 324.472 4.506 20 30 DJEDRO CC1(C#N)CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000459712476 339044008 /nfs/dbraw/zinc/04/40/08/339044008.db2.gz NAQBCCQDZNKTJD-UHFFFAOYSA-N 1 0 316.876 4.725 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459715802 339044117 /nfs/dbraw/zinc/04/41/17/339044117.db2.gz PITWUZCNSRGODE-UHFFFAOYSA-N 1 0 304.865 4.582 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065296 339071708 /nfs/dbraw/zinc/07/17/08/339071708.db2.gz MBCKJBWKJROXGZ-RTWAWAEBSA-N 1 0 306.453 4.512 20 30 DJEDRO C=CCC[NH2+][C@@H](c1ccccc1Cl)c1ccccc1OC ZINC000462234571 339074771 /nfs/dbraw/zinc/07/47/71/339074771.db2.gz HAXZKGGDNDWGPC-SFHVURJKSA-N 1 0 301.817 4.604 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CCC[C@H]1C)c1cccc(C#N)c1 ZINC000462842222 339093807 /nfs/dbraw/zinc/09/38/07/339093807.db2.gz XMIFERHVXSUJOJ-VWKPWSFCSA-N 1 0 304.437 4.923 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000462843343 339093892 /nfs/dbraw/zinc/09/38/92/339093892.db2.gz TVYGEZSKVWURIH-XFQAVAEZSA-N 1 0 304.437 4.923 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3cccs3)CCCCC2)C1 ZINC000463238158 339111129 /nfs/dbraw/zinc/11/11/29/339111129.db2.gz ZHAGWZITZCLURU-HOTGVXAUSA-N 1 0 302.487 4.622 20 30 DJEDRO CC(C)(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000463239239 339111175 /nfs/dbraw/zinc/11/11/75/339111175.db2.gz VBMADKFRNDCPHQ-HACGYAERSA-N 1 0 306.400 4.724 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463288133 339113565 /nfs/dbraw/zinc/11/35/65/339113565.db2.gz LTQGTXQRZBULSQ-TYNCELHUSA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463295948 339113970 /nfs/dbraw/zinc/11/39/70/339113970.db2.gz QOUDDLUGVCGKIY-HLAWJBBLSA-N 1 0 304.437 4.642 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000463297325 339113974 /nfs/dbraw/zinc/11/39/74/339113974.db2.gz KPPGTWVVZGTAAL-IOMROCGXSA-N 1 0 304.437 4.756 20 30 DJEDRO C=C(C)C[C@H](C)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000464450499 339142447 /nfs/dbraw/zinc/14/24/47/339142447.db2.gz WNVSEZWFLRTUKV-INIZCTEOSA-N 1 0 314.473 4.589 20 30 DJEDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000464787078 339153640 /nfs/dbraw/zinc/15/36/40/339153640.db2.gz WQNYNRYAUDFUGZ-IBGZPJMESA-N 1 0 322.477 4.553 20 30 DJEDRO COc1ccc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000466739458 339215082 /nfs/dbraw/zinc/21/50/82/339215082.db2.gz LXOBJAWDOFNDGN-INIZCTEOSA-N 1 0 320.436 4.507 20 30 DJEDRO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCSCC#N ZINC000466744133 339215367 /nfs/dbraw/zinc/21/53/67/339215367.db2.gz CIDQFMMYLGMADA-KRWDZBQOSA-N 1 0 324.493 4.993 20 30 DJEDRO Cc1oc2ccccc2c1CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000467007074 339224496 /nfs/dbraw/zinc/22/44/96/339224496.db2.gz YJPHJLOVIQLIPC-CQSZACIVSA-N 1 0 304.393 4.506 20 30 DJEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467429802 339238035 /nfs/dbraw/zinc/23/80/35/339238035.db2.gz NFSUGDANKZWKQT-OAHLLOKOSA-N 1 0 304.393 4.506 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000467445028 339239032 /nfs/dbraw/zinc/23/90/32/339239032.db2.gz YKZLSIWPVILFIM-MHEUCROKSA-N 1 0 323.267 4.911 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000469995951 339307489 /nfs/dbraw/zinc/30/74/89/339307489.db2.gz HHKLPUXDNSHIJF-HNNXBMFYSA-N 1 0 324.390 4.651 20 30 DJEDRO Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000471600719 339348884 /nfs/dbraw/zinc/34/88/84/339348884.db2.gz DMBRMNWNTJMDOF-CVEARBPZSA-N 1 0 310.466 4.698 20 30 DJEDRO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619022 339349885 /nfs/dbraw/zinc/34/98/85/339349885.db2.gz MCBWLPQGMDTXEM-RCBQFDQVSA-N 1 0 310.363 4.828 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1nn(CC)c2ccccc12)c1ccccc1 ZINC000472036883 339359928 /nfs/dbraw/zinc/35/99/28/339359928.db2.gz FGACCAJFNWMTKC-IBGZPJMESA-N 1 0 319.452 4.853 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1nn(CC)c2ccccc12)c1ccccc1 ZINC000472036884 339359956 /nfs/dbraw/zinc/35/99/56/339359956.db2.gz FGACCAJFNWMTKC-LJQANCHMSA-N 1 0 319.452 4.853 20 30 DJEDRO CC(C)(C#N)CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000472234609 339366901 /nfs/dbraw/zinc/36/69/01/339366901.db2.gz WBWGNEKGAYXADP-UHFFFAOYSA-N 1 0 310.363 4.614 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000472434660 339371682 /nfs/dbraw/zinc/37/16/82/339371682.db2.gz WIUYFDMEOMIDEN-MRXNPFEDSA-N 1 0 304.865 4.677 20 30 DJEDRO N#Cc1csc(C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000475576135 339456262 /nfs/dbraw/zinc/45/62/62/339456262.db2.gz VCRSWUMHJBZITO-UHFFFAOYSA-N 1 0 316.857 4.653 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H](C)CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480668301 339582435 /nfs/dbraw/zinc/58/24/35/339582435.db2.gz MJUYIOXWCNZHQZ-HZMBPMFUSA-N 1 0 307.306 4.903 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CSc2ccccc21 ZINC000481667167 339609191 /nfs/dbraw/zinc/60/91/91/339609191.db2.gz GTSYPVUCYLVJSI-MOPGFXCFSA-N 1 0 320.461 4.762 20 30 DJEDRO CCOc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481918943 339616634 /nfs/dbraw/zinc/61/66/34/339616634.db2.gz HFZJTZDPJJYAKB-NRFANRHFSA-N 1 0 320.436 4.514 20 30 DJEDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000482002254 339619283 /nfs/dbraw/zinc/61/92/83/339619283.db2.gz PCHZDXGJEUVTSY-GDBMZVCRSA-N 1 0 310.363 4.646 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000484092131 339680936 /nfs/dbraw/zinc/68/09/36/339680936.db2.gz HAWCKPWHJJFUTQ-HXUWFJFHSA-N 1 0 322.383 4.930 20 30 DJEDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCCC(C)(C)C#N)c1 ZINC000484634038 339691230 /nfs/dbraw/zinc/69/12/30/339691230.db2.gz BOOTXVKBLPPCDM-MOPGFXCFSA-N 1 0 314.473 4.605 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)c1ccc(C#N)cc1 ZINC000485817794 339713686 /nfs/dbraw/zinc/71/36/86/339713686.db2.gz LFBWDQNVBKNKFA-STQMWFEESA-N 1 0 307.422 4.580 20 30 DJEDRO Cc1cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)ccc1C#N ZINC000488155500 339771947 /nfs/dbraw/zinc/77/19/47/339771947.db2.gz XCDXJWZCEUTAQV-IBGZPJMESA-N 1 0 314.379 4.632 20 30 DJEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488152226 339772045 /nfs/dbraw/zinc/77/20/45/339772045.db2.gz QENWQJMKXPKLFQ-FQEVSTJZSA-N 1 0 322.452 4.752 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000488471907 339784517 /nfs/dbraw/zinc/78/45/17/339784517.db2.gz UGEYLUJVHIEGKJ-NEPJUHHUSA-N 1 0 302.780 4.763 20 30 DJEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000496870283 340014983 /nfs/dbraw/zinc/01/49/83/340014983.db2.gz WWLFXWBRANEUIP-UHFFFAOYSA-N 1 0 319.452 4.546 20 30 DJEDRO CC(C)(CC1CCCCCC1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000499690721 340042718 /nfs/dbraw/zinc/04/27/18/340042718.db2.gz BESYNXYHYWNZFM-UHFFFAOYSA-N 1 0 320.521 4.816 20 30 DJEDRO C[C@H](CCc1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500086216 340049909 /nfs/dbraw/zinc/04/99/09/340049909.db2.gz USKNAPKTZSIKKU-FQVISZRSSA-N 1 0 322.452 4.594 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000502561168 340107909 /nfs/dbraw/zinc/10/79/09/340107909.db2.gz BLABVGJIWLNGEC-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC(C)(C#N)CC1 ZINC000503559906 340130534 /nfs/dbraw/zinc/13/05/34/340130534.db2.gz OHZYGJVBCRXKQR-SDNWHVSQSA-N 1 0 322.374 4.734 20 30 DJEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)c1 ZINC000503574454 340131209 /nfs/dbraw/zinc/13/12/09/340131209.db2.gz SHSRBHORFUULNA-UHFFFAOYSA-N 1 0 316.379 4.654 20 30 DJEDRO CC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccc(C#N)cc1 ZINC000479459478 340151829 /nfs/dbraw/zinc/15/18/29/340151829.db2.gz WSNVZQTXCLIYTN-LJQANCHMSA-N 1 0 317.436 4.599 20 30 DJEDRO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC(C)(C#N)CC1 ZINC000506026342 340183623 /nfs/dbraw/zinc/18/36/23/340183623.db2.gz GDRQUPJQMLEIMN-UHFFFAOYSA-N 1 0 322.452 4.753 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)cc1F ZINC000506221802 340189049 /nfs/dbraw/zinc/18/90/49/340189049.db2.gz VWYBSPQPPATYEE-ZMZPIMSZSA-N 1 0 314.791 4.689 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000506234380 340189527 /nfs/dbraw/zinc/18/95/27/340189527.db2.gz PUMHIDAHXOWBFL-GOSISDBHSA-N 1 0 313.828 4.682 20 30 DJEDRO CC[N@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000507188796 340211960 /nfs/dbraw/zinc/21/19/60/340211960.db2.gz RQFMNKXXJAPJLO-UHFFFAOYSA-N 1 0 323.278 4.601 20 30 DJEDRO Cc1cc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c(C)o1 ZINC000507627499 340226931 /nfs/dbraw/zinc/22/69/31/340226931.db2.gz ATSUUUBFUFWIFB-YQHFOJDRSA-N 1 0 322.452 4.951 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000507721265 340229455 /nfs/dbraw/zinc/22/94/55/340229455.db2.gz QDPOSJIXIFBSSN-UHFFFAOYSA-N 1 0 322.477 4.963 20 30 DJEDRO CCC[N@H+](Cc1cnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000508603251 340247699 /nfs/dbraw/zinc/24/76/99/340247699.db2.gz IJAOMRMHLATRQR-UHFFFAOYSA-N 1 0 313.470 4.550 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)c1ccccc1OC ZINC000508625823 340248618 /nfs/dbraw/zinc/24/86/18/340248618.db2.gz ROGIJAAEZYZLDH-AWEZNQCLSA-N 1 0 314.454 4.602 20 30 DJEDRO CCN(Cc1ccc(-c2ccccc2Cl)o1)C[C@@H](C)C#N ZINC000509796871 340279410 /nfs/dbraw/zinc/27/94/10/340279410.db2.gz DOUNGCZEKLSRCF-ZDUSSCGKSA-N 1 0 302.805 4.582 20 30 DJEDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000510258550 340294333 /nfs/dbraw/zinc/29/43/33/340294333.db2.gz ZQNDRJAHKIUZQO-FUHWJXTLSA-N 1 0 314.473 4.798 20 30 DJEDRO CC[N@H+](CCSc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000303538389 340331619 /nfs/dbraw/zinc/33/16/19/340331619.db2.gz JAQBWQQNPGRKJV-MRXNPFEDSA-N 1 0 310.466 4.733 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511813366 340338923 /nfs/dbraw/zinc/33/89/23/340338923.db2.gz FEZHYBIUYGPUBB-JKSUJKDBSA-N 1 0 324.390 4.871 20 30 DJEDRO N#CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511842189 340339983 /nfs/dbraw/zinc/33/99/83/340339983.db2.gz GEIAUVWGQZFKDU-YPAWHYETSA-N 1 0 316.448 4.521 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511895670 340342164 /nfs/dbraw/zinc/34/21/64/340342164.db2.gz YEFVTTLVGDDJBY-ZCNNSNEGSA-N 1 0 310.485 4.975 20 30 DJEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc(Cl)c1 ZINC000512162487 340350401 /nfs/dbraw/zinc/35/04/01/340350401.db2.gz CHHZNGJGVASQKP-AWEZNQCLSA-N 1 0 319.832 4.565 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(OC)cc1 ZINC000512283773 340355268 /nfs/dbraw/zinc/35/52/68/340355268.db2.gz UBGGNJXNCICKPL-BFUOFWGJSA-N 1 0 312.388 4.508 20 30 DJEDRO C=C(C)C[N@@H+](CCCCC(F)(F)F)Cc1cnn(C(C)C)c1 ZINC000512547311 340366295 /nfs/dbraw/zinc/36/62/95/340366295.db2.gz LTBGKIUATUWXPR-UHFFFAOYSA-N 1 0 317.399 4.575 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)cc1F ZINC000512625404 340369622 /nfs/dbraw/zinc/36/96/22/340369622.db2.gz NXZWNFZSJULXIX-LSDHHAIUSA-N 1 0 322.427 4.988 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512637114 340370325 /nfs/dbraw/zinc/37/03/25/340370325.db2.gz RNYHFNLEPNZJJO-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000512665142 340371935 /nfs/dbraw/zinc/37/19/35/340371935.db2.gz DRIGBMXDHZGYSJ-ZIAGYGMSSA-N 1 0 314.429 4.529 20 30 DJEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404053875 340375644 /nfs/dbraw/zinc/37/56/44/340375644.db2.gz GDTQAJGBCJUZIP-GFCCVEGCSA-N 1 0 302.780 4.544 20 30 DJEDRO N#CC1CCC(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000513491180 340410291 /nfs/dbraw/zinc/41/02/91/340410291.db2.gz SCPLLAFOFKGVLT-UHFFFAOYSA-N 1 0 302.849 4.506 20 30 DJEDRO C=C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000520849299 340476357 /nfs/dbraw/zinc/47/63/57/340476357.db2.gz MAECQMWQQPLALS-UHFFFAOYSA-N 1 0 313.363 4.516 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000229683720 340614703 /nfs/dbraw/zinc/61/47/03/340614703.db2.gz XLKBYICHSCLLNM-CQSZACIVSA-N 1 0 308.878 4.796 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000538232710 340814277 /nfs/dbraw/zinc/81/42/77/340814277.db2.gz GSWOIKHKUOMOFB-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000538395451 340820893 /nfs/dbraw/zinc/82/08/93/340820893.db2.gz CHUIIJOTGMNNOS-MRXNPFEDSA-N 1 0 322.452 4.895 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1cccc(C#N)c1F)C(C)(C)C ZINC000540459283 340932135 /nfs/dbraw/zinc/93/21/35/340932135.db2.gz VCGMWJAOZHUGRH-IBGZPJMESA-N 1 0 310.416 4.883 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000540605824 340938308 /nfs/dbraw/zinc/93/83/08/340938308.db2.gz LJIGDPMAEDXQIT-CVEARBPZSA-N 1 0 317.477 4.612 20 30 DJEDRO CSc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000541221016 340962533 /nfs/dbraw/zinc/96/25/33/340962533.db2.gz JEELMPHKVCOTTC-LSDHHAIUSA-N 1 0 310.466 4.562 20 30 DJEDRO N#Cc1csc(C[NH2+]C2CCC(c3ccc(F)cc3)CC2)c1 ZINC000541923205 340989667 /nfs/dbraw/zinc/98/96/67/340989667.db2.gz KICSOQBIJINILV-UHFFFAOYSA-N 1 0 314.429 4.575 20 30 DJEDRO CCc1ccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000542281938 341003469 /nfs/dbraw/zinc/00/34/69/341003469.db2.gz JJXWHGYAGBEFKV-NRFANRHFSA-N 1 0 306.453 4.802 20 30 DJEDRO C=C(CC)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569445 341014041 /nfs/dbraw/zinc/01/40/41/341014041.db2.gz URUPYLIXFXUFEB-CYBMUJFWSA-N 1 0 316.470 4.744 20 30 DJEDRO CC(C)([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000542575380 341014329 /nfs/dbraw/zinc/01/43/29/341014329.db2.gz GFPOVYHPEDBNSZ-UHFFFAOYSA-N 1 0 323.383 4.643 20 30 DJEDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542948440 341027076 /nfs/dbraw/zinc/02/70/76/341027076.db2.gz VZWLTABQRKNPEY-MRXNPFEDSA-N 1 0 316.404 4.978 20 30 DJEDRO C=C(CC)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543052593 341029513 /nfs/dbraw/zinc/02/95/13/341029513.db2.gz SIWLXYLWKAYQCY-GOSISDBHSA-N 1 0 300.833 4.575 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543139279 341033877 /nfs/dbraw/zinc/03/38/77/341033877.db2.gz PVOIDAYZLKMYCL-LJQANCHMSA-N 1 0 312.844 4.893 20 30 DJEDRO N#CCCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000543427376 341044047 /nfs/dbraw/zinc/04/40/47/341044047.db2.gz ZMZUOWBVSZZTMZ-CVEARBPZSA-N 1 0 310.363 4.625 20 30 DJEDRO C=CCCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000543499880 341047567 /nfs/dbraw/zinc/04/75/67/341047567.db2.gz KFFRPLBYQWTFBM-CYBMUJFWSA-N 1 0 316.470 4.744 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(F)cc3)CC2)s1 ZINC000543780519 341058384 /nfs/dbraw/zinc/05/83/84/341058384.db2.gz LXWRWJBGBKWMER-UHFFFAOYSA-N 1 0 314.429 4.575 20 30 DJEDRO N#CCC1CC[NH+](Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000543781172 341058619 /nfs/dbraw/zinc/05/86/19/341058619.db2.gz NZRYVVNDTUCFJR-UHFFFAOYSA-N 1 0 322.477 4.963 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000544071080 341069316 /nfs/dbraw/zinc/06/93/16/341069316.db2.gz MNRKRCQDBMSCRN-IBGZPJMESA-N 1 0 310.416 4.769 20 30 DJEDRO N#CCc1ccc(C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000544144961 341072136 /nfs/dbraw/zinc/07/21/36/341072136.db2.gz CKZRJFDIFHRLGL-UHFFFAOYSA-N 1 0 320.411 4.571 20 30 DJEDRO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000545235947 341116297 /nfs/dbraw/zinc/11/62/97/341116297.db2.gz FGHONTCDPSTAKZ-GFCCVEGCSA-N 1 0 308.356 4.603 20 30 DJEDRO CC[C@@H](CC(F)(F)F)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000545459885 341125943 /nfs/dbraw/zinc/12/59/43/341125943.db2.gz DZLWGCHFWMFQFV-GTPINHCMSA-N 1 0 324.390 4.711 20 30 DJEDRO C[C@@H](CC[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000545961451 341148516 /nfs/dbraw/zinc/14/85/16/341148516.db2.gz RFGNZNCQHLPOSF-SFHVURJKSA-N 1 0 322.452 4.653 20 30 DJEDRO N#CCSCCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000074989094 341159044 /nfs/dbraw/zinc/15/90/44/341159044.db2.gz VAOFPRYWVFDTQS-LJQANCHMSA-N 1 0 310.466 4.624 20 30 DJEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](C)c2cccc(C)c2)cc1 ZINC000546308606 341162491 /nfs/dbraw/zinc/16/24/91/341162491.db2.gz NKKRVHWSUXXFDS-DYESRHJHSA-N 1 0 322.452 4.742 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000546632856 341176287 /nfs/dbraw/zinc/17/62/87/341176287.db2.gz GCFWSURYUBVHQQ-YGONEPDPSA-N 1 0 310.363 4.578 20 30 DJEDRO CCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755631 341182029 /nfs/dbraw/zinc/18/20/29/341182029.db2.gz XOOGMVGMFNBWAG-INIZCTEOSA-N 1 0 308.425 4.588 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](CC)CC(F)(F)F)cc1Cl ZINC000546881038 341185249 /nfs/dbraw/zinc/18/52/49/341185249.db2.gz ZHNJFEWCFXFYJW-GFCCVEGCSA-N 1 0 321.770 4.725 20 30 DJEDRO CC(C)CCOc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000236775219 341199538 /nfs/dbraw/zinc/19/95/38/341199538.db2.gz FOIDBZVXLVQYAG-UHFFFAOYSA-N 1 0 302.462 4.531 20 30 DJEDRO Cc1ccc(-c2ccc(C[NH2+]Cc3cccc(C#N)c3)s2)cc1 ZINC000237723287 341218970 /nfs/dbraw/zinc/21/89/70/341218970.db2.gz IHQKODUNXIZZCK-UHFFFAOYSA-N 1 0 318.445 4.885 20 30 DJEDRO N#Cc1csc(C[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000237849573 341221965 /nfs/dbraw/zinc/22/19/65/341221965.db2.gz DNAYRFZPZPBZQR-UHFFFAOYSA-N 1 0 318.445 4.541 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000237878862 341222417 /nfs/dbraw/zinc/22/24/17/341222417.db2.gz SCYOZLGXOKOAPP-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000135187487 341233004 /nfs/dbraw/zinc/23/30/04/341233004.db2.gz YJBKBVLZPXSEAA-UHFFFAOYSA-N 1 0 322.452 4.521 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(F)c(F)c1 ZINC000547820680 341234827 /nfs/dbraw/zinc/23/48/27/341234827.db2.gz VETOJEDHSDJYBE-HXUWFJFHSA-N 1 0 324.374 4.920 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)s1 ZINC000135682692 341244019 /nfs/dbraw/zinc/24/40/19/341244019.db2.gz NCSUAQIHVDRVLQ-MRXNPFEDSA-N 1 0 302.468 4.702 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544959 341297157 /nfs/dbraw/zinc/29/71/57/341297157.db2.gz RUYZSPHXEZZCAV-XPIZARPCSA-N 1 0 315.420 4.568 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000549997609 341308426 /nfs/dbraw/zinc/30/84/26/341308426.db2.gz NHSWYEIGSTUNIN-VJUNAUMWSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000551175049 341333041 /nfs/dbraw/zinc/33/30/41/341333041.db2.gz FRYHVRLDCIXHGX-SIFCLUCFSA-N 1 0 313.416 4.611 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000551241884 341335181 /nfs/dbraw/zinc/33/51/81/341335181.db2.gz XBDLMAXUTCTRIF-LBPRGKRZSA-N 1 0 313.388 4.550 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccco1 ZINC000552068307 341367123 /nfs/dbraw/zinc/36/71/23/341367123.db2.gz QUZMPRYTCFIWEH-IBGZPJMESA-N 1 0 321.424 4.571 20 30 DJEDRO C=CCC[C@@H](NCc1cccc(OC(C)(C)C)n1)c1ccco1 ZINC000552275338 341383118 /nfs/dbraw/zinc/38/31/18/341383118.db2.gz SBCQRVGKKGMMAP-MRXNPFEDSA-N 1 0 314.429 4.649 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000552282924 341384111 /nfs/dbraw/zinc/38/41/11/341384111.db2.gz SDAMIURVTYGPDO-HNNXBMFYSA-N 1 0 309.331 4.537 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](CC(C)C)c2ccccn2)cc1 ZINC000552322492 341386473 /nfs/dbraw/zinc/38/64/73/341386473.db2.gz PFZLITYWEPSUAN-HXUWFJFHSA-N 1 0 310.441 4.523 20 30 DJEDRO Cc1cccc(C)c1OC[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000553063517 341414575 /nfs/dbraw/zinc/41/45/75/341414575.db2.gz ZZENWGSUQSMQLA-FQEVSTJZSA-N 1 0 322.452 4.707 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000091400588 341425703 /nfs/dbraw/zinc/42/57/03/341425703.db2.gz QURFPDQXUZGQRI-AEFFLSMTSA-N 1 0 319.452 4.931 20 30 DJEDRO COc1ccc2oc([C@@H](C)[NH2+]CC(C)(C)CCC#N)c(C)c2c1 ZINC000554066995 341442297 /nfs/dbraw/zinc/44/22/97/341442297.db2.gz HQTLLTAIOPSCOH-CQSZACIVSA-N 1 0 314.429 4.730 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000554842228 341466171 /nfs/dbraw/zinc/46/61/71/341466171.db2.gz SVTHUPATOOHRNL-RYUDHWBXSA-N 1 0 302.780 4.763 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000555334594 341480416 /nfs/dbraw/zinc/48/04/16/341480416.db2.gz YHNILAAOLCDHTJ-APWZRJJASA-N 1 0 304.437 4.711 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000555527587 341484185 /nfs/dbraw/zinc/48/41/85/341484185.db2.gz HTCSSFTWRLHNOI-JSGCOSHPSA-N 1 0 323.267 4.865 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000556259694 341499755 /nfs/dbraw/zinc/49/97/55/341499755.db2.gz FQWYFKNXJYXACT-JQFCIGGWSA-N 1 0 310.828 4.808 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000565694548 341535289 /nfs/dbraw/zinc/53/52/89/341535289.db2.gz YNBRDZMWJZXGDJ-RBUKOAKNSA-N 1 0 312.457 4.503 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000565957765 341543718 /nfs/dbraw/zinc/54/37/18/341543718.db2.gz PEZQDVJIKSZUBT-UWJYYQICSA-N 1 0 322.452 4.594 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000154332325 341588199 /nfs/dbraw/zinc/58/81/99/341588199.db2.gz CPVLJLQPRCAGLV-IBGZPJMESA-N 1 0 310.416 4.835 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000154479252 341589831 /nfs/dbraw/zinc/58/98/31/341589831.db2.gz JONCUNNVBJNMKL-GOSISDBHSA-N 1 0 314.429 4.780 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)c1 ZINC000154576697 341591801 /nfs/dbraw/zinc/59/18/01/341591801.db2.gz BMDUAHYLLANXMC-QGZVFWFLSA-N 1 0 317.219 4.642 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000268808238 341604305 /nfs/dbraw/zinc/60/43/05/341604305.db2.gz MYZAPFTVAGSQEC-CHWSQXEVSA-N 1 0 316.351 4.571 20 30 DJEDRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC(C)(C)CCC#N ZINC000567646230 341624176 /nfs/dbraw/zinc/62/41/76/341624176.db2.gz JCIDWYXESPTWIF-GOSISDBHSA-N 1 0 309.457 4.773 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)cc1 ZINC000567856972 341637200 /nfs/dbraw/zinc/63/72/00/341637200.db2.gz WBJUCJQHCHENFL-LJQANCHMSA-N 1 0 310.828 4.573 20 30 DJEDRO CSc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CCC#N)CCC2 ZINC000567869914 341637914 /nfs/dbraw/zinc/63/79/14/341637914.db2.gz MKLUKDGGWKPRBE-KRWDZBQOSA-N 1 0 302.487 4.705 20 30 DJEDRO C[C@H]([NH2+]CCCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000314377341 341647099 /nfs/dbraw/zinc/64/70/99/341647099.db2.gz SJBWGYQDFQCADV-QMMMGPOBSA-N 1 0 317.248 4.734 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CC2 ZINC000573452809 341728927 /nfs/dbraw/zinc/72/89/27/341728927.db2.gz YHZDKAOAUVAGLV-FGZHOGPDSA-N 1 0 316.448 4.946 20 30 DJEDRO COc1ccccc1[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCCC1 ZINC000573588455 341732814 /nfs/dbraw/zinc/73/28/14/341732814.db2.gz RIEISURXYNZZGR-IBGZPJMESA-N 1 0 314.473 4.846 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccccc1N(C)C(C)C)c1ccco1 ZINC000576048822 341822644 /nfs/dbraw/zinc/82/26/44/341822644.db2.gz SBJZNUGNGWDGRP-SFHVURJKSA-N 1 0 312.457 4.921 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000174357997 341826344 /nfs/dbraw/zinc/82/63/44/341826344.db2.gz SPGYFQCHEWBQDW-STQMWFEESA-N 1 0 316.351 4.571 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000576602166 341854771 /nfs/dbraw/zinc/85/47/71/341854771.db2.gz XOAVVJHSYBXGSW-VJUNAUMWSA-N 1 0 322.374 4.623 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000577006100 341875361 /nfs/dbraw/zinc/87/53/61/341875361.db2.gz JXZQWHPZJGNBNC-LEWJYISDSA-N 1 0 320.411 4.742 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000176957814 341906871 /nfs/dbraw/zinc/90/68/71/341906871.db2.gz KBNMCKWMTKLJSS-SFHVURJKSA-N 1 0 314.429 4.780 20 30 DJEDRO CCCC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OC)cc1 ZINC000177695950 341924154 /nfs/dbraw/zinc/92/41/54/341924154.db2.gz CPRTYUVDJPLYOH-SFHVURJKSA-N 1 0 314.454 4.649 20 30 DJEDRO CC(C)(C)C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000061117203 517377251 /nfs/dbraw/zinc/37/72/51/517377251.db2.gz RRMVROCPTNESHE-IBGZPJMESA-N 1 0 310.416 4.964 20 30 DJEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnc2ccsc2c1 ZINC000272286837 130015063 /nfs/dbraw/zinc/01/50/63/130015063.db2.gz PIJQCDSEBNQJCE-CYBMUJFWSA-N 1 0 319.433 4.508 20 30 DJEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000570871793 332832741 /nfs/dbraw/zinc/83/27/41/332832741.db2.gz NIAGEWPJMXCYEW-JKSUJKDBSA-N 1 0 323.278 4.630 20 30 DJEDRO C=CCC[C@H](CC)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000570871791 332832780 /nfs/dbraw/zinc/83/27/80/332832780.db2.gz NIAGEWPJMXCYEW-HOTGVXAUSA-N 1 0 323.278 4.630 20 30 DJEDRO CC[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000570896500 332837102 /nfs/dbraw/zinc/83/71/02/332837102.db2.gz SPKDSZHXWKUXCJ-SFHVURJKSA-N 1 0 310.828 4.942 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000533384083 331513226 /nfs/dbraw/zinc/51/32/26/331513226.db2.gz FORCQOMIKKLPIK-NRFANRHFSA-N 1 0 320.436 4.588 20 30 DJEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000367896143 331545215 /nfs/dbraw/zinc/54/52/15/331545215.db2.gz ADVRTGJEIXJKQK-FRRDWIJNSA-N 1 0 310.894 4.813 20 30 DJEDRO CCc1ccc([C@@H](CC)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000556605660 331718812 /nfs/dbraw/zinc/71/88/12/331718812.db2.gz DLIQVALZIMXZEZ-HXUWFJFHSA-N 1 0 304.437 4.851 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000557483718 331793639 /nfs/dbraw/zinc/79/36/39/331793639.db2.gz RSKXUZGBQCGGKO-RTWAWAEBSA-N 1 0 302.421 4.521 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000557517108 331796609 /nfs/dbraw/zinc/79/66/09/331796609.db2.gz DONPAURCXGHPPC-LEWJYISDSA-N 1 0 304.437 4.923 20 30 DJEDRO CC(C)Sc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000558741025 331940532 /nfs/dbraw/zinc/94/05/32/331940532.db2.gz HHZYLAVHTCGWIU-OAHLLOKOSA-N 1 0 310.466 4.910 20 30 DJEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000409447358 332031913 /nfs/dbraw/zinc/03/19/13/332031913.db2.gz VAQXJBBTPJJYTD-HNNXBMFYSA-N 1 0 319.518 4.735 20 30 DJEDRO Cc1c([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000090664993 332092026 /nfs/dbraw/zinc/09/20/26/332092026.db2.gz ZJZSOHXQBGZODH-CRAIPNDOSA-N 1 0 323.396 4.599 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000090664806 332092032 /nfs/dbraw/zinc/09/20/32/332092032.db2.gz BSAJBYLLUXFAGV-CRAIPNDOSA-N 1 0 323.396 4.599 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000090664560 332092052 /nfs/dbraw/zinc/09/20/52/332092052.db2.gz AAOUCDGCGCWRQJ-FZKQIMNGSA-N 1 0 300.352 4.660 20 30 DJEDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000090664656 332092257 /nfs/dbraw/zinc/09/22/57/332092257.db2.gz YQNCVZXYQULQOO-BBRMVZONSA-N 1 0 313.470 4.710 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1F ZINC000090665904 332092439 /nfs/dbraw/zinc/09/24/39/332092439.db2.gz KICQEVSEISQSDN-KDOFPFPSSA-N 1 0 312.388 4.530 20 30 DJEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514276 332118166 /nfs/dbraw/zinc/11/81/66/332118166.db2.gz WMFCDNUXWDEZFQ-UXHICEINSA-N 1 0 302.421 4.558 20 30 DJEDRO C=CCCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000448021329 332182210 /nfs/dbraw/zinc/18/22/10/332182210.db2.gz IAPOWWVRNPDDHJ-CQSZACIVSA-N 1 0 300.471 4.659 20 30 DJEDRO C=C(C)CN(C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000181254226 332188394 /nfs/dbraw/zinc/18/83/94/332188394.db2.gz VZABEHDSKARJCV-ZDUSSCGKSA-N 1 0 304.821 4.872 20 30 DJEDRO C=CCCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000448024820 332190387 /nfs/dbraw/zinc/19/03/87/332190387.db2.gz AWEBYAVMUZIFRP-GFCCVEGCSA-N 1 0 304.434 4.874 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426062808 335098873 /nfs/dbraw/zinc/09/88/73/335098873.db2.gz YFKWMKGLWJGPDI-RDTXWAMCSA-N 1 0 300.833 4.573 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426062805 335098906 /nfs/dbraw/zinc/09/89/06/335098906.db2.gz YFKWMKGLWJGPDI-KBXCAEBGSA-N 1 0 300.833 4.573 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537969682 332245883 /nfs/dbraw/zinc/24/58/83/332245883.db2.gz LBDGXFFXUHVKTO-RYUDHWBXSA-N 1 0 304.434 4.873 20 30 DJEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)cc1 ZINC000152419203 332285428 /nfs/dbraw/zinc/28/54/28/332285428.db2.gz GMAMGVGVUTXFKX-HUUCEWRRSA-N 1 0 316.832 4.625 20 30 DJEDRO CC(C)(C)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000560070170 332308701 /nfs/dbraw/zinc/30/87/01/332308701.db2.gz DHJJKZXNQGQELM-UHFFFAOYSA-N 1 0 304.437 4.635 20 30 DJEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000583351949 332347041 /nfs/dbraw/zinc/34/70/41/332347041.db2.gz YTONNMRNZRBSFS-YWZLYKJASA-N 1 0 320.436 4.684 20 30 DJEDRO C[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000560563733 332361455 /nfs/dbraw/zinc/36/14/55/332361455.db2.gz FHBHHFRSBIVMMD-WIYYLYMNSA-N 1 0 306.453 4.890 20 30 DJEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCCCC#N ZINC000119405613 332371222 /nfs/dbraw/zinc/37/12/22/332371222.db2.gz SGHROUCHIKDQOU-HNNXBMFYSA-N 1 0 313.470 4.805 20 30 DJEDRO CC(C)(C)C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000323165683 332376139 /nfs/dbraw/zinc/37/61/39/332376139.db2.gz UKUUIHDZDWMHJT-IBGZPJMESA-N 1 0 310.416 4.964 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000574884810 332446021 /nfs/dbraw/zinc/44/60/21/332446021.db2.gz GXJSWKAMGZVECS-IAGOWNOFSA-N 1 0 316.857 4.699 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000128150100 332491169 /nfs/dbraw/zinc/49/11/69/332491169.db2.gz WCEVBJFKEQVECO-XHSDSOJGSA-N 1 0 310.363 4.742 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000562042531 332536896 /nfs/dbraw/zinc/53/68/96/332536896.db2.gz CEYNYFCUXXWPJH-HNNXBMFYSA-N 1 0 311.256 4.900 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000151395411 332576003 /nfs/dbraw/zinc/57/60/03/332576003.db2.gz LKVXBUKDVYYWJW-NSHDSACASA-N 1 0 305.208 4.716 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cc2cccc(F)c2o1 ZINC000444692514 332754374 /nfs/dbraw/zinc/75/43/74/332754374.db2.gz MMLOIDNXQGGBOY-ZDUSSCGKSA-N 1 0 302.393 4.943 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000174811085 333090903 /nfs/dbraw/zinc/09/09/03/333090903.db2.gz HYCZSJFONLNOJA-UHFFFAOYSA-N 1 0 302.443 4.673 20 30 DJEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Sc2ccccc2)cc1 ZINC000462740550 333104024 /nfs/dbraw/zinc/10/40/24/333104024.db2.gz IDMBXHQJEVFFMK-INIZCTEOSA-N 1 0 313.466 4.522 20 30 DJEDRO N#CCCCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000180429197 333161919 /nfs/dbraw/zinc/16/19/19/333161919.db2.gz GQSOVAFQSHTTJG-SFHVURJKSA-N 1 0 316.807 4.852 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1cc2cc(Br)ccc2o1 ZINC000181683316 333171560 /nfs/dbraw/zinc/17/15/60/333171560.db2.gz ZSNGLIULWIRTLT-LLVKDONJSA-N 1 0 321.218 4.540 20 30 DJEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685251 333171588 /nfs/dbraw/zinc/17/15/88/333171588.db2.gz BCOKTFZEWKCIFF-KKSFZXQISA-N 1 0 320.436 4.781 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(F)c1F ZINC000181959866 333173845 /nfs/dbraw/zinc/17/38/45/333173845.db2.gz ZYBQCSLSUFKDOG-ZDUSSCGKSA-N 1 0 314.379 4.617 20 30 DJEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)c2ccccc21 ZINC000184923964 333202718 /nfs/dbraw/zinc/20/27/18/333202718.db2.gz LNHFRGWQYSBNNE-UONOGXRCSA-N 1 0 311.816 4.587 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 ZINC000185817734 333214451 /nfs/dbraw/zinc/21/44/51/333214451.db2.gz NVALAVZKTPXKLY-OFQRWUPVSA-N 1 0 311.454 4.543 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccco1 ZINC000514086363 333252415 /nfs/dbraw/zinc/25/24/15/333252415.db2.gz AAHKZMKSABMDSF-OAHLLOKOSA-N 1 0 307.340 4.678 20 30 DJEDRO CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497621110 333270730 /nfs/dbraw/zinc/27/07/30/333270730.db2.gz SDEHIFHHPUJGAQ-MBOZVWFJSA-N 1 0 314.473 4.536 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000191460908 333280229 /nfs/dbraw/zinc/28/02/29/333280229.db2.gz SZQAJAMOUHFOFR-NRFANRHFSA-N 1 0 320.436 4.610 20 30 DJEDRO CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000514089437 333297497 /nfs/dbraw/zinc/29/74/97/333297497.db2.gz QBQRJFNMTYHUDU-UHFFFAOYSA-N 1 0 300.405 4.734 20 30 DJEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]CC(C)(C)CCC#N ZINC000531789748 333559435 /nfs/dbraw/zinc/55/94/35/333559435.db2.gz XXGWFPGKNLCTFI-INIZCTEOSA-N 1 0 302.462 4.592 20 30 DJEDRO C[C@@H](CCC#N)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000411397464 333664735 /nfs/dbraw/zinc/66/47/35/333664735.db2.gz HLHVOHKYMAGNKV-ZDUSSCGKSA-N 1 0 308.878 4.589 20 30 DJEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(SCC(F)F)cc1 ZINC000414166590 333916261 /nfs/dbraw/zinc/91/62/61/333916261.db2.gz NVIASSGPYRYZPG-GFCCVEGCSA-N 1 0 312.429 4.634 20 30 DJEDRO CC(C)(CC#N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000414166790 333916555 /nfs/dbraw/zinc/91/65/55/333916555.db2.gz OEUWGHDNTLJCIX-HNNXBMFYSA-N 1 0 310.363 4.686 20 30 DJEDRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC(C)(C)CC#N)cs2)cs1 ZINC000414168402 333917171 /nfs/dbraw/zinc/91/71/71/333917171.db2.gz QQDVNNYFBYYFBI-LLVKDONJSA-N 1 0 319.499 4.771 20 30 DJEDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000271611484 334024747 /nfs/dbraw/zinc/02/47/47/334024747.db2.gz BOPIZCMTJLVEAG-INIZCTEOSA-N 1 0 322.452 4.656 20 30 DJEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2ccccc2o1 ZINC000272335503 334033433 /nfs/dbraw/zinc/03/34/33/334033433.db2.gz YURLMZAHWOWLHY-AWEZNQCLSA-N 1 0 302.377 4.644 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1C ZINC000273001054 334042007 /nfs/dbraw/zinc/04/20/07/334042007.db2.gz XQZFRUAFKUQNNI-APWZRJJASA-N 1 0 308.425 4.699 20 30 DJEDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755675 334100677 /nfs/dbraw/zinc/10/06/77/334100677.db2.gz OCLZURYOMHWDCH-NHCUHLMSSA-N 1 0 320.436 4.563 20 30 DJEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000343586162 335179735 /nfs/dbraw/zinc/17/97/35/335179735.db2.gz PKEQCCQEVZTNNP-OAHLLOKOSA-N 1 0 308.347 4.606 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721051 334191362 /nfs/dbraw/zinc/19/13/62/334191362.db2.gz APXOAECJSUAKSQ-UKRRQHHQSA-N 1 0 320.889 4.589 20 30 DJEDRO CCc1cccc2c(C3CC[NH+]([C@@H]4CC[C@@H](C#N)C4)CC3)c[nH]c21 ZINC000293384185 334197776 /nfs/dbraw/zinc/19/77/76/334197776.db2.gz GLYHHBZSQUOZLT-CRAIPNDOSA-N 1 0 321.468 4.602 20 30 DJEDRO COc1ccccc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340431064 334198457 /nfs/dbraw/zinc/19/84/57/334198457.db2.gz JITLGHHXKGPPJF-LPHOPBHVSA-N 1 0 308.425 4.781 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511822 334198547 /nfs/dbraw/zinc/19/85/47/334198547.db2.gz IBHIDYVDYHJYBK-FRFSOERESA-N 1 0 322.374 4.577 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000293761588 334201920 /nfs/dbraw/zinc/20/19/20/334201920.db2.gz JZBGXEKOFTZNRU-DYVFJYSZSA-N 1 0 322.374 4.577 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438767 334202092 /nfs/dbraw/zinc/20/20/92/334202092.db2.gz ALNZRQKOEWPIHM-PMACEKPBSA-N 1 0 308.400 4.838 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438770 334202145 /nfs/dbraw/zinc/20/21/45/334202145.db2.gz ALNZRQKOEWPIHM-UXHICEINSA-N 1 0 308.400 4.838 20 30 DJEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340446410 334203384 /nfs/dbraw/zinc/20/33/84/334203384.db2.gz OENJXRGDXBUJMC-UXHICEINSA-N 1 0 320.436 4.707 20 30 DJEDRO Cc1c([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447294 334204305 /nfs/dbraw/zinc/20/43/05/334204305.db2.gz PMKODQIDKCXCPD-OXQOHEQNSA-N 1 0 324.472 4.858 20 30 DJEDRO Cc1c([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447281 334204370 /nfs/dbraw/zinc/20/43/70/334204370.db2.gz PMKODQIDKCXCPD-OXJNMPFZSA-N 1 0 324.472 4.858 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(SCC(F)F)cc1 ZINC000296504349 334234630 /nfs/dbraw/zinc/23/46/30/334234630.db2.gz PEDPTJWUBJWPPQ-YDHLFZDLSA-N 1 0 324.440 4.777 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000296538036 334234926 /nfs/dbraw/zinc/23/49/26/334234926.db2.gz QVSNFAITJSJAPL-RYGJVYDSSA-N 1 0 308.400 4.587 20 30 DJEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951130 334309165 /nfs/dbraw/zinc/30/91/65/334309165.db2.gz AKORUZJWAQFLBJ-QRWLVFNGSA-N 1 0 308.425 4.759 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 ZINC000341759116 334477723 /nfs/dbraw/zinc/47/77/23/334477723.db2.gz DMTCTBIONMIAKK-NHCUHLMSSA-N 1 0 304.437 4.985 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341897198 334493369 /nfs/dbraw/zinc/49/33/69/334493369.db2.gz QMICHDONQJNZCM-RTWAWAEBSA-N 1 0 320.411 4.742 20 30 DJEDRO C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000342801776 334573079 /nfs/dbraw/zinc/57/30/79/334573079.db2.gz YKGOMRMFBMHXJE-FOIQADDNSA-N 1 0 302.421 4.776 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000188066803 334635406 /nfs/dbraw/zinc/63/54/06/334635406.db2.gz OODVAAYGODQLJX-HUUCEWRRSA-N 1 0 320.392 4.747 20 30 DJEDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@H](c2ccccc2)C1 ZINC000441351411 334704277 /nfs/dbraw/zinc/70/42/77/334704277.db2.gz BYHQHSBRBNDLHE-HIPSDOJCSA-N 1 0 310.485 4.878 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417313169 334705313 /nfs/dbraw/zinc/70/53/13/334705313.db2.gz VAYZWEXFUSYHPW-OWLYRPNTSA-N 1 0 310.466 4.875 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000417371001 334764587 /nfs/dbraw/zinc/76/45/87/334764587.db2.gz SYOGJBVHMAPZIC-SFTDATJTSA-N 1 0 315.420 4.548 20 30 DJEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2ccc(C#N)c(C)c2)c1C ZINC000443978408 338465125 /nfs/dbraw/zinc/46/51/25/338465125.db2.gz JXPLPYVTIHOGDE-UHFFFAOYSA-N 1 0 317.436 4.563 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000444668084 338480657 /nfs/dbraw/zinc/48/06/57/338480657.db2.gz DKGAYUIEAMINRO-HNNXBMFYSA-N 1 0 312.379 4.990 20 30 DJEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Br)c1 ZINC000348225594 335563502 /nfs/dbraw/zinc/56/35/02/335563502.db2.gz KHBNQWRJDRVUBK-OAHLLOKOSA-N 1 0 323.278 4.820 20 30 DJEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000053102579 335833614 /nfs/dbraw/zinc/83/36/14/335833614.db2.gz KEHJJOUCXHUVLX-UHFFFAOYSA-N 1 0 322.795 4.761 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)CC2 ZINC000519794922 335897329 /nfs/dbraw/zinc/89/73/29/335897329.db2.gz QJPVXRGYZLAFSK-LEWJYISDSA-N 1 0 302.421 4.677 20 30 DJEDRO N#Cc1csc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000532479764 336251508 /nfs/dbraw/zinc/25/15/08/336251508.db2.gz LMDRVZFHGSUZRT-UHFFFAOYSA-N 1 0 316.857 4.832 20 30 DJEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc21 ZINC000532570053 336256069 /nfs/dbraw/zinc/25/60/69/336256069.db2.gz YEHROBXEFZYVPS-IBGZPJMESA-N 1 0 308.400 4.600 20 30 DJEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000192759180 336260771 /nfs/dbraw/zinc/26/07/71/336260771.db2.gz KCVRFLXHCXNEOE-HZPDHXFCSA-N 1 0 308.425 4.757 20 30 DJEDRO CCCCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000324825634 336260785 /nfs/dbraw/zinc/26/07/85/336260785.db2.gz AUOUKNTZTRDDDI-QGZVFWFLSA-N 1 0 322.452 4.978 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000526984418 336277471 /nfs/dbraw/zinc/27/74/71/336277471.db2.gz SUEPIAUCCRMWSA-QGZVFWFLSA-N 1 0 300.352 4.759 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192933461 336285099 /nfs/dbraw/zinc/28/50/99/336285099.db2.gz OAYUZGXPBXBELM-ZIAGYGMSSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000192936032 336285271 /nfs/dbraw/zinc/28/52/71/336285271.db2.gz RBCLSWACFCNCQS-KGLIPLIRSA-N 1 0 314.816 4.654 20 30 DJEDRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980150 336286471 /nfs/dbraw/zinc/28/64/71/336286471.db2.gz WQKWGJCMFBGVDY-JKSUJKDBSA-N 1 0 308.425 4.563 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988826 336286597 /nfs/dbraw/zinc/28/65/97/336286597.db2.gz LVLBGLZCYIDHEX-SJKOYZFVSA-N 1 0 312.413 4.585 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000193002534 336286737 /nfs/dbraw/zinc/28/67/37/336286737.db2.gz UUIQRDBLAANWCE-STQMWFEESA-N 1 0 318.342 4.989 20 30 DJEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000514105918 336357853 /nfs/dbraw/zinc/35/78/53/336357853.db2.gz UNGZPNUFQJYCPG-FQEVSTJZSA-N 1 0 324.468 4.541 20 30 DJEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000103345362 336376430 /nfs/dbraw/zinc/37/64/30/336376430.db2.gz KWYWPQQIXGZUCC-OAHLLOKOSA-N 1 0 310.466 4.910 20 30 DJEDRO N#CCCCC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000353571816 336425881 /nfs/dbraw/zinc/42/58/81/336425881.db2.gz JAQONVPXCCUWEI-UHFFFAOYSA-N 1 0 310.363 4.579 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1sccc1Cl)c1ccccc1 ZINC000353903680 336446988 /nfs/dbraw/zinc/44/69/88/336446988.db2.gz XGGUWTQHKADMOI-OAHLLOKOSA-N 1 0 304.846 4.926 20 30 DJEDRO CC(C)c1ncc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000353918420 336448212 /nfs/dbraw/zinc/44/82/12/336448212.db2.gz YDWIQASYLYGQDM-KRWDZBQOSA-N 1 0 313.470 4.791 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357788465 336598571 /nfs/dbraw/zinc/59/85/71/336598571.db2.gz LTZLEUXLQPGOKY-OAQYLSRUSA-N 1 0 302.421 4.603 20 30 DJEDRO C[C@@H]1[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000361895380 336777328 /nfs/dbraw/zinc/77/73/28/336777328.db2.gz WUNWHECDVMQFNB-NASSWSRMSA-N 1 0 304.437 4.813 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000362277530 336790579 /nfs/dbraw/zinc/79/05/79/336790579.db2.gz DIFMTYHBZOFUST-CVEARBPZSA-N 1 0 310.363 4.625 20 30 DJEDRO C=C(C)[C@@H]([NH2+]CCCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000481610234 339607577 /nfs/dbraw/zinc/60/75/77/339607577.db2.gz AEJRNQAZSVXDQL-CQSZACIVSA-N 1 0 307.306 4.904 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000418139165 336896370 /nfs/dbraw/zinc/89/63/70/336896370.db2.gz DPPUEUUISRYNSA-IBGZPJMESA-N 1 0 320.367 4.611 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000375883125 337022025 /nfs/dbraw/zinc/02/20/25/337022025.db2.gz ARQHTFCTLUEXBD-DZGCQCFKSA-N 1 0 302.443 4.719 20 30 DJEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000582632724 337116435 /nfs/dbraw/zinc/11/64/35/337116435.db2.gz CRSUFVRZEOPEFP-LEWJYISDSA-N 1 0 323.484 4.646 20 30 DJEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2cccnc2)cc1 ZINC000181282800 337180892 /nfs/dbraw/zinc/18/08/92/337180892.db2.gz YIJACBCOWKISMW-INIZCTEOSA-N 1 0 307.441 4.729 20 30 DJEDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000582815354 337190544 /nfs/dbraw/zinc/19/05/44/337190544.db2.gz PCCYRVVUHCIYCT-NJYVYQBISA-N 1 0 320.436 4.519 20 30 DJEDRO CC[C@H]([NH2+]Cc1cc2cc(C)ccc2o1)c1ccc(C#N)cc1 ZINC000584481097 337348883 /nfs/dbraw/zinc/34/88/83/337348883.db2.gz AKOVWUYGYKEZNZ-IBGZPJMESA-N 1 0 304.393 4.854 20 30 DJEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000584569789 337363631 /nfs/dbraw/zinc/36/36/31/337363631.db2.gz UHZBVOUTISORQQ-WOJBJXKFSA-N 1 0 320.436 4.685 20 30 DJEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000421824969 337646407 /nfs/dbraw/zinc/64/64/07/337646407.db2.gz LDTIEVNQQJPAAF-QWHCGFSZSA-N 1 0 314.816 4.632 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000421879660 337658359 /nfs/dbraw/zinc/65/83/59/337658359.db2.gz PJLSVPADDFJOBB-ROUUACIJSA-N 1 0 314.379 4.995 20 30 DJEDRO C=CCCCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000274615914 337660428 /nfs/dbraw/zinc/66/04/28/337660428.db2.gz VDHGEBQORREHHR-CYBMUJFWSA-N 1 0 301.459 4.520 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)c(F)c1 ZINC000527990804 337778226 /nfs/dbraw/zinc/77/82/26/337778226.db2.gz BIBMTOPAFVYGND-ZMZPIMSZSA-N 1 0 314.791 4.689 20 30 DJEDRO Cc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000536894963 337845306 /nfs/dbraw/zinc/84/53/06/337845306.db2.gz WUXBBJRXNSQAPW-UHFFFAOYSA-N 1 0 312.416 4.824 20 30 DJEDRO N#CCCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000537130961 337894459 /nfs/dbraw/zinc/89/44/59/337894459.db2.gz IMHPPUMGANGLLY-NHCUHLMSSA-N 1 0 304.437 4.741 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000121840361 337901819 /nfs/dbraw/zinc/90/18/19/337901819.db2.gz SASYDKQTCLPVFI-QWHCGFSZSA-N 1 0 318.342 4.989 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000537155503 337903278 /nfs/dbraw/zinc/90/32/78/337903278.db2.gz PPQKSLIILMUDJQ-LJQANCHMSA-N 1 0 310.416 4.883 20 30 DJEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000537295962 337929063 /nfs/dbraw/zinc/92/90/63/337929063.db2.gz PNHCKCJYGSHTDF-IAGOWNOFSA-N 1 0 322.452 4.895 20 30 DJEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406669 337933602 /nfs/dbraw/zinc/93/36/02/337933602.db2.gz JPPYPGVXGILCRP-VLIAUNLRSA-N 1 0 308.400 4.889 20 30 DJEDRO CC1(C)CC[C@@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384445 337934401 /nfs/dbraw/zinc/93/44/01/337934401.db2.gz RQGANHJQEUYBCJ-YLJYHZDGSA-N 1 0 316.448 4.948 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc2ccccc21 ZINC000428308231 338046658 /nfs/dbraw/zinc/04/66/58/338046658.db2.gz YPCSFWXIPYTDCW-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438952 338081080 /nfs/dbraw/zinc/08/10/80/338081080.db2.gz ZOEQPVMTHOMERD-CXAGYDPISA-N 1 0 309.400 4.519 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000430726588 338112419 /nfs/dbraw/zinc/11/24/19/338112419.db2.gz VNXUZMCKEDBABE-AWEZNQCLSA-N 1 0 304.393 4.930 20 30 DJEDRO N#CCC1(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000430737601 338112765 /nfs/dbraw/zinc/11/27/65/338112765.db2.gz JDHTVOOQXGMMRY-OAHLLOKOSA-N 1 0 309.240 4.728 20 30 DJEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430740863 338112989 /nfs/dbraw/zinc/11/29/89/338112989.db2.gz QSVIFNKWDIZJEI-HNNXBMFYSA-N 1 0 310.363 4.830 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000430742289 338113126 /nfs/dbraw/zinc/11/31/26/338113126.db2.gz LOGVVTMYRXDZCP-SECBINFHSA-N 1 0 317.647 4.991 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000430744516 338113173 /nfs/dbraw/zinc/11/31/73/338113173.db2.gz NYMDJTOJYRQUBB-CYBMUJFWSA-N 1 0 314.429 4.899 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000430757251 338113949 /nfs/dbraw/zinc/11/39/49/338113949.db2.gz VJBKDRZYBFHHGJ-QGZVFWFLSA-N 1 0 320.436 4.610 20 30 DJEDRO CCc1ccc(CC[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000433008820 338176100 /nfs/dbraw/zinc/17/61/00/338176100.db2.gz FDJDSWVKXUESRY-OAQYLSRUSA-N 1 0 306.453 4.816 20 30 DJEDRO Cc1ccccc1CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433010546 338176171 /nfs/dbraw/zinc/17/61/71/338176171.db2.gz CJMWHLXSKGEZAI-NRFANRHFSA-N 1 0 306.453 4.952 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000433020720 338176553 /nfs/dbraw/zinc/17/65/53/338176553.db2.gz DFDPMEDVGJTMCA-XMSQKQJNSA-N 1 0 318.464 4.816 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000433026800 338177105 /nfs/dbraw/zinc/17/71/05/338177105.db2.gz QZCADTOWKPRWQU-MRXNPFEDSA-N 1 0 321.449 4.821 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1 ZINC000433028991 338177177 /nfs/dbraw/zinc/17/71/77/338177177.db2.gz QTBJJZVDJSOFBO-HXUWFJFHSA-N 1 0 322.839 4.716 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000433028495 338177239 /nfs/dbraw/zinc/17/72/39/338177239.db2.gz OSYOBAAEBSMCAS-LJQANCHMSA-N 1 0 323.827 4.736 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCSc1ccccc1)c1ccccc1 ZINC000433039784 338177786 /nfs/dbraw/zinc/17/77/86/338177786.db2.gz PLONGBJTLFGANE-LJQANCHMSA-N 1 0 310.466 4.803 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000435666619 338244621 /nfs/dbraw/zinc/24/46/21/338244621.db2.gz ABTSGEFLDOOEPW-RBOXIYTFSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000435666617 338244642 /nfs/dbraw/zinc/24/46/42/338244642.db2.gz ABTSGEFLDOOEPW-GHJWDPDVSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000435664785 338244652 /nfs/dbraw/zinc/24/46/52/338244652.db2.gz NVGZRNUUDGLBBS-MKBNYLNASA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000435729954 338246598 /nfs/dbraw/zinc/24/65/98/338246598.db2.gz CBCKXFCCMMFKQJ-OSTWSGHESA-N 1 0 313.485 4.530 20 30 DJEDRO CC[C@H]([NH2+]CCc1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000436288258 338266265 /nfs/dbraw/zinc/26/62/65/338266265.db2.gz VLCJERZYSPDMOX-IBGZPJMESA-N 1 0 310.466 4.564 20 30 DJEDRO CC[C@@H]([NH2+]CCc1ccc(SC)cc1)c1ccc(C#N)cc1 ZINC000436288317 338266356 /nfs/dbraw/zinc/26/63/56/338266356.db2.gz VLCJERZYSPDMOX-LJQANCHMSA-N 1 0 310.466 4.564 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000436302952 338267719 /nfs/dbraw/zinc/26/77/19/338267719.db2.gz BBGTZGPVUIZTPK-VDGAXYAQSA-N 1 0 313.441 4.701 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000436308934 338268243 /nfs/dbraw/zinc/26/82/43/338268243.db2.gz RDVDYCPOUHVQAP-VFVRVIDISA-N 1 0 319.832 4.718 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c(Cl)c1 ZINC000439430098 338369101 /nfs/dbraw/zinc/36/91/01/338369101.db2.gz HSPSYINQAWGAMD-IBGZPJMESA-N 1 0 310.828 4.843 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)c(Cl)c1 ZINC000439429968 338369115 /nfs/dbraw/zinc/36/91/15/338369115.db2.gz JVCIYVKIUVVZNL-INIZCTEOSA-N 1 0 302.830 4.514 20 30 DJEDRO N#Cc1ccc(F)c(C[NH2+]C2(c3ccccc3)CCCCC2)c1 ZINC000440915593 338399921 /nfs/dbraw/zinc/39/99/21/338399921.db2.gz LTVVSLQXGSAZJI-UHFFFAOYSA-N 1 0 308.400 4.647 20 30 DJEDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1CCC(C#N)CC1 ZINC000441378134 338411032 /nfs/dbraw/zinc/41/10/32/338411032.db2.gz CUFNQQSUXIEEHA-UVTDQMKNSA-N 1 0 302.849 4.663 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777741 338430564 /nfs/dbraw/zinc/43/05/64/338430564.db2.gz AAZFYUTWJSHOTL-NIKGAXFTSA-N 1 0 310.828 4.711 20 30 DJEDRO COc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)c2ccccc12 ZINC000442854760 338434943 /nfs/dbraw/zinc/43/49/43/338434943.db2.gz LISKXLNMJQSEBY-GTPINHCMSA-N 1 0 322.452 4.829 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442856611 338435227 /nfs/dbraw/zinc/43/52/27/338435227.db2.gz RDACUCCUJKPGNV-FVQBIDKESA-N 1 0 310.363 4.623 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000442860390 338435535 /nfs/dbraw/zinc/43/55/35/338435535.db2.gz WKTFFAZXTZELDK-PPUFBPAQSA-N 1 0 323.267 4.900 20 30 DJEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1CCC(C#N)CC1 ZINC000442861878 338435773 /nfs/dbraw/zinc/43/57/73/338435773.db2.gz ZCDHPTGVQGLCDU-IYXRBSQSSA-N 1 0 310.894 4.642 20 30 DJEDRO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000442867225 338436206 /nfs/dbraw/zinc/43/62/06/338436206.db2.gz KVIFFIRLMYYFLL-JRSKDTKFSA-N 1 0 306.400 4.581 20 30 DJEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442868895 338436457 /nfs/dbraw/zinc/43/64/57/338436457.db2.gz ABYKIAUNFRJLRI-GRTSSRMGSA-N 1 0 305.491 4.556 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447512813 338553323 /nfs/dbraw/zinc/55/33/23/338553323.db2.gz QVWDELUXCRXTFK-SCLBCKFNSA-N 1 0 312.388 4.508 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000447538121 338555130 /nfs/dbraw/zinc/55/51/30/338555130.db2.gz ALSDETQARZROAQ-WAOWUJCRSA-N 1 0 318.464 4.879 20 30 DJEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000449091394 338592429 /nfs/dbraw/zinc/59/24/29/338592429.db2.gz QHUHSIQIDGCVAE-UHFFFAOYSA-N 1 0 312.457 4.570 20 30 DJEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]C2CCC(C)(C#N)CC2)c1C ZINC000449131527 338595970 /nfs/dbraw/zinc/59/59/70/338595970.db2.gz NIRBEJDGHJYYJC-UHFFFAOYSA-N 1 0 309.457 4.655 20 30 DJEDRO CC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1Cl ZINC000449191246 338601043 /nfs/dbraw/zinc/60/10/43/338601043.db2.gz WXPOFVXPQHRDSF-CSLYMUCUSA-N 1 0 320.864 4.559 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449446079 338624651 /nfs/dbraw/zinc/62/46/51/338624651.db2.gz NZDHNOWDTRNVOW-UNQWWWNPSA-N 1 0 302.849 4.648 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000162662956 338650691 /nfs/dbraw/zinc/65/06/91/338650691.db2.gz AZSOGLZIDGJCDJ-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000449771481 338651519 /nfs/dbraw/zinc/65/15/19/338651519.db2.gz JVFPQQQBJFIEGN-DOTOQJQBSA-N 1 0 304.865 4.896 20 30 DJEDRO CC[C@@H]([NH2+]C1CCC(CSC)CC1)c1ccc(C#N)cc1 ZINC000453268810 338816574 /nfs/dbraw/zinc/81/65/74/338816574.db2.gz KTZBHFKXBKYMRR-VMWRSERWSA-N 1 0 302.487 4.521 20 30 DJEDRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453286903 338818914 /nfs/dbraw/zinc/81/89/14/338818914.db2.gz FDPWBMYAGAJRQB-IKGGRYGDSA-N 1 0 323.484 4.896 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000453289778 338819332 /nfs/dbraw/zinc/81/93/32/338819332.db2.gz IXCBMMXWKGZWJQ-JCGIZDLHSA-N 1 0 302.849 4.853 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000453292635 338819775 /nfs/dbraw/zinc/81/97/75/338819775.db2.gz NZOVNSCXCYKWCV-URLQWDBASA-N 1 0 300.421 4.729 20 30 DJEDRO CCSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453391979 338836816 /nfs/dbraw/zinc/83/68/16/338836816.db2.gz TWHSUTALBGUDAK-ZDUSSCGKSA-N 1 0 314.429 4.660 20 30 DJEDRO N#CCCCC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459406794 339027420 /nfs/dbraw/zinc/02/74/20/339027420.db2.gz LMFVTDPERHVKOV-YFHOEESVSA-N 1 0 320.436 4.562 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000461394224 339062811 /nfs/dbraw/zinc/06/28/11/339062811.db2.gz HTVDVQZKRLDHHQ-UHFFFAOYSA-N 1 0 314.379 4.906 20 30 DJEDRO C=CC[N@@H+](Cc1ccc(C(F)F)cc1)Cc1cccc(C#N)c1 ZINC000461397754 339063160 /nfs/dbraw/zinc/06/31/60/339063160.db2.gz HUYQCOARMKNJTR-UHFFFAOYSA-N 1 0 312.363 4.684 20 30 DJEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463233794 339110766 /nfs/dbraw/zinc/11/07/66/339110766.db2.gz FEFQJFAEWCDFFQ-FRRDWIJNSA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463237455 339111011 /nfs/dbraw/zinc/11/10/11/339111011.db2.gz VTAWRVOSAHYFTL-BAGYTPMASA-N 1 0 318.464 4.685 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000463241820 339111398 /nfs/dbraw/zinc/11/13/98/339111398.db2.gz DLTNAFXYVNGIKF-LXTVHRRPSA-N 1 0 324.390 4.869 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000463278891 339112886 /nfs/dbraw/zinc/11/28/86/339112886.db2.gz DTAWOHDRSAKKJO-NQIIRXRSSA-N 1 0 318.464 4.881 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000463281386 339113073 /nfs/dbraw/zinc/11/30/73/339113073.db2.gz HGLQYOBAUFWCTM-MDASCCDHSA-N 1 0 300.421 4.729 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463280970 339113133 /nfs/dbraw/zinc/11/31/33/339113133.db2.gz FMJKCHHBMWQCPM-CJNGLKHVSA-N 1 0 324.390 4.655 20 30 DJEDRO CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000463280640 339113161 /nfs/dbraw/zinc/11/31/61/339113161.db2.gz FEXQGEMZOZUAEP-WDYCEAGBSA-N 1 0 300.446 4.598 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288816 339113581 /nfs/dbraw/zinc/11/35/81/339113581.db2.gz QDGMLEPOCUFASN-JRPNMDOOSA-N 1 0 309.240 4.653 20 30 DJEDRO COc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)c1 ZINC000463304254 339114253 /nfs/dbraw/zinc/11/42/53/339114253.db2.gz VJWBAFFFECZROL-FXAWDEMLSA-N 1 0 320.436 4.534 20 30 DJEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000463904054 339128577 /nfs/dbraw/zinc/12/85/77/339128577.db2.gz HHTPJKYQLUUJST-QRWLVFNGSA-N 1 0 310.416 4.615 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCSCC)cc1Cl ZINC000464050951 339131917 /nfs/dbraw/zinc/13/19/17/339131917.db2.gz TZLNZVSHCLIPHL-CYBMUJFWSA-N 1 0 313.894 4.526 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCSCC)cc1Cl ZINC000464050961 339131962 /nfs/dbraw/zinc/13/19/62/339131962.db2.gz TZLNZVSHCLIPHL-ZDUSSCGKSA-N 1 0 313.894 4.526 20 30 DJEDRO N#CCSCCC[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000466727934 339214398 /nfs/dbraw/zinc/21/43/98/339214398.db2.gz GJOWCYMTGICNGR-UHFFFAOYSA-N 1 0 324.493 4.666 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000466902573 339220650 /nfs/dbraw/zinc/22/06/50/339220650.db2.gz IBLFCHOFHGQPAE-HNNXBMFYSA-N 1 0 307.393 4.848 20 30 DJEDRO C=CCC[N@@H+](C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000467298317 339230259 /nfs/dbraw/zinc/23/02/59/339230259.db2.gz MZQMYZNTMPLZRQ-CYBMUJFWSA-N 1 0 304.821 4.872 20 30 DJEDRO C=C(C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1)c1ccccc1 ZINC000467338471 339232407 /nfs/dbraw/zinc/23/24/07/339232407.db2.gz ZSBNOHHAFWOMKV-UXHICEINSA-N 1 0 306.453 4.719 20 30 DJEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000467417283 339237485 /nfs/dbraw/zinc/23/74/85/339237485.db2.gz KGLIHRNBYLNGTD-RDJZCZTQSA-N 1 0 317.477 4.566 20 30 DJEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000467436316 339238398 /nfs/dbraw/zinc/23/83/98/339238398.db2.gz OGEHSZCPKWECEG-CQSZACIVSA-N 1 0 304.846 4.557 20 30 DJEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467448056 339239245 /nfs/dbraw/zinc/23/92/45/339239245.db2.gz CLYWIRZBQYGNLT-GJZGRUSLSA-N 1 0 312.844 4.536 20 30 DJEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000467448051 339239358 /nfs/dbraw/zinc/23/93/58/339239358.db2.gz CLYWIRZBQYGNLT-CABCVRRESA-N 1 0 312.844 4.536 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000468836057 339272224 /nfs/dbraw/zinc/27/22/24/339272224.db2.gz FRHALBRAZZFJQT-GFCCVEGCSA-N 1 0 307.846 4.817 20 30 DJEDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000469759858 339298088 /nfs/dbraw/zinc/29/80/88/339298088.db2.gz DYXUFOYAIVHGBV-MRXNPFEDSA-N 1 0 322.452 4.691 20 30 DJEDRO Cc1cccc(C([NH2+][C@H]2CC[C@@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597780 339348788 /nfs/dbraw/zinc/34/87/88/339348788.db2.gz HGYUOQLEMSHBFC-XLIONFOSSA-N 1 0 304.437 4.675 20 30 DJEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471599459 339348966 /nfs/dbraw/zinc/34/89/66/339348966.db2.gz SJDVKEZYCUEKHL-UNEWFSDZSA-N 1 0 320.864 4.718 20 30 DJEDRO Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000471603284 339349122 /nfs/dbraw/zinc/34/91/22/339349122.db2.gz SELSOKFJMMDJSX-HOTGVXAUSA-N 1 0 310.466 4.698 20 30 DJEDRO CC(C)(C#N)CCC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000471717182 339352144 /nfs/dbraw/zinc/35/21/44/339352144.db2.gz YGULVZCKPJSNHL-NRFANRHFSA-N 1 0 318.464 4.964 20 30 DJEDRO CCN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000472126186 339363641 /nfs/dbraw/zinc/36/36/41/339363641.db2.gz MNRTUUIIJBUDHI-OALUTQOASA-N 1 0 319.452 4.626 20 30 DJEDRO CCN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000472126185 339363648 /nfs/dbraw/zinc/36/36/48/339363648.db2.gz MNRTUUIIJBUDHI-MOPGFXCFSA-N 1 0 319.452 4.626 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155459 339364656 /nfs/dbraw/zinc/36/46/56/339364656.db2.gz LVWSVIWZJHWZCS-SJORKVTESA-N 1 0 308.450 4.620 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000472231418 339366725 /nfs/dbraw/zinc/36/67/25/339366725.db2.gz JKAHKGCMVXTKIV-NRFANRHFSA-N 1 0 318.464 4.964 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000472255931 339367846 /nfs/dbraw/zinc/36/78/46/339367846.db2.gz HMMXIEBGRVDNIZ-UHFFFAOYSA-N 1 0 304.437 4.999 20 30 DJEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000474056682 339399623 /nfs/dbraw/zinc/39/96/23/339399623.db2.gz LSIDVFCIERRLFI-XOBRGWDASA-N 1 0 320.436 4.640 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(F)c(F)c1 ZINC000474924220 339431145 /nfs/dbraw/zinc/43/11/45/339431145.db2.gz ATAPXGFTGFQZQQ-YVEFUNNKSA-N 1 0 311.441 4.703 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 ZINC000478199053 339510091 /nfs/dbraw/zinc/51/00/91/339510091.db2.gz CBYJYOYPPJFGQL-IBGZPJMESA-N 1 0 324.374 4.562 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1cccc(OCC)c1)c1ccc(F)c(F)c1 ZINC000479419433 339533997 /nfs/dbraw/zinc/53/39/97/339533997.db2.gz VEVAJVSNBFJDCJ-IBGZPJMESA-N 1 0 317.379 4.771 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000479458587 339536096 /nfs/dbraw/zinc/53/60/96/339536096.db2.gz UMRWUEGTZRQBEG-MRXNPFEDSA-N 1 0 310.441 4.592 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000479537830 339539920 /nfs/dbraw/zinc/53/99/20/339539920.db2.gz HKAMMLPPETVURG-IXDGSTSKSA-N 1 0 310.828 4.808 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(F)c(F)c1 ZINC000480677383 339583066 /nfs/dbraw/zinc/58/30/66/339583066.db2.gz QNJCURIMJCOGJC-RTBURBONSA-N 1 0 317.354 4.998 20 30 DJEDRO Cc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481911477 339616364 /nfs/dbraw/zinc/61/63/64/339616364.db2.gz GCRAISSVXLTEDK-HXUWFJFHSA-N 1 0 308.400 4.563 20 30 DJEDRO CSc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481916334 339616699 /nfs/dbraw/zinc/61/66/99/339616699.db2.gz CXQCANWDUFOCCM-FQEVSTJZSA-N 1 0 322.477 4.837 20 30 DJEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481995468 339619130 /nfs/dbraw/zinc/61/91/30/339619130.db2.gz VILOBIDRUFHPRH-SJORKVTESA-N 1 0 324.390 4.892 20 30 DJEDRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000482002260 339619159 /nfs/dbraw/zinc/61/91/59/339619159.db2.gz PCHZDXGJEUVTSY-ZBFHGGJFSA-N 1 0 310.363 4.646 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000482896747 339646426 /nfs/dbraw/zinc/64/64/26/339646426.db2.gz UJHNWVYZGSWXJV-LJQANCHMSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483668869 339671451 /nfs/dbraw/zinc/67/14/51/339671451.db2.gz LVYOBBQPOLKFRQ-UKRRQHHQSA-N 1 0 317.408 4.580 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000484092130 339680981 /nfs/dbraw/zinc/68/09/81/339680981.db2.gz HAWCKPWHJJFUTQ-FQEVSTJZSA-N 1 0 322.383 4.930 20 30 DJEDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000487571579 339757938 /nfs/dbraw/zinc/75/79/38/339757938.db2.gz INYKELJUYSWMMT-NVXWUHKLSA-N 1 0 322.477 4.629 20 30 DJEDRO Cc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000488112533 339770674 /nfs/dbraw/zinc/77/06/74/339770674.db2.gz ZRIGJOFWWSDTNW-CYBMUJFWSA-N 1 0 318.342 4.736 20 30 DJEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C2CC2)ccc1F ZINC000488167578 339772358 /nfs/dbraw/zinc/77/23/58/339772358.db2.gz WGWFUDJJCCWHSD-FQEVSTJZSA-N 1 0 308.400 4.555 20 30 DJEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CS1 ZINC000488440734 339782452 /nfs/dbraw/zinc/78/24/52/339782452.db2.gz QQVCGYGADRJGQV-BBWFWOEESA-N 1 0 302.487 4.541 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000488460250 339783857 /nfs/dbraw/zinc/78/38/57/339783857.db2.gz DOOOYZRIDWDSGZ-NEPJUHHUSA-N 1 0 302.780 4.763 20 30 DJEDRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCCCC#N ZINC000489480121 339810281 /nfs/dbraw/zinc/81/02/81/339810281.db2.gz AAPUTHIJMHAPNH-GOSISDBHSA-N 1 0 314.473 4.790 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(Cl)cc3)CCC2)s1 ZINC000491584005 339867829 /nfs/dbraw/zinc/86/78/29/339867829.db2.gz PABZCYXMDNZWRP-UHFFFAOYSA-N 1 0 316.857 4.528 20 30 DJEDRO Cc1cc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)ccc1C#N ZINC000492355929 339898462 /nfs/dbraw/zinc/89/84/62/339898462.db2.gz IUIXUDQEIIMMBO-OAHLLOKOSA-N 1 0 316.857 4.749 20 30 DJEDRO CC(C)(C)CN(CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000499641680 340042076 /nfs/dbraw/zinc/04/20/76/340042076.db2.gz LLYLNJWARSVOHF-UHFFFAOYSA-N 1 0 314.473 4.640 20 30 DJEDRO C[C@@H](CCc1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500086237 340049937 /nfs/dbraw/zinc/04/99/37/340049937.db2.gz USKNAPKTZSIKKU-OCDPCBSRSA-N 1 0 322.452 4.594 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500157975 340051586 /nfs/dbraw/zinc/05/15/86/340051586.db2.gz HDYGWWLJNUMAQF-UHFFFAOYSA-N 1 0 322.855 4.931 20 30 DJEDRO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450446 340059255 /nfs/dbraw/zinc/05/92/55/340059255.db2.gz GUUUTDVCCCSFMY-IRXDYDNUSA-N 1 0 322.452 4.689 20 30 DJEDRO C[C@H](c1cccc(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502497772 340106009 /nfs/dbraw/zinc/10/60/09/340106009.db2.gz YSFMHVNNQRSTFC-OAHLLOKOSA-N 1 0 306.384 4.548 20 30 DJEDRO C[C@H]1C[C@@]1([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000503412477 340127658 /nfs/dbraw/zinc/12/76/58/340127658.db2.gz VCPLWZWTPIMYCE-KSSFIOAISA-N 1 0 304.865 4.885 20 30 DJEDRO C=CCOc1ccc(C[NH2+]C2(c3ccccc3)CCCC2)cc1 ZINC000506309421 340191847 /nfs/dbraw/zinc/19/18/47/340191847.db2.gz UEYUTFSAEMNGFI-UHFFFAOYSA-N 1 0 307.437 4.811 20 30 DJEDRO CCCCC[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000507327592 340217334 /nfs/dbraw/zinc/21/73/34/340217334.db2.gz QTTUKVIZOKNTFQ-UHFFFAOYSA-N 1 0 317.436 4.622 20 30 DJEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507615741 340226243 /nfs/dbraw/zinc/22/62/43/340226243.db2.gz AXKBDOMIFHWPFH-KBPBESRZSA-N 1 0 313.894 4.595 20 30 DJEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000507652601 340227325 /nfs/dbraw/zinc/22/73/25/340227325.db2.gz JGIXPWOAKBJMME-UHFFFAOYSA-N 1 0 310.466 4.550 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000507692594 340228389 /nfs/dbraw/zinc/22/83/89/340228389.db2.gz CPRMIHGPELGAAV-UHFFFAOYSA-N 1 0 314.429 4.680 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000507705623 340228985 /nfs/dbraw/zinc/22/89/85/340228985.db2.gz WQFYGVKHLRQUCF-UHFFFAOYSA-N 1 0 314.429 4.680 20 30 DJEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000507999467 340237175 /nfs/dbraw/zinc/23/71/75/340237175.db2.gz PGPBABXQOLFPGV-LJQANCHMSA-N 1 0 308.450 4.662 20 30 DJEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000507999452 340237217 /nfs/dbraw/zinc/23/72/17/340237217.db2.gz PGPBABXQOLFPGV-IBGZPJMESA-N 1 0 308.450 4.662 20 30 DJEDRO CC[N@H+](Cc1cccc2cc[nH]c21)[C@H](C)c1ccc(C#N)cc1 ZINC000508602837 340247591 /nfs/dbraw/zinc/24/75/91/340247591.db2.gz GEPRIORSZYWION-OAHLLOKOSA-N 1 0 303.409 4.623 20 30 DJEDRO CC[N@H+](Cc1cccc2cc[nH]c21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602836 340247647 /nfs/dbraw/zinc/24/76/47/340247647.db2.gz GEPRIORSZYWION-HNNXBMFYSA-N 1 0 303.409 4.623 20 30 DJEDRO CC[N@H+](Cc1cc(F)c(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508604496 340247789 /nfs/dbraw/zinc/24/77/89/340247789.db2.gz NEQXXZYNXHLJRR-GFCCVEGCSA-N 1 0 318.342 4.559 20 30 DJEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000509035789 340259004 /nfs/dbraw/zinc/25/90/04/340259004.db2.gz WXQUDDMNJLKQBF-OAHLLOKOSA-N 1 0 303.446 4.633 20 30 DJEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000510654487 340305125 /nfs/dbraw/zinc/30/51/25/340305125.db2.gz YGJBXHIHWWVACK-KBPBESRZSA-N 1 0 314.379 4.508 20 30 DJEDRO N#CCCCC[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511073079 340320149 /nfs/dbraw/zinc/32/01/49/340320149.db2.gz NSXXVRJWRDIIAW-UHFFFAOYSA-N 1 0 310.363 4.611 20 30 DJEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)c1cc2ccccc2o1 ZINC000511896426 340342282 /nfs/dbraw/zinc/34/22/82/340342282.db2.gz OIKRIDDUGDSVSH-ZDUSSCGKSA-N 1 0 310.422 4.949 20 30 DJEDRO C=C(C)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000512365408 340358992 /nfs/dbraw/zinc/35/89/92/340358992.db2.gz XTCJHJMKEXRTGH-UHFFFAOYSA-N 1 0 317.864 4.624 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1F ZINC000512621284 340369352 /nfs/dbraw/zinc/36/93/52/340369352.db2.gz WFKIIINHNIVPQT-WDEREUQCSA-N 1 0 320.770 4.902 20 30 DJEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512621500 340369530 /nfs/dbraw/zinc/36/95/30/340369530.db2.gz YTVGKYZTLYIQOR-KGLIPLIRSA-N 1 0 312.388 4.508 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512625594 340369690 /nfs/dbraw/zinc/36/96/90/340369690.db2.gz OZUDLVPDNCTRCI-RYUDHWBXSA-N 1 0 302.780 4.763 20 30 DJEDRO C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512628986 340369873 /nfs/dbraw/zinc/36/98/73/340369873.db2.gz HHJMXCGMSUXLGC-QWRGUYRKSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1F ZINC000512653518 340371105 /nfs/dbraw/zinc/37/11/05/340371105.db2.gz FTOWSEXELAAELS-DJJJIMSYSA-N 1 0 308.400 4.771 20 30 DJEDRO CCCc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512808536 340378521 /nfs/dbraw/zinc/37/85/21/340378521.db2.gz CWQBZMNKXSOHIJ-OAQYLSRUSA-N 1 0 306.453 4.998 20 30 DJEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819668 340396608 /nfs/dbraw/zinc/39/66/08/340396608.db2.gz ZVUSMHWZZPHPQN-RHSMWYFYSA-N 1 0 300.446 4.697 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc1F ZINC000404618870 340405746 /nfs/dbraw/zinc/40/57/46/340405746.db2.gz VSRGIJZUIBGYKR-GOSISDBHSA-N 1 0 314.429 4.780 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccco1 ZINC000513701847 340420528 /nfs/dbraw/zinc/42/05/28/340420528.db2.gz APKCCIBEDZVGSG-OAHLLOKOSA-N 1 0 320.230 4.839 20 30 DJEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000190818379 340547253 /nfs/dbraw/zinc/54/72/53/340547253.db2.gz LZUIMCJVYDQCKF-ZDUSSCGKSA-N 1 0 318.342 4.736 20 30 DJEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000192161920 340563590 /nfs/dbraw/zinc/56/35/90/340563590.db2.gz FMGZTNZWOGOFQQ-SFHVURJKSA-N 1 0 318.342 4.607 20 30 DJEDRO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(Cl)c1F ZINC000192193425 340564429 /nfs/dbraw/zinc/56/44/29/340564429.db2.gz HGQZOECYDIDTRI-UHFFFAOYSA-N 1 0 320.770 4.515 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 ZINC000036991800 340729506 /nfs/dbraw/zinc/72/95/06/340729506.db2.gz CEBDSASUVWPUMX-NEPJUHHUSA-N 1 0 302.780 4.763 20 30 DJEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000537947335 340792624 /nfs/dbraw/zinc/79/26/24/340792624.db2.gz QXHCWCAMPQNOFA-KXBFYZLASA-N 1 0 323.396 4.599 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000537950247 340792686 /nfs/dbraw/zinc/79/26/86/340792686.db2.gz NYWZHQKGXXJJAA-BEFAXECRSA-N 1 0 310.397 4.953 20 30 DJEDRO N#CCCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000538174870 340812289 /nfs/dbraw/zinc/81/22/89/340812289.db2.gz GYORDQHDCNGULI-MRXNPFEDSA-N 1 0 321.262 4.574 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(F)c1 ZINC000538232709 340814352 /nfs/dbraw/zinc/81/43/52/340814352.db2.gz GSWOIKHKUOMOFB-GOSISDBHSA-N 1 0 314.379 4.713 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(C#N)cc1 ZINC000538393895 340820500 /nfs/dbraw/zinc/82/05/00/340820500.db2.gz UQPPPPCJPLSLQF-LAPQFRIASA-N 1 0 308.400 4.672 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000539046794 340867247 /nfs/dbraw/zinc/86/72/47/340867247.db2.gz MMXTUANKDSFLRA-RTBURBONSA-N 1 0 310.828 4.962 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)c1cccc(C#N)c1 ZINC000539494201 340887129 /nfs/dbraw/zinc/88/71/29/340887129.db2.gz BCNOJFJBFAYWRU-LAPQFRIASA-N 1 0 308.400 4.672 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000540170956 340920141 /nfs/dbraw/zinc/92/01/41/340920141.db2.gz NIIZAUCLBFWFTP-VHSXEESVSA-N 1 0 321.314 4.505 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000540171061 340920264 /nfs/dbraw/zinc/92/02/64/340920264.db2.gz MOYBXOXSDRMMFQ-DOMZBBRYSA-N 1 0 316.445 4.881 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000540174735 340920585 /nfs/dbraw/zinc/92/05/85/340920585.db2.gz WGOABCBXJSXYCY-CHWSQXEVSA-N 1 0 316.470 4.742 20 30 DJEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000540352143 340928087 /nfs/dbraw/zinc/92/80/87/340928087.db2.gz LVOXIQJLCFBFGC-MRXNPFEDSA-N 1 0 311.425 4.501 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(F)c1 ZINC000540428352 340930904 /nfs/dbraw/zinc/93/09/04/340930904.db2.gz RVDNTHILOQGVKN-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000540605827 340938287 /nfs/dbraw/zinc/93/82/87/340938287.db2.gz LJIGDPMAEDXQIT-JKSUJKDBSA-N 1 0 317.477 4.612 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1F ZINC000541203999 340961470 /nfs/dbraw/zinc/96/14/70/340961470.db2.gz AKHWXOOLFCHBSI-SFHVURJKSA-N 1 0 314.791 4.592 20 30 DJEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210454 341000367 /nfs/dbraw/zinc/00/03/67/341000367.db2.gz SIXMORGJTPMURI-MGPUTAFESA-N 1 0 320.436 4.634 20 30 DJEDRO CCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000542254740 341002310 /nfs/dbraw/zinc/00/23/10/341002310.db2.gz VWEVHEBQGAXWJQ-LJQANCHMSA-N 1 0 314.379 4.662 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000542556665 341013399 /nfs/dbraw/zinc/01/33/99/341013399.db2.gz UJHKVOKRDPMTDM-MRXNPFEDSA-N 1 0 314.454 4.505 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565307 341013965 /nfs/dbraw/zinc/01/39/65/341013965.db2.gz OVWLSGISKWCHIU-MNOVXSKESA-N 1 0 306.397 4.947 20 30 DJEDRO C=C(C)C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000542575483 341014362 /nfs/dbraw/zinc/01/43/62/341014362.db2.gz JWTKCJOEDLUAKK-LLVKDONJSA-N 1 0 306.862 4.999 20 30 DJEDRO Cc1cccc(C(C)(C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000130443377 341022011 /nfs/dbraw/zinc/02/20/11/341022011.db2.gz ZUMMTEPFJQHEPF-UHFFFAOYSA-N 1 0 322.452 4.703 20 30 DJEDRO C=CCSCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000542827140 341022517 /nfs/dbraw/zinc/02/25/17/341022517.db2.gz PKGOPGMLPMHIMK-CYBMUJFWSA-N 1 0 318.511 4.688 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000130546484 341027327 /nfs/dbraw/zinc/02/73/27/341027327.db2.gz GAQKEQXABZRKOL-QGZVFWFLSA-N 1 0 302.780 4.614 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543186560 341035832 /nfs/dbraw/zinc/03/58/32/341035832.db2.gz WGWWFCKPJSNACP-NRFANRHFSA-N 1 0 322.427 4.913 20 30 DJEDRO N#CCCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000543427379 341043944 /nfs/dbraw/zinc/04/39/44/341043944.db2.gz ZMZUOWBVSZZTMZ-JKSUJKDBSA-N 1 0 310.363 4.625 20 30 DJEDRO N#CCCC[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000543429898 341044263 /nfs/dbraw/zinc/04/42/63/341044263.db2.gz QOYCUOABVWBVQX-UHFFFAOYSA-N 1 0 306.453 4.514 20 30 DJEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543497233 341047458 /nfs/dbraw/zinc/04/74/58/341047458.db2.gz JDGRBEWAJNABDB-CHWSQXEVSA-N 1 0 312.379 4.727 20 30 DJEDRO C=CCCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000543499882 341047615 /nfs/dbraw/zinc/04/76/15/341047615.db2.gz KFFRPLBYQWTFBM-ZDUSSCGKSA-N 1 0 316.470 4.744 20 30 DJEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCCC#N)c1 ZINC000544125420 341071216 /nfs/dbraw/zinc/07/12/16/341071216.db2.gz IEMWAMNBPICOQB-NHCUHLMSSA-N 1 0 320.436 4.530 20 30 DJEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000545875142 341143653 /nfs/dbraw/zinc/14/36/53/341143653.db2.gz GXYNUTPZJNBUKH-CQSZACIVSA-N 1 0 304.846 4.850 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872193 341143724 /nfs/dbraw/zinc/14/37/24/341143724.db2.gz XBHHRJHUHAYABV-OAGGEKHMSA-N 1 0 310.363 4.623 20 30 DJEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@H](C)c2cccc(C)c2)cc1 ZINC000546308619 341162584 /nfs/dbraw/zinc/16/25/84/341162584.db2.gz NKKRVHWSUXXFDS-UWJYYQICSA-N 1 0 322.452 4.742 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)CC(F)(F)F)cc1Cl ZINC000546881039 341185354 /nfs/dbraw/zinc/18/53/54/341185354.db2.gz ZHNJFEWCFXFYJW-LBPRGKRZSA-N 1 0 321.770 4.725 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H](C)c1ccccc1 ZINC000237332676 341211936 /nfs/dbraw/zinc/21/19/36/341211936.db2.gz HIFWSNXPGFQHKE-ZWKOTPCHSA-N 1 0 322.452 4.651 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(F)c(F)c1 ZINC000547820679 341234800 /nfs/dbraw/zinc/23/48/00/341234800.db2.gz VETOJEDHSDJYBE-FQEVSTJZSA-N 1 0 324.374 4.920 20 30 DJEDRO C[C@H](c1ccco1)[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000135282687 341235333 /nfs/dbraw/zinc/23/53/33/341235333.db2.gz WVQWSSDTLLDPTB-OAHLLOKOSA-N 1 0 308.425 4.806 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)c(Cl)c1 ZINC000135667634 341243590 /nfs/dbraw/zinc/24/35/90/341243590.db2.gz XGVHMYLZIMAEAG-SECBINFHSA-N 1 0 311.237 4.777 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc2ccccc21 ZINC000136232061 341255425 /nfs/dbraw/zinc/25/54/25/341255425.db2.gz VVMDZWLBVFQNDX-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549227225 341289094 /nfs/dbraw/zinc/28/90/94/341289094.db2.gz TYEXLTJMJBMFRS-NXVRBGIVSA-N 1 0 308.400 4.542 20 30 DJEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000550351053 341315519 /nfs/dbraw/zinc/31/55/19/341315519.db2.gz UXSDYSORHDMWSY-CQSZACIVSA-N 1 0 310.828 4.937 20 30 DJEDRO Cc1ccccc1C[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000550832063 341324011 /nfs/dbraw/zinc/32/40/11/341324011.db2.gz AOIGLGSDTDTKIV-GHTZIAJQSA-N 1 0 306.453 4.951 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000550857087 341324699 /nfs/dbraw/zinc/32/46/99/341324699.db2.gz NKENJXYKAHWCMJ-CQSZACIVSA-N 1 0 324.346 4.533 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccco1 ZINC000552243592 341380690 /nfs/dbraw/zinc/38/06/90/341380690.db2.gz FGNUGZWUFOFPJZ-GOSISDBHSA-N 1 0 322.408 4.634 20 30 DJEDRO COc1ccc([C@H](C)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000552312931 341385679 /nfs/dbraw/zinc/38/56/79/341385679.db2.gz CFMRAJOFMRTQHJ-UTKZUKDTSA-N 1 0 322.452 4.823 20 30 DJEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC[C@@H](C#N)C3)oc21 ZINC000248826205 341387800 /nfs/dbraw/zinc/38/78/00/341387800.db2.gz LYIVWRVSICIOGO-SQWLQELKSA-N 1 0 312.413 4.564 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)ccc1F ZINC000552969311 341411064 /nfs/dbraw/zinc/41/10/64/341411064.db2.gz LSVLGQPOTVTIIY-HXPMCKFVSA-N 1 0 312.363 4.565 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000091400586 341425734 /nfs/dbraw/zinc/42/57/34/341425734.db2.gz QURFPDQXUZGQRI-WMZOPIPTSA-N 1 0 319.452 4.931 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc2cc(Cl)ccc2o1 ZINC000553813461 341436269 /nfs/dbraw/zinc/43/62/69/341436269.db2.gz FSPXEJYUOBKOSX-SNVBAGLBSA-N 1 0 316.813 4.870 20 30 DJEDRO COc1ccc2cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)ccc2c1 ZINC000554075253 341442806 /nfs/dbraw/zinc/44/28/06/341442806.db2.gz VGBQNPXIFRIEPU-OAHLLOKOSA-N 1 0 310.441 4.829 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000554074793 341442813 /nfs/dbraw/zinc/44/28/13/341442813.db2.gz GKIWKVKYSLQXGN-WBVHZDCISA-N 1 0 304.865 4.896 20 30 DJEDRO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000554366048 341451466 /nfs/dbraw/zinc/45/14/66/341451466.db2.gz WBZAZNKBJBSPEM-APHBMKBZSA-N 1 0 310.363 4.578 20 30 DJEDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(C#N)c1 ZINC000554366049 341451541 /nfs/dbraw/zinc/45/15/41/341451541.db2.gz WBZAZNKBJBSPEM-DAXOMENPSA-N 1 0 310.363 4.578 20 30 DJEDRO CSc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1F ZINC000554864164 341467290 /nfs/dbraw/zinc/46/72/90/341467290.db2.gz PKGDPAJOWORNCN-HSBZDZAISA-N 1 0 306.450 4.528 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000555334597 341480418 /nfs/dbraw/zinc/48/04/18/341480418.db2.gz YHNILAAOLCDHTJ-VQIMIIECSA-N 1 0 304.437 4.711 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000556255582 341499625 /nfs/dbraw/zinc/49/96/25/341499625.db2.gz WFLJVZYRPYUPSP-NEPJUHHUSA-N 1 0 302.780 4.763 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000565694549 341535294 /nfs/dbraw/zinc/53/52/94/341535294.db2.gz YNBRDZMWJZXGDJ-RTBURBONSA-N 1 0 312.457 4.503 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000565694539 341535353 /nfs/dbraw/zinc/53/53/53/341535353.db2.gz YNBRDZMWJZXGDJ-MOPGFXCFSA-N 1 0 312.457 4.503 20 30 DJEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000573794337 341739430 /nfs/dbraw/zinc/73/94/30/341739430.db2.gz GRSLHVUXPZRYRO-KBXCAEBGSA-N 1 0 315.848 4.604 20 30 DJEDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000574489889 341760232 /nfs/dbraw/zinc/76/02/32/341760232.db2.gz YXGFMPKUWJBKCO-PMACEKPBSA-N 1 0 320.436 4.685 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3sccc3c2)cc1 ZINC000575622966 341800451 /nfs/dbraw/zinc/80/04/51/341800451.db2.gz QJWZGIATSKFYBC-UHFFFAOYSA-N 1 0 309.434 4.756 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000575624590 341800582 /nfs/dbraw/zinc/80/05/82/341800582.db2.gz GPNWSFUXYYIUJO-WOJBJXKFSA-N 1 0 322.839 4.940 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000575819710 341806715 /nfs/dbraw/zinc/80/67/15/341806715.db2.gz FHJGULSAOXEAFB-CQSZACIVSA-N 1 0 322.880 4.557 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000174430978 341826803 /nfs/dbraw/zinc/82/68/03/341826803.db2.gz IYQXOQMAPUKRCR-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)ccc1C#N ZINC000577029363 341878451 /nfs/dbraw/zinc/87/84/51/341878451.db2.gz PFXNBUJVVSVIEW-HNNXBMFYSA-N 1 0 308.425 4.541 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000177702144 341924298 /nfs/dbraw/zinc/92/42/98/341924298.db2.gz JYFHAQUVEJGNHL-INIZCTEOSA-N 1 0 304.846 4.760 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccc3ccccc32)cc1 ZINC000577803200 341937663 /nfs/dbraw/zinc/93/76/63/341937663.db2.gz GIKTWINRSMXQPL-INIZCTEOSA-N 1 0 318.420 4.650 20 30 DJEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cc1C ZINC000518826179 335020915 /nfs/dbraw/zinc/02/09/15/335020915.db2.gz IPDVKPQJWRRBCD-HXUWFJFHSA-N 1 0 308.400 4.651 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)c1ccc(C#N)cc1 ZINC000285684026 131193790 /nfs/dbraw/zinc/19/37/90/131193790.db2.gz NTMZDZOPUGMWIO-LJQANCHMSA-N 1 0 303.409 4.589 20 30 DJEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000570527495 332768819 /nfs/dbraw/zinc/76/88/19/332768819.db2.gz UADYNRATWKHZKJ-KRWDZBQOSA-N 1 0 322.452 4.946 20 30 DJEDRO CCC(CC)[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccs1 ZINC000530879451 331632253 /nfs/dbraw/zinc/63/22/53/331632253.db2.gz OZQXJCNMGUOQGZ-INIZCTEOSA-N 1 0 304.484 4.948 20 30 DJEDRO CCCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000556589263 331718769 /nfs/dbraw/zinc/71/87/69/331718769.db2.gz RFVXMOCLUBTTCN-INIZCTEOSA-N 1 0 308.425 4.588 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1-n1ccc(C)n1)c1ccco1 ZINC000556884555 331748344 /nfs/dbraw/zinc/74/83/44/331748344.db2.gz DBASQZBJMPHRHR-GOSISDBHSA-N 1 0 321.424 4.571 20 30 DJEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(OCc2ccccc2)c1 ZINC000558116280 331877287 /nfs/dbraw/zinc/87/72/87/331877287.db2.gz IIJCXZSLCINDKQ-KRWDZBQOSA-N 1 0 322.452 4.856 20 30 DJEDRO CC(C)[C@H](CSc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000558244738 331887319 /nfs/dbraw/zinc/88/73/19/331887319.db2.gz BZXPUQRCROCYAX-KRWDZBQOSA-N 1 0 304.503 4.723 20 30 DJEDRO C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC(C#N)CC1 ZINC000445207130 331958201 /nfs/dbraw/zinc/95/82/01/331958201.db2.gz BZXOTKDRDWWXFP-MRXNPFEDSA-N 1 0 306.409 4.775 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000426287933 332012936 /nfs/dbraw/zinc/01/29/36/332012936.db2.gz HNXDRDKDGLVHES-RTWAWAEBSA-N 1 0 302.421 4.521 20 30 DJEDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCCCC(C)(C)C#N)s1 ZINC000409446896 332032447 /nfs/dbraw/zinc/03/24/47/332032447.db2.gz MMKGAUFXPMCODV-AWEZNQCLSA-N 1 0 307.507 4.727 20 30 DJEDRO Cc1c([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000090664992 332092177 /nfs/dbraw/zinc/09/21/77/332092177.db2.gz ZJZSOHXQBGZODH-YJBOKZPZSA-N 1 0 323.396 4.599 20 30 DJEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664950 332092261 /nfs/dbraw/zinc/09/22/61/332092261.db2.gz LOQQGWCBJUUJHL-WOJBJXKFSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 ZINC000090665112 332092263 /nfs/dbraw/zinc/09/22/63/332092263.db2.gz WJCDIJVDPNOMOM-RHSMWYFYSA-N 1 0 321.449 4.992 20 30 DJEDRO CCc1nc(C)c([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000090664660 332092266 /nfs/dbraw/zinc/09/22/66/332092266.db2.gz YQNCVZXYQULQOO-XJKSGUPXSA-N 1 0 313.470 4.710 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000090665755 332092498 /nfs/dbraw/zinc/09/24/98/332092498.db2.gz YVJVGVJNIGJQGD-SCLBCKFNSA-N 1 0 300.352 4.660 20 30 DJEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000569558602 332138406 /nfs/dbraw/zinc/13/84/06/332138406.db2.gz ZMKYNNXDJUPVBF-MGPUTAFESA-N 1 0 320.436 4.604 20 30 DJEDRO C=C(C)CN(C)[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000181254207 332188447 /nfs/dbraw/zinc/18/84/47/332188447.db2.gz VZABEHDSKARJCV-CYBMUJFWSA-N 1 0 304.821 4.872 20 30 DJEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000426065070 335099122 /nfs/dbraw/zinc/09/91/22/335099122.db2.gz XKFMNBUEFMTJMH-WBMJQRKESA-N 1 0 310.363 4.646 20 30 DJEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000426065069 335099223 /nfs/dbraw/zinc/09/92/23/335099223.db2.gz XKFMNBUEFMTJMH-MLGOLLRUSA-N 1 0 310.363 4.646 20 30 DJEDRO CC(C)Sc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000560172677 332316851 /nfs/dbraw/zinc/31/68/51/332316851.db2.gz BWDXRGQWKZMNNR-UHFFFAOYSA-N 1 0 322.477 4.838 20 30 DJEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccs2)ccc1OC ZINC000237174256 332318126 /nfs/dbraw/zinc/31/81/26/332318126.db2.gz BCPHWZGHKYRLGA-CQSZACIVSA-N 1 0 317.454 4.562 20 30 DJEDRO CC1(C)CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000560261537 332325048 /nfs/dbraw/zinc/32/50/48/332325048.db2.gz ZMXXMDIIYSGPCP-HXUWFJFHSA-N 1 0 316.448 4.950 20 30 DJEDRO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560261385 332325090 /nfs/dbraw/zinc/32/50/90/332325090.db2.gz NPKKPNVMQRCSGR-FQEVSTJZSA-N 1 0 316.448 4.831 20 30 DJEDRO C=CCCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000448035466 332329358 /nfs/dbraw/zinc/32/93/58/332329358.db2.gz QGZMYYDPPRMKHJ-GOSISDBHSA-N 1 0 300.833 4.575 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cccc(CSC)c1)c1ccco1 ZINC000560549081 332357167 /nfs/dbraw/zinc/35/71/67/332357167.db2.gz VYFGFKRZGPZIRA-KRWDZBQOSA-N 1 0 301.455 4.940 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1F ZINC000150873437 332448962 /nfs/dbraw/zinc/44/89/62/332448962.db2.gz PUDRZLDODIKVFN-INIZCTEOSA-N 1 0 320.408 4.775 20 30 DJEDRO CC(C)Oc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000130383996 332536061 /nfs/dbraw/zinc/53/60/61/332536061.db2.gz YOYQVUQKFAODGB-HXUWFJFHSA-N 1 0 308.425 4.608 20 30 DJEDRO CC(C)Oc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000130501947 332539164 /nfs/dbraw/zinc/53/91/64/332539164.db2.gz WJNYPIYRCVSQGL-FQEVSTJZSA-N 1 0 308.425 4.608 20 30 DJEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000135233918 332617234 /nfs/dbraw/zinc/61/72/34/332617234.db2.gz DCUWEDAKPXOZAK-LJQANCHMSA-N 1 0 321.468 4.678 20 30 DJEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444674466 332696534 /nfs/dbraw/zinc/69/65/34/332696534.db2.gz KWUUCMXEAMTZQJ-RHSMWYFYSA-N 1 0 322.880 4.726 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H](C)c1cn2ccccc2n1)c1ccccc1 ZINC000570468152 332760170 /nfs/dbraw/zinc/76/01/70/332760170.db2.gz SXINMXZOJMKDJK-AEFFLSMTSA-N 1 0 305.425 4.692 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000381722842 333029513 /nfs/dbraw/zinc/02/95/13/333029513.db2.gz MDCLCLILHOKOTE-RNCFNFMXSA-N 1 0 300.265 4.516 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)c2ccccc21 ZINC000580253216 333041489 /nfs/dbraw/zinc/04/14/89/333041489.db2.gz SABHQOHJCMTBBE-CYBMUJFWSA-N 1 0 322.358 4.840 20 30 DJEDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CCCSCC#N)cc1 ZINC000466745052 333082800 /nfs/dbraw/zinc/08/28/00/333082800.db2.gz XVCBTXBLKLNKKK-SFHVURJKSA-N 1 0 316.514 4.768 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccccc1OCc1ccccc1 ZINC000178642749 333141671 /nfs/dbraw/zinc/14/16/71/333141671.db2.gz FSYALFLRTHAMQY-KRWDZBQOSA-N 1 0 308.425 4.610 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000180551649 333163134 /nfs/dbraw/zinc/16/31/34/333163134.db2.gz AOLGIVFKQZDBDO-AWEZNQCLSA-N 1 0 320.845 4.545 20 30 DJEDRO CC(C)(CCC#N)C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000180658136 333164077 /nfs/dbraw/zinc/16/40/77/333164077.db2.gz JLQGRJIOLLOCPP-UHFFFAOYSA-N 1 0 307.441 4.587 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1cccc(F)c1F ZINC000181959884 333173816 /nfs/dbraw/zinc/17/38/16/333173816.db2.gz ZYBQCSLSUFKDOG-CYBMUJFWSA-N 1 0 314.379 4.617 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043344 333175091 /nfs/dbraw/zinc/17/50/91/333175091.db2.gz WLDSWQIAAOCIDB-UTKZUKDTSA-N 1 0 320.436 4.947 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182812664 333180474 /nfs/dbraw/zinc/18/04/74/333180474.db2.gz QECVDAVMLWPFGS-OAHLLOKOSA-N 1 0 310.413 4.662 20 30 DJEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCCC#N ZINC000184088267 333191740 /nfs/dbraw/zinc/19/17/40/333191740.db2.gz HONCRNITSVXOMM-NSHDSACASA-N 1 0 319.861 4.726 20 30 DJEDRO Cc1sc([C@@H](C)[NH2+]CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000184948274 333202917 /nfs/dbraw/zinc/20/29/17/333202917.db2.gz WKJNMUDVOLXNAX-LLVKDONJSA-N 1 0 319.861 4.726 20 30 DJEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185923484 333216087 /nfs/dbraw/zinc/21/60/87/333216087.db2.gz MEUWBNMQTDIVDJ-SNVBAGLBSA-N 1 0 319.396 4.533 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000390291985 333259728 /nfs/dbraw/zinc/25/97/28/333259728.db2.gz PDXBROUYAKEQLZ-INIZCTEOSA-N 1 0 311.425 4.501 20 30 DJEDRO CCOc1ccccc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000497619293 333270538 /nfs/dbraw/zinc/27/05/38/333270538.db2.gz RSJYWVFZZSUVHB-MRXNPFEDSA-N 1 0 308.425 4.540 20 30 DJEDRO N#CCSCCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000540428396 333275596 /nfs/dbraw/zinc/27/55/96/333275596.db2.gz VATYFLGFXOVUQB-QGZVFWFLSA-N 1 0 322.905 4.808 20 30 DJEDRO Cc1c([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cnn1C(C)(C)C ZINC000191388500 333279743 /nfs/dbraw/zinc/27/97/43/333279743.db2.gz HNCIEXNRYGYMEN-DNVCBOLYSA-N 1 0 324.472 4.642 20 30 DJEDRO Cc1c([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cnn1C(C)(C)C ZINC000191388513 333279896 /nfs/dbraw/zinc/27/98/96/333279896.db2.gz HNCIEXNRYGYMEN-HNAYVOBHSA-N 1 0 324.472 4.642 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1ccc(C#N)cc1 ZINC000391169568 333422287 /nfs/dbraw/zinc/42/22/87/333422287.db2.gz FKASXYPOCPQCCA-CYBMUJFWSA-N 1 0 321.811 4.611 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000160736862 333483264 /nfs/dbraw/zinc/48/32/64/333483264.db2.gz ZBRAIPYDMKYOHP-SGTLLEGYSA-N 1 0 300.352 4.638 20 30 DJEDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000338446099 333487988 /nfs/dbraw/zinc/48/79/88/333487988.db2.gz RLDVCWSEEJZXHV-KXBFYZLASA-N 1 0 312.844 4.906 20 30 DJEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000338446095 333488000 /nfs/dbraw/zinc/48/80/00/333488000.db2.gz RLDVCWSEEJZXHV-DNVCBOLYSA-N 1 0 312.844 4.906 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000531538027 333534221 /nfs/dbraw/zinc/53/42/21/333534221.db2.gz LYOCDUQVJWYSKT-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C=CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000531868063 333586865 /nfs/dbraw/zinc/58/68/65/333586865.db2.gz QDTYKVXUKNXQNT-UHFFFAOYSA-N 1 0 314.256 4.551 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](c3cccc(F)c3)C1)CC2 ZINC000571129232 333666641 /nfs/dbraw/zinc/66/66/41/333666641.db2.gz IVOSFTJQTNUDMO-FBBABVLZSA-N 1 0 320.411 4.611 20 30 DJEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc2ncsc2c1 ZINC000411563267 333692083 /nfs/dbraw/zinc/69/20/83/333692083.db2.gz QKPZNABHDUQOSZ-AWEZNQCLSA-N 1 0 313.470 4.811 20 30 DJEDRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC(C)(C)CC#N ZINC000414168124 333916785 /nfs/dbraw/zinc/91/67/85/333916785.db2.gz QHHWNWWFMWXRAK-OAHLLOKOSA-N 1 0 311.473 4.754 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1O ZINC000280095485 334114226 /nfs/dbraw/zinc/11/42/26/334114226.db2.gz MSQFJDFTUDWGBY-MOPGFXCFSA-N 1 0 308.425 4.786 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431006 334198551 /nfs/dbraw/zinc/19/85/51/334198551.db2.gz BIUYFQHVEFLCRE-OXJNMPFZSA-N 1 0 303.409 4.644 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441762 334202320 /nfs/dbraw/zinc/20/23/20/334202320.db2.gz DLUZMAQLLPCUOP-YWZLYKJASA-N 1 0 321.399 4.783 20 30 DJEDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000340446027 334203486 /nfs/dbraw/zinc/20/34/86/334203486.db2.gz NDLUNSBIHXTLSA-YOEHRIQHSA-N 1 0 313.470 4.846 20 30 DJEDRO CCC1(CC)[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H]1OC ZINC000340445472 334203977 /nfs/dbraw/zinc/20/39/77/334203977.db2.gz DOKNSWLMUQMITG-IPMKNSEASA-N 1 0 314.473 4.605 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000340450549 334204937 /nfs/dbraw/zinc/20/49/37/334204937.db2.gz NEZHPYKDSHWKPH-WOJBJXKFSA-N 1 0 324.855 4.832 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000340450547 334205078 /nfs/dbraw/zinc/20/50/78/334205078.db2.gz NEZHPYKDSHWKPH-UXHICEINSA-N 1 0 324.855 4.832 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449735 334205467 /nfs/dbraw/zinc/20/54/67/334205467.db2.gz WOPUXYNTLCBNGJ-VQTJNVASSA-N 1 0 308.400 4.838 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453942 334206576 /nfs/dbraw/zinc/20/65/76/334206576.db2.gz SDULXHZBBYZFKE-UZLBHIALSA-N 1 0 303.409 4.644 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCSCC1 ZINC000340453925 334206582 /nfs/dbraw/zinc/20/65/82/334206582.db2.gz RZZJTGCFIKJIOH-MAUKXSAKSA-N 1 0 302.487 4.543 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453052 334206828 /nfs/dbraw/zinc/20/68/28/334206828.db2.gz RBFVHQYRRBYEMI-YJBOKZPZSA-N 1 0 322.408 4.501 20 30 DJEDRO COc1cccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000340456236 334207071 /nfs/dbraw/zinc/20/70/71/334207071.db2.gz WLERZWOASPPUSO-JXFKEZNVSA-N 1 0 308.425 4.781 20 30 DJEDRO CCc1cccnc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340455050 334207256 /nfs/dbraw/zinc/20/72/56/334207256.db2.gz UREKOVUCRZNSPC-LPHOPBHVSA-N 1 0 307.441 4.730 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340454924 334207284 /nfs/dbraw/zinc/20/72/84/334207284.db2.gz TUYATOQSSNYZTI-OXQOHEQNSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340457996 334207625 /nfs/dbraw/zinc/20/76/25/334207625.db2.gz XEWVUTHPNAHOSL-XLIONFOSSA-N 1 0 321.468 4.838 20 30 DJEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295017716 334215546 /nfs/dbraw/zinc/21/55/46/334215546.db2.gz MUYYXDIGTQCLRY-QXAKKESOSA-N 1 0 304.478 4.640 20 30 DJEDRO N#CC1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000123696696 334274228 /nfs/dbraw/zinc/27/42/28/334274228.db2.gz LTVBVKQLFJGSFS-UHFFFAOYSA-N 1 0 316.857 4.804 20 30 DJEDRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296348982 334232764 /nfs/dbraw/zinc/23/27/64/334232764.db2.gz IFMTUWXMVOZVTP-DOXZYTNZSA-N 1 0 307.441 4.526 20 30 DJEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000296522819 334234796 /nfs/dbraw/zinc/23/47/96/334234796.db2.gz QAOPZHBEFGHHLJ-VYDXJSESSA-N 1 0 318.848 4.551 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Oc2ccccc2)cn1 ZINC000296571354 334235146 /nfs/dbraw/zinc/23/51/46/334235146.db2.gz SXNRUKDTOCDQFP-IKGGRYGDSA-N 1 0 321.424 4.607 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000296621181 334235539 /nfs/dbraw/zinc/23/55/39/334235539.db2.gz WWNLZXTWZSRVRR-CORIIIEPSA-N 1 0 306.862 4.549 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000453289760 334248767 /nfs/dbraw/zinc/24/87/67/334248767.db2.gz ITWPZICKWMJLFY-XEZPLFJOSA-N 1 0 321.262 4.572 20 30 DJEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000298856380 334251762 /nfs/dbraw/zinc/25/17/62/334251762.db2.gz IUHGHAJBGXQZKB-JKSUJKDBSA-N 1 0 308.425 4.705 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000048367600 334279573 /nfs/dbraw/zinc/27/95/73/334279573.db2.gz QARLUKOSNKNTOB-OAQYLSRUSA-N 1 0 316.379 4.577 20 30 DJEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c1 ZINC000353635058 334308159 /nfs/dbraw/zinc/30/81/59/334308159.db2.gz XZSZLUTXRPOFNU-AWEZNQCLSA-N 1 0 316.470 4.518 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000532015786 334372194 /nfs/dbraw/zinc/37/21/94/334372194.db2.gz BRWRREVOKDVGCO-CYBMUJFWSA-N 1 0 315.791 4.572 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1Cl ZINC000532015787 334372250 /nfs/dbraw/zinc/37/22/50/334372250.db2.gz BRWRREVOKDVGCO-ZDUSSCGKSA-N 1 0 315.791 4.572 20 30 DJEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000341681617 334466210 /nfs/dbraw/zinc/46/62/10/334466210.db2.gz HBDZVKWAWLOUHF-XMDBHEJHSA-N 1 0 302.421 4.774 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000341696358 334471158 /nfs/dbraw/zinc/47/11/58/334471158.db2.gz FBGLQROMENDSHS-GOSISDBHSA-N 1 0 314.791 4.518 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccccc21 ZINC000341756620 334477311 /nfs/dbraw/zinc/47/73/11/334477311.db2.gz GAAPRJNFTWVSJG-RTWAWAEBSA-N 1 0 302.421 4.603 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000341760832 334478210 /nfs/dbraw/zinc/47/82/10/334478210.db2.gz MTCVUCOACGAFAZ-SFTDATJTSA-N 1 0 320.436 4.685 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC000417376895 334765542 /nfs/dbraw/zinc/76/55/42/334765542.db2.gz CQGXEOWGNSIHNJ-CWTRNNRKSA-N 1 0 312.363 4.565 20 30 DJEDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000343988984 335206042 /nfs/dbraw/zinc/20/60/42/335206042.db2.gz PCCYRVVUHCIYCT-HKBOAZHASA-N 1 0 320.436 4.519 20 30 DJEDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000343988986 335206092 /nfs/dbraw/zinc/20/60/92/335206092.db2.gz PCCYRVVUHCIYCT-QHAWAJNXSA-N 1 0 320.436 4.519 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000344284221 335236338 /nfs/dbraw/zinc/23/63/38/335236338.db2.gz CCOHTIMRDLGORR-WOJBJXKFSA-N 1 0 308.400 4.838 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc2cccnc12 ZINC000344300059 335238293 /nfs/dbraw/zinc/23/82/93/335238293.db2.gz ICHOBXSQGKKBRS-FQEVSTJZSA-N 1 0 315.420 4.678 20 30 DJEDRO COc1ccc(C2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444636428 338477795 /nfs/dbraw/zinc/47/77/95/338477795.db2.gz DDUVMPUMKJXWEC-UHFFFAOYSA-N 1 0 314.473 4.595 20 30 DJEDRO CC(C)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000444669626 338480848 /nfs/dbraw/zinc/48/08/48/338480848.db2.gz FQCDENMUQHECLY-KRWDZBQOSA-N 1 0 308.416 4.972 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000444671802 338481165 /nfs/dbraw/zinc/48/11/65/338481165.db2.gz FARIDZQUYUYUHY-UHFFFAOYSA-N 1 0 306.400 4.654 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000093492226 335652779 /nfs/dbraw/zinc/65/27/79/335652779.db2.gz WUJNZKDJCRKZNY-INIZCTEOSA-N 1 0 304.846 4.760 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000532159713 335906268 /nfs/dbraw/zinc/90/62/68/335906268.db2.gz ZZVRVLIZJOMRPV-KRWDZBQOSA-N 1 0 316.445 4.896 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000351061903 336009830 /nfs/dbraw/zinc/00/98/30/336009830.db2.gz HVVBKCQFKWBCEJ-FQEVSTJZSA-N 1 0 320.436 4.588 20 30 DJEDRO N#Cc1cc(F)ccc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000351103398 336014001 /nfs/dbraw/zinc/01/40/01/336014001.db2.gz RIBIXVZGOKGAED-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000192936261 336285196 /nfs/dbraw/zinc/28/51/96/336285196.db2.gz FQRZQEYPKWXYHQ-KGLIPLIRSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@H](C[N@H+](C)Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000514100036 336323526 /nfs/dbraw/zinc/32/35/26/336323526.db2.gz SQCZTLUNAXWUST-GOSISDBHSA-N 1 0 322.452 4.605 20 30 DJEDRO COc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1C ZINC000353896327 336446441 /nfs/dbraw/zinc/44/64/41/336446441.db2.gz FSIMEEBXUCDURH-IBGZPJMESA-N 1 0 308.425 4.528 20 30 DJEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CS1 ZINC000353897949 336446760 /nfs/dbraw/zinc/44/67/60/336446760.db2.gz IMFJYQOUUCDMJJ-KURKYZTESA-N 1 0 302.487 4.541 20 30 DJEDRO CC[C@@H]([NH2+]Cc1c(F)cccc1SC)c1ccc(C#N)cc1 ZINC000353910081 336447394 /nfs/dbraw/zinc/44/73/94/336447394.db2.gz FJNRDCUDOZFMRF-QGZVFWFLSA-N 1 0 314.429 4.660 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000353916936 336448116 /nfs/dbraw/zinc/44/81/16/336448116.db2.gz RZUOBAYEFATMQJ-NJYVYQBISA-N 1 0 304.437 4.815 20 30 DJEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CCC2 ZINC000358349285 336625379 /nfs/dbraw/zinc/62/53/79/336625379.db2.gz HOYDXPGZSMLPEI-RTWAWAEBSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1F ZINC000358567894 336634866 /nfs/dbraw/zinc/63/48/66/336634866.db2.gz KMMKLSSQTIZELX-CKNLXJGOSA-N 1 0 308.400 4.987 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(C#N)cc1F ZINC000358578647 336635388 /nfs/dbraw/zinc/63/53/88/336635388.db2.gz VYXHTNBQMRMZLQ-SJCJKPOMSA-N 1 0 312.413 4.585 20 30 DJEDRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360821650 336723128 /nfs/dbraw/zinc/72/31/28/336723128.db2.gz MJSAXXPDZYZFAR-YWZLYKJASA-N 1 0 308.425 4.530 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000119273134 336883836 /nfs/dbraw/zinc/88/38/36/336883836.db2.gz FZSLJHOYTOORGR-QGZVFWFLSA-N 1 0 302.780 4.614 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(F)cc1Cl ZINC000418152046 336898075 /nfs/dbraw/zinc/89/80/75/336898075.db2.gz XLXMBMYNJASSJT-SFHVURJKSA-N 1 0 314.791 4.518 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000582318130 336917473 /nfs/dbraw/zinc/91/74/73/336917473.db2.gz ANABRJVOISDRMD-UHFFFAOYSA-N 1 0 300.377 4.505 20 30 DJEDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721235 337017776 /nfs/dbraw/zinc/01/77/76/337017776.db2.gz VDAUONPGKHRPGE-ACRUOGEOSA-N 1 0 320.436 4.519 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000375883126 337022020 /nfs/dbraw/zinc/02/20/20/337022020.db2.gz ARQHTFCTLUEXBD-HIFRSBDPSA-N 1 0 302.443 4.719 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376268537 337030165 /nfs/dbraw/zinc/03/01/65/337030165.db2.gz DWBLHVSNPGGZHS-MRXNPFEDSA-N 1 0 303.409 4.570 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000178640820 337165778 /nfs/dbraw/zinc/16/57/78/337165778.db2.gz FIDTVINCXZXZMZ-SNVBAGLBSA-N 1 0 303.258 4.716 20 30 DJEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2cccnc2)cc1 ZINC000181282820 337180835 /nfs/dbraw/zinc/18/08/35/337180835.db2.gz YIJACBCOWKISMW-MRXNPFEDSA-N 1 0 307.441 4.729 20 30 DJEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1OC ZINC000181575637 337182974 /nfs/dbraw/zinc/18/29/74/337182974.db2.gz AFOHHTTZPFFHJA-RTBURBONSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000399224187 337314370 /nfs/dbraw/zinc/31/43/70/337314370.db2.gz DITMYNSJEGWFKJ-QGZVFWFLSA-N 1 0 304.437 4.553 20 30 DJEDRO CC(C)c1ccc(CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000583825138 337337342 /nfs/dbraw/zinc/33/73/42/337337342.db2.gz DRGICLXIAVHARB-PZJWPPBQSA-N 1 0 310.485 4.757 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000421348451 337527866 /nfs/dbraw/zinc/52/78/66/337527866.db2.gz GFMWSISUKNHCIF-JIMOISOXSA-N 1 0 322.886 4.616 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000248740913 337567124 /nfs/dbraw/zinc/56/71/24/337567124.db2.gz FBRGAZSEWFZLPB-ZLDLUXBVSA-N 1 0 306.862 4.549 20 30 DJEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000320238734 337592594 /nfs/dbraw/zinc/59/25/94/337592594.db2.gz WCGDQPWRIPLBMH-HOTGVXAUSA-N 1 0 308.425 4.757 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850737 337769027 /nfs/dbraw/zinc/76/90/27/337769027.db2.gz KLRNHWXQSDVMPG-VOJFVSQTSA-N 1 0 314.791 4.689 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850731 337769051 /nfs/dbraw/zinc/76/90/51/337769051.db2.gz KLRNHWXQSDVMPG-ADLMAVQZSA-N 1 0 314.791 4.689 20 30 DJEDRO CC[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962032 337780260 /nfs/dbraw/zinc/78/02/60/337780260.db2.gz DJQCVFZCFJVNHV-ICSRJNTNSA-N 1 0 305.425 4.535 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000424325470 337821063 /nfs/dbraw/zinc/82/10/63/337821063.db2.gz KZHMCLHLMJVROS-LBRJOISOSA-N 1 0 322.374 4.623 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OCc2ccccc2)cc1 ZINC000424329104 337821609 /nfs/dbraw/zinc/82/16/09/337821609.db2.gz OZORGGMXRSZCMT-IMFGXOCKSA-N 1 0 320.436 4.608 20 30 DJEDRO COc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)ccc1F ZINC000090665005 337883851 /nfs/dbraw/zinc/88/38/51/337883851.db2.gz VJGFIVZTOXMNBS-KSSFIOAISA-N 1 0 312.388 4.530 20 30 DJEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1 ZINC000537217921 337924847 /nfs/dbraw/zinc/92/48/47/337924847.db2.gz ANRAZFPILVTYDK-FQEVSTJZSA-N 1 0 310.441 4.837 20 30 DJEDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000537289424 337928281 /nfs/dbraw/zinc/92/82/81/337928281.db2.gz WAFKLDLPNZEFDX-OAHLLOKOSA-N 1 0 308.450 4.534 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000514893429 337973502 /nfs/dbraw/zinc/97/35/02/337973502.db2.gz HNXDRDKDGLVHES-LEWJYISDSA-N 1 0 302.421 4.521 20 30 DJEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000426401758 338030824 /nfs/dbraw/zinc/03/08/24/338030824.db2.gz HARFFFGQYYQZPZ-QGZVFWFLSA-N 1 0 301.842 4.590 20 30 DJEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000429675271 338087189 /nfs/dbraw/zinc/08/71/89/338087189.db2.gz XBQXSKNJGMZGFP-MSOLQXFVSA-N 1 0 316.514 4.642 20 30 DJEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc2cc(OC)ccc2c1 ZINC000430722397 338112367 /nfs/dbraw/zinc/11/23/67/338112367.db2.gz GEBSGHJJDNQQCZ-IBGZPJMESA-N 1 0 308.425 4.583 20 30 DJEDRO Cc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c(C)c1 ZINC000430727236 338112521 /nfs/dbraw/zinc/11/25/21/338112521.db2.gz XTJQBUVLAXLRQP-HXUWFJFHSA-N 1 0 304.437 4.676 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000430733233 338112705 /nfs/dbraw/zinc/11/27/05/338112705.db2.gz DZLGSWQUKRSHON-MRXNPFEDSA-N 1 0 306.409 4.823 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430736441 338112774 /nfs/dbraw/zinc/11/27/74/338112774.db2.gz DNCKLMYQYWJEHV-CVEARBPZSA-N 1 0 322.374 4.625 20 30 DJEDRO Cc1ccc(C)c([C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c1 ZINC000430751008 338113601 /nfs/dbraw/zinc/11/36/01/338113601.db2.gz RKXJXNPUNYZIHJ-HXUWFJFHSA-N 1 0 304.437 4.676 20 30 DJEDRO CCCCCOc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430763078 338114088 /nfs/dbraw/zinc/11/40/88/338114088.db2.gz PFYUCUMAPZCDBD-MRXNPFEDSA-N 1 0 300.446 4.600 20 30 DJEDRO Cc1ccc(CCC[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433028344 338177297 /nfs/dbraw/zinc/17/72/97/338177297.db2.gz YUGJIZMGKLGSKN-NRFANRHFSA-N 1 0 306.453 4.952 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCSc1ccccc1)c1ccccc1 ZINC000433039783 338177739 /nfs/dbraw/zinc/17/77/39/338177739.db2.gz PLONGBJTLFGANE-IBGZPJMESA-N 1 0 310.466 4.803 20 30 DJEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433241979 338187487 /nfs/dbraw/zinc/18/74/87/338187487.db2.gz FOPCRURLOSLEOA-GFCCVEGCSA-N 1 0 302.780 4.544 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000436300589 338267453 /nfs/dbraw/zinc/26/74/53/338267453.db2.gz JYLNKOYRHOYGEK-SIIHOXLZSA-N 1 0 301.455 4.533 20 30 DJEDRO CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000436308817 338268324 /nfs/dbraw/zinc/26/83/24/338268324.db2.gz NNNLLBXMYSANHL-ZWOKBUDYSA-N 1 0 308.400 4.684 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000437758996 338320241 /nfs/dbraw/zinc/32/02/41/338320241.db2.gz CROMITGWVZERBA-HKBOAZHASA-N 1 0 304.437 4.957 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 ZINC000439078768 338360427 /nfs/dbraw/zinc/36/04/27/338360427.db2.gz OYSAXXBRMMRXDK-IBGZPJMESA-N 1 0 314.473 4.506 20 30 DJEDRO C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439437213 338369347 /nfs/dbraw/zinc/36/93/47/338369347.db2.gz YZEMLKZULZPWRM-GFCCVEGCSA-N 1 0 302.780 4.544 20 30 DJEDRO C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439437218 338369483 /nfs/dbraw/zinc/36/94/83/338369483.db2.gz YZEMLKZULZPWRM-LBPRGKRZSA-N 1 0 302.780 4.544 20 30 DJEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c(Cl)c1 ZINC000439441119 338369621 /nfs/dbraw/zinc/36/96/21/338369621.db2.gz PBMNDNKUTMJTQB-HNNXBMFYSA-N 1 0 302.830 4.610 20 30 DJEDRO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000440615849 338392478 /nfs/dbraw/zinc/39/24/78/338392478.db2.gz QAOLEPIVGRTWMU-LBPRGKRZSA-N 1 0 316.857 4.784 20 30 DJEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000441383886 338411189 /nfs/dbraw/zinc/41/11/89/338411189.db2.gz UGHRFWODWQZTBF-UHFFFAOYSA-N 1 0 315.219 4.552 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000442099839 338421330 /nfs/dbraw/zinc/42/13/30/338421330.db2.gz PLJPVEXRUBJLFR-HIFPTAJRSA-N 1 0 311.256 4.974 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000442113535 338421499 /nfs/dbraw/zinc/42/14/99/338421499.db2.gz XFPHNGMZMLHOCQ-AOMIVXANSA-N 1 0 318.464 4.890 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777740 338430579 /nfs/dbraw/zinc/43/05/79/338430579.db2.gz AAZFYUTWJSHOTL-MDASCCDHSA-N 1 0 310.828 4.711 20 30 DJEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(Oc2ccccc2)c1 ZINC000442796374 338432158 /nfs/dbraw/zinc/43/21/58/338432158.db2.gz VMSQJEXLQRPRDL-SJLPKXTDSA-N 1 0 306.409 4.569 20 30 DJEDRO CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442859937 338435511 /nfs/dbraw/zinc/43/55/11/338435511.db2.gz VXKORKIVKOLXEL-FAFZWHIHSA-N 1 0 316.514 4.723 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442863398 338435860 /nfs/dbraw/zinc/43/58/60/338435860.db2.gz CSTLZLLNTYGKDI-GDBMZVCRSA-N 1 0 322.374 4.625 20 30 DJEDRO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000442868707 338436452 /nfs/dbraw/zinc/43/64/52/338436452.db2.gz RCJFHSBIGSYMKO-JTTJXQCZSA-N 1 0 304.865 4.957 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000442875600 338437308 /nfs/dbraw/zinc/43/73/08/338437308.db2.gz PFQXHKCSYGBMPG-ALLBUHFWSA-N 1 0 312.432 4.681 20 30 DJEDRO CC[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447516906 338553643 /nfs/dbraw/zinc/55/36/43/338553643.db2.gz QNSOFZGEDPXRNM-UWJYYQICSA-N 1 0 322.452 4.767 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447531207 338554586 /nfs/dbraw/zinc/55/45/86/338554586.db2.gz QGEKMJMWHRLJLL-NHCUHLMSSA-N 1 0 312.501 4.501 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447531206 338554601 /nfs/dbraw/zinc/55/46/01/338554601.db2.gz QGEKMJMWHRLJLL-LEWJYISDSA-N 1 0 312.501 4.501 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(c1ccccc1)c1ccccc1 ZINC000447538122 338555249 /nfs/dbraw/zinc/55/52/49/338555249.db2.gz ALSDETQARZROAQ-WFXMLNOXSA-N 1 0 318.464 4.879 20 30 DJEDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539878 338555459 /nfs/dbraw/zinc/55/54/59/338555459.db2.gz HZNDKEWQDAROOZ-RTWAWAEBSA-N 1 0 320.436 4.759 20 30 DJEDRO CC[C@H]([NH2+]Cc1oc2ccc(F)cc2c1C)c1ccc(C#N)cc1 ZINC000447544703 338555829 /nfs/dbraw/zinc/55/58/29/338555829.db2.gz OXLWSIGKENNDQE-SFHVURJKSA-N 1 0 322.383 4.993 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000447560041 338556746 /nfs/dbraw/zinc/55/67/46/338556746.db2.gz BZXHWBCKHQAIRQ-XWIAVFTESA-N 1 0 302.849 4.853 20 30 DJEDRO CC[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1 ZINC000447582120 338559137 /nfs/dbraw/zinc/55/91/37/338559137.db2.gz YAQSFBKQQABJGK-UXHICEINSA-N 1 0 322.477 4.630 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000447585108 338559474 /nfs/dbraw/zinc/55/94/74/338559474.db2.gz IDUNAZQYZUTPML-JHVJFLLYSA-N 1 0 304.437 4.923 20 30 DJEDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000447587157 338559794 /nfs/dbraw/zinc/55/97/94/338559794.db2.gz PAWKNZFUXODKKX-ZACQAIPSSA-N 1 0 324.390 4.968 20 30 DJEDRO CC[C@H]([NH2+]CC1(CCOC)CCCCC1)c1ccc(C#N)cc1 ZINC000447592314 338560413 /nfs/dbraw/zinc/56/04/13/338560413.db2.gz KPGXSVUMQIXNBT-IBGZPJMESA-N 1 0 314.473 4.586 20 30 DJEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1OC(F)F ZINC000449079405 338591434 /nfs/dbraw/zinc/59/14/34/338591434.db2.gz YPRUAQRKRKGANT-DBQDNQAGSA-N 1 0 322.399 4.801 20 30 DJEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449176812 338599517 /nfs/dbraw/zinc/59/95/17/338599517.db2.gz NRSUJEFHSBZGBV-CRBFVWNYSA-N 1 0 300.421 4.511 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000449221813 338603706 /nfs/dbraw/zinc/60/37/06/338603706.db2.gz HHYBBVJCAOYXSC-LSDHHAIUSA-N 1 0 315.486 4.991 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449445313 338624756 /nfs/dbraw/zinc/62/47/56/338624756.db2.gz HYJCABIOCAEJLO-IKOXMDCHSA-N 1 0 308.878 4.565 20 30 DJEDRO Cc1ccccc1-c1ccccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446835 338624869 /nfs/dbraw/zinc/62/48/69/338624869.db2.gz UOWUZPMWVQHTGR-HKUYNNGSSA-N 1 0 304.437 4.834 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000449454589 338626199 /nfs/dbraw/zinc/62/61/99/338626199.db2.gz ZVPFJRMVDKLKCZ-MRXNPFEDSA-N 1 0 320.820 4.653 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000449771482 338651490 /nfs/dbraw/zinc/65/14/90/338651490.db2.gz JVFPQQQBJFIEGN-NVXWUHKLSA-N 1 0 304.865 4.896 20 30 DJEDRO CC1(C#N)CCC([NH2+]C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000453160351 338801081 /nfs/dbraw/zinc/80/10/81/338801081.db2.gz GHLONGGWMBVMNA-UHFFFAOYSA-N 1 0 302.849 4.781 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000453172958 338802565 /nfs/dbraw/zinc/80/25/65/338802565.db2.gz HKYBAARRCCVNIH-BFHRDPOASA-N 1 0 318.848 4.616 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(C2CC2)c1 ZINC000453247709 338813825 /nfs/dbraw/zinc/81/38/25/338813825.db2.gz OQCGRTBNVDWHJO-LHSJRXKWSA-N 1 0 302.421 4.774 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)ccc1F ZINC000453264541 338815974 /nfs/dbraw/zinc/81/59/74/338815974.db2.gz VWUGOVGTCVRMIS-OLZOCXBDSA-N 1 0 300.352 4.557 20 30 DJEDRO CC[C@H]([NH2+]C1CCC(CSC)CC1)c1ccc(C#N)cc1 ZINC000453268802 338816513 /nfs/dbraw/zinc/81/65/13/338816513.db2.gz KTZBHFKXBKYMRR-VJFUWPCTSA-N 1 0 302.487 4.521 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000453285693 338818733 /nfs/dbraw/zinc/81/87/33/338818733.db2.gz CRVJNALAGNQRLA-NBHGPNQESA-N 1 0 322.427 4.781 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000453287338 338819037 /nfs/dbraw/zinc/81/90/37/338819037.db2.gz FEVGQEXOAJYOHX-ZQIUZPCESA-N 1 0 310.466 4.951 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000453289784 338819334 /nfs/dbraw/zinc/81/93/34/338819334.db2.gz IXCBMMXWKGZWJQ-WBAXXEDZSA-N 1 0 302.849 4.853 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000453293836 338819839 /nfs/dbraw/zinc/81/98/39/338819839.db2.gz PZCYEVMRSGNAIT-SLEUVZQESA-N 1 0 306.862 4.549 20 30 DJEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(C(F)F)cc3)CC2)cc1 ZINC000461392839 339062790 /nfs/dbraw/zinc/06/27/90/339062790.db2.gz ZBDGLPUKJHZLOZ-UHFFFAOYSA-N 1 0 324.374 4.785 20 30 DJEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000462553743 339081289 /nfs/dbraw/zinc/08/12/89/339081289.db2.gz QJSSXUKKINGFII-PKOBYXMFSA-N 1 0 310.466 4.669 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CCC[C@H]1C)c1cccc(C#N)c1 ZINC000462842223 339093813 /nfs/dbraw/zinc/09/38/13/339093813.db2.gz XMIFERHVXSUJOJ-XFQAVAEZSA-N 1 0 304.437 4.923 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237131 339110952 /nfs/dbraw/zinc/11/09/52/339110952.db2.gz KFKBCVWRKZWVNS-LQWHRVPQSA-N 1 0 322.427 4.781 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236961 339111024 /nfs/dbraw/zinc/11/10/24/339111024.db2.gz KJRCUKKQRSARAR-ALKREAHSSA-N 1 0 300.421 4.729 20 30 DJEDRO CC(C)(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000463239238 339111170 /nfs/dbraw/zinc/11/11/70/339111170.db2.gz VBMADKFRNDCPHQ-DXCKQFNASA-N 1 0 306.400 4.724 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000463281385 339113064 /nfs/dbraw/zinc/11/30/64/339113064.db2.gz HGLQYOBAUFWCTM-CCKFTAQKSA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288813 339113500 /nfs/dbraw/zinc/11/35/00/339113500.db2.gz QDGMLEPOCUFASN-HFAKWTLXSA-N 1 0 309.240 4.653 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000463290528 339113614 /nfs/dbraw/zinc/11/36/14/339113614.db2.gz KGGVUOJSPNEKDU-IAGOWNOFSA-N 1 0 314.498 4.763 20 30 DJEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000463298601 339114044 /nfs/dbraw/zinc/11/40/44/339114044.db2.gz DOMKWULITBTEHZ-YLJYHZDGSA-N 1 0 320.436 4.534 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760411 339151509 /nfs/dbraw/zinc/15/15/09/339151509.db2.gz GZKRNSGMGHBDCY-FUHWJXTLSA-N 1 0 322.477 4.733 20 30 DJEDRO C=C(C)C[C@H](C)C(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000466661842 339212256 /nfs/dbraw/zinc/21/22/56/339212256.db2.gz SIQFVPJQRCJVFQ-INIZCTEOSA-N 1 0 322.537 4.527 20 30 DJEDRO C=C(C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1)c1ccccc1 ZINC000467338475 339232345 /nfs/dbraw/zinc/23/23/45/339232345.db2.gz ZSBNOHHAFWOMKV-WOJBJXKFSA-N 1 0 306.453 4.719 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cc2ccccc2o1 ZINC000467375091 339235090 /nfs/dbraw/zinc/23/50/90/339235090.db2.gz BAISLWRYIRIRRG-STQMWFEESA-N 1 0 308.356 4.855 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc(C#N)c(F)c1 ZINC000467375090 339235163 /nfs/dbraw/zinc/23/51/63/339235163.db2.gz BAISLWRYIRIRRG-OLZOCXBDSA-N 1 0 308.356 4.855 20 30 DJEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000467409887 339236994 /nfs/dbraw/zinc/23/69/94/339236994.db2.gz BHBFTCWYMCNCCY-TZMCWYRMSA-N 1 0 301.352 4.633 20 30 DJEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000467417282 339237526 /nfs/dbraw/zinc/23/75/26/339237526.db2.gz KGLIHRNBYLNGTD-NVXWUHKLSA-N 1 0 317.477 4.566 20 30 DJEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000467421566 339237694 /nfs/dbraw/zinc/23/76/94/339237694.db2.gz YGKOGYAAQBFDOA-XIRDDKMYSA-N 1 0 308.400 4.603 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476282 339263698 /nfs/dbraw/zinc/26/36/98/339263698.db2.gz SBTLPHXCZLXPSG-IOASZLSFSA-N 1 0 311.256 4.911 20 30 DJEDRO N#Cc1cccc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469446372 339289613 /nfs/dbraw/zinc/28/96/13/339289613.db2.gz NYKAPTNFUHVNKH-UHFFFAOYSA-N 1 0 324.374 4.516 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469563524 339293290 /nfs/dbraw/zinc/29/32/90/339293290.db2.gz JQHPHSZZGYJYGJ-UHFFFAOYSA-N 1 0 310.844 4.676 20 30 DJEDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000469759857 339298099 /nfs/dbraw/zinc/29/80/99/339298099.db2.gz DYXUFOYAIVHGBV-INIZCTEOSA-N 1 0 322.452 4.691 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000471582155 339348059 /nfs/dbraw/zinc/34/80/59/339348059.db2.gz SZEQHXZEXGEODL-RCBQFDQVSA-N 1 0 310.363 4.684 20 30 DJEDRO Cc1cccc(C([NH2+][C@@H]2CC[C@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597778 339348732 /nfs/dbraw/zinc/34/87/32/339348732.db2.gz HGYUOQLEMSHBFC-FXAWDEMLSA-N 1 0 304.437 4.675 20 30 DJEDRO Cc1ccc(SC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000471600722 339348999 /nfs/dbraw/zinc/34/89/99/339348999.db2.gz DMBRMNWNTJMDOF-JKSUJKDBSA-N 1 0 310.466 4.698 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606612 339349149 /nfs/dbraw/zinc/34/91/49/339349149.db2.gz OIPQYUNDIBSKGX-LSTHTHJFSA-N 1 0 324.855 4.906 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471611826 339349525 /nfs/dbraw/zinc/34/95/25/339349525.db2.gz RKHIBOGBCYEGGW-GLQYFDAESA-N 1 0 311.256 4.596 20 30 DJEDRO CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000472126188 339363609 /nfs/dbraw/zinc/36/36/09/339363609.db2.gz MNRTUUIIJBUDHI-RTBURBONSA-N 1 0 319.452 4.626 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155456 339364675 /nfs/dbraw/zinc/36/46/75/339364675.db2.gz LVWSVIWZJHWZCS-IRXDYDNUSA-N 1 0 308.450 4.620 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155454 339364690 /nfs/dbraw/zinc/36/46/90/339364690.db2.gz LVWSVIWZJHWZCS-IAGOWNOFSA-N 1 0 308.450 4.620 20 30 DJEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000474056672 339399609 /nfs/dbraw/zinc/39/96/09/339399609.db2.gz LSIDVFCIERRLFI-VBKZILBWSA-N 1 0 320.436 4.640 20 30 DJEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000474056677 339399633 /nfs/dbraw/zinc/39/96/33/339399633.db2.gz LSIDVFCIERRLFI-VLIAUNLRSA-N 1 0 320.436 4.640 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000474481109 339416936 /nfs/dbraw/zinc/41/69/36/339416936.db2.gz UFBSLQNGSJGZOJ-QJRTVWDNSA-N 1 0 324.390 4.966 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccc(OCC)c(F)c1)c1ccco1 ZINC000476012756 339467454 /nfs/dbraw/zinc/46/74/54/339467454.db2.gz QHELWWSACWDTDW-INIZCTEOSA-N 1 0 303.377 4.615 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000479485842 339537637 /nfs/dbraw/zinc/53/76/37/339537637.db2.gz DXJMDEVMKZBMNF-ADLFWFRXSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000479528792 339539529 /nfs/dbraw/zinc/53/95/29/339539529.db2.gz OXOZMKSEDBRYSO-ADLFWFRXSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000479535712 339539847 /nfs/dbraw/zinc/53/98/47/339539847.db2.gz ANPSMAJCTFSCAK-IXDGSTSKSA-N 1 0 310.828 4.808 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000479534421 339539874 /nfs/dbraw/zinc/53/98/74/339539874.db2.gz WPINGXZTQXGSGC-BOUXLOLZSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccc2ccccc2c1OC(F)F ZINC000482438663 339631432 /nfs/dbraw/zinc/63/14/32/339631432.db2.gz MWZGHACBUJZWCT-ZDUSSCGKSA-N 1 0 318.367 4.786 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000482629455 339638027 /nfs/dbraw/zinc/63/80/27/339638027.db2.gz NJPRYNUWLCRJIB-QGZVFWFLSA-N 1 0 300.490 4.501 20 30 DJEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483637515 339670267 /nfs/dbraw/zinc/67/02/67/339670267.db2.gz HTDYIPJHXBXUCZ-HIFRSBDPSA-N 1 0 317.408 4.580 20 30 DJEDRO C=CC[NH2+][C@H](c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1 ZINC000486151697 339722179 /nfs/dbraw/zinc/72/21/79/339722179.db2.gz VHNWOZZALNACJP-KRWDZBQOSA-N 1 0 321.342 4.579 20 30 DJEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000495401023 339982924 /nfs/dbraw/zinc/98/29/24/339982924.db2.gz IEFREBMNMJNVQQ-IRXDYDNUSA-N 1 0 306.453 4.770 20 30 DJEDRO CC(C)C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccs1 ZINC000499625389 340041434 /nfs/dbraw/zinc/04/14/34/340041434.db2.gz LJNFHEGQCCLQHY-MRXNPFEDSA-N 1 0 320.502 4.525 20 30 DJEDRO CC(C)(C#N)CC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500174628 340052056 /nfs/dbraw/zinc/05/20/56/340052056.db2.gz WYXLAMURVGBVKZ-UHFFFAOYSA-N 1 0 308.828 4.540 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000501238079 340076893 /nfs/dbraw/zinc/07/68/93/340076893.db2.gz XRELQYGCJQMFGM-OAQYLSRUSA-N 1 0 320.436 4.588 20 30 DJEDRO C[C@@H](c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513185 340106573 /nfs/dbraw/zinc/10/65/73/340106573.db2.gz WNLKBJZZIMLMMO-HNNXBMFYSA-N 1 0 306.384 4.548 20 30 DJEDRO C[C@@H](c1ccccc1F)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531604 340107008 /nfs/dbraw/zinc/10/70/08/340107008.db2.gz QFOZPHJHAMLJRT-HNNXBMFYSA-N 1 0 306.384 4.548 20 30 DJEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000502953185 340117519 /nfs/dbraw/zinc/11/75/19/340117519.db2.gz PQFSUHVSLLTFTA-LJQANCHMSA-N 1 0 302.437 4.586 20 30 DJEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC(C)(C#N)CC1 ZINC000503559905 340130484 /nfs/dbraw/zinc/13/04/84/340130484.db2.gz OHZYGJVBCRXKQR-KAMYIIQDSA-N 1 0 322.374 4.734 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)cc1F ZINC000506221799 340189166 /nfs/dbraw/zinc/18/91/66/340189166.db2.gz VWYBSPQPPATYEE-ADLMAVQZSA-N 1 0 314.791 4.689 20 30 DJEDRO C=CCOc1cccc(C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000506314623 340192055 /nfs/dbraw/zinc/19/20/55/340192055.db2.gz LXXXYJAFJLOXLV-UHFFFAOYSA-N 1 0 307.437 4.811 20 30 DJEDRO N#Cc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)s1 ZINC000506394538 340194063 /nfs/dbraw/zinc/19/40/63/340194063.db2.gz JHKRBSZIXZDYKR-UHFFFAOYSA-N 1 0 314.841 4.562 20 30 DJEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000507206933 340213349 /nfs/dbraw/zinc/21/33/49/340213349.db2.gz ASJOBRNAQOFYAH-LLVKDONJSA-N 1 0 324.371 4.832 20 30 DJEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000507362329 340218081 /nfs/dbraw/zinc/21/80/81/340218081.db2.gz YEEONVIMEHMJFS-NSHDSACASA-N 1 0 324.371 4.832 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000507602517 340226050 /nfs/dbraw/zinc/22/60/50/340226050.db2.gz QQXCGDXXMPMXCF-YFHOEESVSA-N 1 0 316.448 4.694 20 30 DJEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507615747 340226375 /nfs/dbraw/zinc/22/63/75/340226375.db2.gz AXKBDOMIFHWPFH-KGLIPLIRSA-N 1 0 313.894 4.595 20 30 DJEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCO[C@H](CC)C1 ZINC000507615749 340226410 /nfs/dbraw/zinc/22/64/10/340226410.db2.gz AXKBDOMIFHWPFH-UONOGXRCSA-N 1 0 313.894 4.595 20 30 DJEDRO C[C@H](Cc1cccs1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507652081 340227297 /nfs/dbraw/zinc/22/72/97/340227297.db2.gz HLFSICHPWHIIMB-PPDQVPDSSA-N 1 0 324.493 4.673 20 30 DJEDRO N#Cc1csc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000508009074 340237316 /nfs/dbraw/zinc/23/73/16/340237316.db2.gz NHVSRSDWCDCYTL-LJQANCHMSA-N 1 0 308.450 4.662 20 30 DJEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000508607686 340247984 /nfs/dbraw/zinc/24/79/84/340247984.db2.gz BWACDZNJLWCCOD-INIZCTEOSA-N 1 0 308.425 4.540 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ncccc2c1 ZINC000508618139 340248382 /nfs/dbraw/zinc/24/83/82/340248382.db2.gz IZXKXMHQNAOHJB-UHFFFAOYSA-N 1 0 315.420 4.519 20 30 DJEDRO C=C(C)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000510954203 340316134 /nfs/dbraw/zinc/31/61/34/340316134.db2.gz WAEDWIRWOFLIDG-UHFFFAOYSA-N 1 0 323.465 4.609 20 30 DJEDRO CSc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000511116057 340321370 /nfs/dbraw/zinc/32/13/70/340321370.db2.gz PQHWNUSFUVRNSJ-RBUKOAKNSA-N 1 0 322.477 4.680 20 30 DJEDRO CC[N@H+](CCSc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000303538386 340331644 /nfs/dbraw/zinc/33/16/44/340331644.db2.gz JAQBWQQNPGRKJV-INIZCTEOSA-N 1 0 310.466 4.733 20 30 DJEDRO N#CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511842188 340339935 /nfs/dbraw/zinc/33/99/35/340339935.db2.gz GEIAUVWGQZFKDU-VSKRKVRLSA-N 1 0 316.448 4.521 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511895669 340342230 /nfs/dbraw/zinc/34/22/30/340342230.db2.gz YEFVTTLVGDDJBY-XUVXKRRUSA-N 1 0 310.485 4.975 20 30 DJEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2c1 ZINC000512192364 340351709 /nfs/dbraw/zinc/35/17/09/340351709.db2.gz DTWAONCWFQIHEU-UHFFFAOYSA-N 1 0 321.420 4.503 20 30 DJEDRO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000512224469 340353074 /nfs/dbraw/zinc/35/30/74/340353074.db2.gz IQBZOARKXBDJSX-HKUYNNGSSA-N 1 0 314.473 4.675 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)s1 ZINC000512616383 340369278 /nfs/dbraw/zinc/36/92/78/340369278.db2.gz ASWFGRUYEDCQAJ-VXGBXAGGSA-N 1 0 302.418 4.788 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCCC2 ZINC000512625399 340369662 /nfs/dbraw/zinc/36/96/62/340369662.db2.gz NXZWNFZSJULXIX-CABCVRRESA-N 1 0 322.427 4.988 20 30 DJEDRO C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512628984 340369807 /nfs/dbraw/zinc/36/98/07/340369807.db2.gz HHJMXCGMSUXLGC-GHMZBOCLSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(C#N)cc1F ZINC000512653856 340371110 /nfs/dbraw/zinc/37/11/10/340371110.db2.gz HKFGQWAYZFSEJU-CWTRNNRKSA-N 1 0 312.363 4.565 20 30 DJEDRO Cc1[nH]c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)cc2c1C ZINC000512654435 340371226 /nfs/dbraw/zinc/37/12/26/340371226.db2.gz MGHXEKQFCSJXSM-CQSZACIVSA-N 1 0 321.399 4.646 20 30 DJEDRO C[C@@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(C#N)cc1F ZINC000512661605 340371756 /nfs/dbraw/zinc/37/17/56/340371756.db2.gz SXOLYPIZLKFAJB-DIFFPNOSSA-N 1 0 300.402 4.561 20 30 DJEDRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc(C#N)cc1F ZINC000512665141 340371890 /nfs/dbraw/zinc/37/18/90/340371890.db2.gz DRIGBMXDHZGYSJ-UONOGXRCSA-N 1 0 314.429 4.529 20 30 DJEDRO C[C@@H](c1ccccc1Br)[N@H+](C)CCCC(C)(C)C#N ZINC000174835365 340397207 /nfs/dbraw/zinc/39/72/07/340397207.db2.gz CEWBCSYCUVUYRF-ZDUSSCGKSA-N 1 0 323.278 4.772 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000174866293 340397958 /nfs/dbraw/zinc/39/79/58/340397958.db2.gz KUPQZDZCWNWLPF-INIZCTEOSA-N 1 0 322.905 4.760 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1F ZINC000404842966 340416978 /nfs/dbraw/zinc/41/69/78/340416978.db2.gz NHBGSNRAWAVFLI-CQSZACIVSA-N 1 0 320.820 4.579 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1F ZINC000404842959 340416994 /nfs/dbraw/zinc/41/69/94/340416994.db2.gz NHBGSNRAWAVFLI-AWEZNQCLSA-N 1 0 320.820 4.579 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccco1 ZINC000513671306 340418541 /nfs/dbraw/zinc/41/85/41/340418541.db2.gz BUPPEZBDXXXZQQ-OAHLLOKOSA-N 1 0 320.230 4.839 20 30 DJEDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000191029143 340549227 /nfs/dbraw/zinc/54/92/27/340549227.db2.gz ZCRZAGCWUHSSTF-MRXNPFEDSA-N 1 0 308.425 4.506 20 30 DJEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000191260403 340551845 /nfs/dbraw/zinc/55/18/45/340551845.db2.gz RRBNTHZVOCOBTK-ZDUSSCGKSA-N 1 0 308.356 4.603 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000192149825 340563187 /nfs/dbraw/zinc/56/31/87/340563187.db2.gz ZTNUCBFAANAHIU-KRWDZBQOSA-N 1 0 302.780 4.592 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000538216731 340813765 /nfs/dbraw/zinc/81/37/65/340813765.db2.gz QKWXTOQELFZAJI-HXUWFJFHSA-N 1 0 322.452 4.726 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000538393896 340820471 /nfs/dbraw/zinc/82/04/71/340820471.db2.gz UQPPPPCJPLSLQF-PJSUUKDQSA-N 1 0 308.400 4.672 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1cccc(C#N)c1 ZINC000538396841 340821017 /nfs/dbraw/zinc/82/10/17/340821017.db2.gz FGHDVHMXEHKLMP-HNNXBMFYSA-N 1 0 302.377 4.669 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1Cl ZINC000539288505 340879540 /nfs/dbraw/zinc/87/95/40/340879540.db2.gz KKLRFCSOORAOBW-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000539317163 340880625 /nfs/dbraw/zinc/88/06/25/340880625.db2.gz QEAFNPRUJDCMHJ-UHFFFAOYSA-N 1 0 322.452 4.618 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000539606365 340892211 /nfs/dbraw/zinc/89/22/11/340892211.db2.gz BSGVCKUXBPQLSF-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000540523677 340934922 /nfs/dbraw/zinc/93/49/22/340934922.db2.gz WYXCRKPELSMHCE-ZNOIYHFQSA-N 1 0 310.828 4.699 20 30 DJEDRO C=C(C)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000542575484 341014423 /nfs/dbraw/zinc/01/44/23/341014423.db2.gz JWTKCJOEDLUAKK-NSHDSACASA-N 1 0 306.862 4.999 20 30 DJEDRO CC1(C)Cc2cccc(CN[C@H](CCC#N)c3ccccc3)c2O1 ZINC000130548831 341027708 /nfs/dbraw/zinc/02/77/08/341027708.db2.gz ZNYYELVEYLIVNX-LJQANCHMSA-N 1 0 320.436 4.535 20 30 DJEDRO N#CCc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)cc1 ZINC000543136926 341033525 /nfs/dbraw/zinc/03/35/25/341033525.db2.gz CVMCXRWJBJXJFR-UHFFFAOYSA-N 1 0 304.437 4.702 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183257 341035635 /nfs/dbraw/zinc/03/56/35/341035635.db2.gz LRLDXWJONRIPRG-UAOJZALGSA-N 1 0 324.855 4.893 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183258 341035756 /nfs/dbraw/zinc/03/57/56/341035756.db2.gz LRLDXWJONRIPRG-VOBQZIQPSA-N 1 0 324.855 4.893 20 30 DJEDRO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000543207693 341036940 /nfs/dbraw/zinc/03/69/40/341036940.db2.gz IAASNVQDXNXWOL-HXUWFJFHSA-N 1 0 308.400 4.619 20 30 DJEDRO C=CCCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000543515522 341048286 /nfs/dbraw/zinc/04/82/86/341048286.db2.gz XTJLFTRHUPILPP-LBPRGKRZSA-N 1 0 304.434 4.874 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602134 341050730 /nfs/dbraw/zinc/05/07/30/341050730.db2.gz GRCFCZKRSJWTIA-BFUOFWGJSA-N 1 0 310.828 4.940 20 30 DJEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000543779932 341058442 /nfs/dbraw/zinc/05/84/42/341058442.db2.gz JIPCRIBBAGFHAC-UHFFFAOYSA-N 1 0 314.816 4.726 20 30 DJEDRO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCCC#N)c1 ZINC000544125421 341071210 /nfs/dbraw/zinc/07/12/10/341071210.db2.gz IEMWAMNBPICOQB-RTWAWAEBSA-N 1 0 320.436 4.530 20 30 DJEDRO N#CCCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000544384905 341079530 /nfs/dbraw/zinc/07/95/30/341079530.db2.gz GOBPWKWEUOBZFY-SFHVURJKSA-N 1 0 316.807 4.656 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000544826880 341094998 /nfs/dbraw/zinc/09/49/98/341094998.db2.gz HMLIIUGSXOMZRY-KDOFPFPSSA-N 1 0 300.833 4.573 20 30 DJEDRO COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](C)c2cccc(C)c2)cc1 ZINC000546308617 341162580 /nfs/dbraw/zinc/16/25/80/341162580.db2.gz NKKRVHWSUXXFDS-LAUBAEHRSA-N 1 0 322.452 4.742 20 30 DJEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000546581298 341173483 /nfs/dbraw/zinc/17/34/83/341173483.db2.gz NZWOWLZEEUVGFA-AWEZNQCLSA-N 1 0 304.846 4.850 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000547512687 341219429 /nfs/dbraw/zinc/21/94/29/341219429.db2.gz AZAGSRHVNDRQPO-GOSISDBHSA-N 1 0 305.343 4.819 20 30 DJEDRO C=CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000547749540 341230214 /nfs/dbraw/zinc/23/02/14/341230214.db2.gz JQSGMPHTHXOPAJ-LBPRGKRZSA-N 1 0 311.269 4.865 20 30 DJEDRO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549227190 341289106 /nfs/dbraw/zinc/28/91/06/341289106.db2.gz TYEXLTJMJBMFRS-MXWWQKGMSA-N 1 0 308.400 4.542 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000549997610 341308394 /nfs/dbraw/zinc/30/83/94/341308394.db2.gz NHSWYEIGSTUNIN-ZCPGHIKRSA-N 1 0 322.374 4.623 20 30 DJEDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000550832065 341324100 /nfs/dbraw/zinc/32/41/00/341324100.db2.gz AOIGLGSDTDTKIV-RXVVDRJESA-N 1 0 306.453 4.951 20 30 DJEDRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1(CC#N)CC1 ZINC000550932944 341327064 /nfs/dbraw/zinc/32/70/64/341327064.db2.gz YXCYABJLTVSZDJ-HNNXBMFYSA-N 1 0 309.457 4.508 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000551007123 341329013 /nfs/dbraw/zinc/32/90/13/341329013.db2.gz LKTHVHWGSQRBBJ-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO CC(C)(C)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000551230158 341334503 /nfs/dbraw/zinc/33/45/03/341334503.db2.gz NIYDAXUBFCCLSS-UHFFFAOYSA-N 1 0 310.466 4.696 20 30 DJEDRO CCCOc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551816527 341352879 /nfs/dbraw/zinc/35/28/79/341352879.db2.gz AELINUYDRIOGFJ-INIZCTEOSA-N 1 0 320.436 4.687 20 30 DJEDRO C=CCC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccco1 ZINC000552047039 341364889 /nfs/dbraw/zinc/36/48/89/341364889.db2.gz YKZRVFNKZPTRDK-IBGZPJMESA-N 1 0 310.441 4.546 20 30 DJEDRO CC[N@H+](Cc1ccc(C#N)o1)C(c1ccccc1)c1ccccc1 ZINC000552102416 341370075 /nfs/dbraw/zinc/37/00/75/341370075.db2.gz FVINDHHZGFKTIU-UHFFFAOYSA-N 1 0 316.404 4.763 20 30 DJEDRO C[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000552311974 341385702 /nfs/dbraw/zinc/38/57/02/341385702.db2.gz KNOBEBUSEANXKJ-JXFKEZNVSA-N 1 0 310.416 4.954 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2cccc(OC)c2)cc1 ZINC000552322782 341386389 /nfs/dbraw/zinc/38/63/89/341386389.db2.gz YNLFJVRVBALRBA-FQEVSTJZSA-N 1 0 311.425 4.501 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038854 341392572 /nfs/dbraw/zinc/39/25/72/341392572.db2.gz UEPKTYMUKMWSKN-XPGWFJOJSA-N 1 0 308.400 4.587 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 ZINC000552970667 341411206 /nfs/dbraw/zinc/41/12/06/341411206.db2.gz ZBYQXZPGVTWEMF-BFUOFWGJSA-N 1 0 310.828 4.940 20 30 DJEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(OCc2ccccc2)c1 ZINC000553906806 341438325 /nfs/dbraw/zinc/43/83/25/341438325.db2.gz IIJCXZSLCINDKQ-QGZVFWFLSA-N 1 0 322.452 4.856 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-c3ccccc3)o1)CC2 ZINC000564431292 341501674 /nfs/dbraw/zinc/50/16/74/341501674.db2.gz BZLNUNVKDXCBJR-FQEVSTJZSA-N 1 0 314.388 4.595 20 30 DJEDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC#N ZINC000565625406 341533171 /nfs/dbraw/zinc/53/31/71/341533171.db2.gz IXWLDWWXBHCGMZ-OAHLLOKOSA-N 1 0 312.379 4.556 20 30 DJEDRO CCCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000567224689 341589548 /nfs/dbraw/zinc/58/95/48/341589548.db2.gz RDJGAWYKQBEWQH-MRXNPFEDSA-N 1 0 302.462 4.846 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CC2 ZINC000573452805 341728931 /nfs/dbraw/zinc/72/89/31/341728931.db2.gz YHZDKAOAUVAGLV-FCHUYYIVSA-N 1 0 316.448 4.946 20 30 DJEDRO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000573525733 341730868 /nfs/dbraw/zinc/73/08/68/341730868.db2.gz GKGBQCWXHGXSFJ-HNNXBMFYSA-N 1 0 318.420 4.912 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccccc1 ZINC000577049215 341880801 /nfs/dbraw/zinc/88/08/01/341880801.db2.gz MBXGFGWDQOLATL-IOJLRTSASA-N 1 0 312.457 4.503 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000577320047 341904023 /nfs/dbraw/zinc/90/40/23/341904023.db2.gz CFXGLFPFFTWGQI-GFCCVEGCSA-N 1 0 319.235 4.910 20 30 DJEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1Cl ZINC000177703348 341924205 /nfs/dbraw/zinc/92/42/05/341924205.db2.gz BQAUPHRMFUDCBT-VIFPVBQESA-N 1 0 311.237 4.777 20 30 DJEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(-c2cccnc2)cc1 ZINC000177709129 341924592 /nfs/dbraw/zinc/92/45/92/341924592.db2.gz JQZTTYYGZWDSOI-AWEZNQCLSA-N 1 0 319.433 4.533 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839312 525692139 /nfs/dbraw/zinc/69/21/39/525692139.db2.gz JPJGHXMOXGAION-HSMVNMDESA-N 1 0 314.479 4.896 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130431291 525695229 /nfs/dbraw/zinc/69/52/29/525695229.db2.gz JPJGHXMOXGAION-OZVIIMIRSA-N 1 0 314.479 4.896 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000078973538 185138104 /nfs/dbraw/zinc/13/81/04/185138104.db2.gz SGLCAODVSBBAEX-QWHCGFSZSA-N 1 0 316.351 4.571 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)cc1 ZINC000035252876 331490375 /nfs/dbraw/zinc/49/03/75/331490375.db2.gz ZSHKFSGEEGXAKQ-AWEZNQCLSA-N 1 0 301.455 4.781 20 30 DJEDRO CC[C@@H]([NH2+]Cc1nc(C(C)C)c(C)s1)c1ccc(C#N)cc1 ZINC000447529544 331513662 /nfs/dbraw/zinc/51/36/62/331513662.db2.gz LSRJMDUHOXGSSB-MRXNPFEDSA-N 1 0 313.470 4.688 20 30 DJEDRO C[C@H]([NH2+]CCCSc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000538393995 331513991 /nfs/dbraw/zinc/51/39/91/331513991.db2.gz JZQQAXQBXJHCQW-AWEZNQCLSA-N 1 0 314.429 4.530 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]Cc1c2ccccc2oc1CC ZINC000521378283 331557137 /nfs/dbraw/zinc/55/71/37/331557137.db2.gz BWHCJMJCIBIPJF-UHFFFAOYSA-N 1 0 321.420 4.850 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950188 331564974 /nfs/dbraw/zinc/56/49/74/331564974.db2.gz MAQMSDFKNSDCKL-PMACEKPBSA-N 1 0 307.437 4.980 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1 ZINC000556914672 331753265 /nfs/dbraw/zinc/75/32/65/331753265.db2.gz AUFTUOMCVLEBLX-GFCCVEGCSA-N 1 0 307.846 4.817 20 30 DJEDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)ccc1C#N ZINC000564434497 331788315 /nfs/dbraw/zinc/78/83/15/331788315.db2.gz YBCDFEGSQXJQET-VQTJNVASSA-N 1 0 320.436 4.541 20 30 DJEDRO COc1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)ccc1C#N ZINC000564438561 331809914 /nfs/dbraw/zinc/80/99/14/331809914.db2.gz KSXICXQMTUAWJY-OAQYLSRUSA-N 1 0 320.436 4.506 20 30 DJEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000558086534 331861657 /nfs/dbraw/zinc/86/16/57/331861657.db2.gz DRZFPAZHKBGBJV-OAHLLOKOSA-N 1 0 308.400 4.513 20 30 DJEDRO C[C@H]([NH2+]CCCC#N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000558506304 331914351 /nfs/dbraw/zinc/91/43/51/331914351.db2.gz YYJVBWQTLUUENB-ZDUSSCGKSA-N 1 0 300.352 4.586 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1OCc1ccccc1 ZINC000559146790 331982114 /nfs/dbraw/zinc/98/21/14/331982114.db2.gz FHGFFUFBCBZHPE-QRQLOZEOSA-N 1 0 320.436 4.608 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000090665753 332092577 /nfs/dbraw/zinc/09/25/77/332092577.db2.gz YVJVGVJNIGJQGD-UGSOOPFHSA-N 1 0 300.352 4.660 20 30 DJEDRO CC[N@H+](CCCCC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000410333061 332113609 /nfs/dbraw/zinc/11/36/09/332113609.db2.gz OQMPSGDEEGMQAZ-KRWDZBQOSA-N 1 0 314.473 4.538 20 30 DJEDRO CC(C)(CCC#N)CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000091953091 332115623 /nfs/dbraw/zinc/11/56/23/332115623.db2.gz GJFAWAKHLKDPOL-UHFFFAOYSA-N 1 0 315.848 4.509 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1F ZINC000584282325 332210498 /nfs/dbraw/zinc/21/04/98/332210498.db2.gz ZEWSEVNXWXLARP-GFCCVEGCSA-N 1 0 318.342 4.660 20 30 DJEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccn2)cc1 ZINC000152419109 332286642 /nfs/dbraw/zinc/28/66/42/332286642.db2.gz GMAMGVGVUTXFKX-LSDHHAIUSA-N 1 0 316.832 4.625 20 30 DJEDRO Cc1ccc2ccccc2c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560173869 332317030 /nfs/dbraw/zinc/31/70/30/332317030.db2.gz FXTSBFPTUMJWHD-UHFFFAOYSA-N 1 0 312.416 4.799 20 30 DJEDRO N#Cc1csc(C[NH2+]Cc2ccc(C3CCCCC3)cc2)c1 ZINC000560542719 332355627 /nfs/dbraw/zinc/35/56/27/332355627.db2.gz ILLJDLQUWLTWIM-UHFFFAOYSA-N 1 0 310.466 4.957 20 30 DJEDRO N#Cc1ccccc1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000560599417 332367581 /nfs/dbraw/zinc/36/75/81/332367581.db2.gz DURZBGWNLCCBCW-OAQYLSRUSA-N 1 0 302.421 4.600 20 30 DJEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000237845557 332394907 /nfs/dbraw/zinc/39/49/07/332394907.db2.gz BBIWSBIBPNWSHG-UHFFFAOYSA-N 1 0 313.828 4.684 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000561139557 332416316 /nfs/dbraw/zinc/41/63/16/332416316.db2.gz DTMYKDSELTVUAI-QRQCRPRQSA-N 1 0 316.448 4.775 20 30 DJEDRO CC[C@H](C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000569822846 332683258 /nfs/dbraw/zinc/68/32/58/332683258.db2.gz VPUINAPZZXSMOJ-HRAATJIYSA-N 1 0 321.468 4.954 20 30 DJEDRO CC(C)Oc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000572742636 332698646 /nfs/dbraw/zinc/69/86/46/332698646.db2.gz GGISVHLLJVXGEE-INIZCTEOSA-N 1 0 320.436 4.685 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000318430454 332721864 /nfs/dbraw/zinc/72/18/64/332721864.db2.gz WFXZQHVRLALGQZ-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000462541728 332977637 /nfs/dbraw/zinc/97/76/37/332977637.db2.gz HDYWUEJRQNQZGK-MJGOQNOKSA-N 1 0 310.466 4.669 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000182421112 333040408 /nfs/dbraw/zinc/04/04/08/333040408.db2.gz FVHPJIPYLXFQHU-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1 ZINC000580303231 333081718 /nfs/dbraw/zinc/08/17/18/333081718.db2.gz MSCFDPGPGGKMMC-QWFCFKBJSA-N 1 0 311.425 4.654 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccc1OCc1ccccc1 ZINC000178642763 333141664 /nfs/dbraw/zinc/14/16/64/333141664.db2.gz FSYALFLRTHAMQY-QGZVFWFLSA-N 1 0 308.425 4.610 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540456 333162905 /nfs/dbraw/zinc/16/29/05/333162905.db2.gz WPRZOTFAYAZAPF-IERDGZPVSA-N 1 0 320.436 4.626 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540402 333162907 /nfs/dbraw/zinc/16/29/07/333162907.db2.gz WPRZOTFAYAZAPF-HRAATJIYSA-N 1 0 320.436 4.626 20 30 DJEDRO Cc1sc([C@H](C)[NH2+]CCCC#N)nc1-c1ccc(Cl)cc1 ZINC000184948296 333202842 /nfs/dbraw/zinc/20/28/42/333202842.db2.gz WKJNMUDVOLXNAX-NSHDSACASA-N 1 0 319.861 4.726 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccccc1OC ZINC000390348280 333270288 /nfs/dbraw/zinc/27/02/88/333270288.db2.gz XXSQXNHTKBGSKO-SFHVURJKSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)cc1 ZINC000020015719 333305317 /nfs/dbraw/zinc/30/53/17/333305317.db2.gz FOWAEJHFKRJXQJ-AWEZNQCLSA-N 1 0 301.817 4.756 20 30 DJEDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(C#N)c1)CCS2 ZINC000186987738 333383221 /nfs/dbraw/zinc/38/32/21/333383221.db2.gz GSQSCBKDYWNRQN-GOSISDBHSA-N 1 0 308.450 4.502 20 30 DJEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000338446090 333487990 /nfs/dbraw/zinc/48/79/90/333487990.db2.gz RLDVCWSEEJZXHV-BEFAXECRSA-N 1 0 312.844 4.906 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000411723035 333703768 /nfs/dbraw/zinc/70/37/68/333703768.db2.gz WAPZSKCNLOZJDB-KCXAZCMYSA-N 1 0 310.363 4.623 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000411723030 333703840 /nfs/dbraw/zinc/70/38/40/333703840.db2.gz WAPZSKCNLOZJDB-DAXOMENPSA-N 1 0 310.363 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000436291968 333918441 /nfs/dbraw/zinc/91/84/41/333918441.db2.gz AZVOCOXFQGMYDW-NRUUGDAUSA-N 1 0 320.285 4.687 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1O ZINC000280095489 334114310 /nfs/dbraw/zinc/11/43/10/334114310.db2.gz MSQFJDFTUDWGBY-OALUTQOASA-N 1 0 308.425 4.786 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000340445127 334203746 /nfs/dbraw/zinc/20/37/46/334203746.db2.gz KNAWGRFPSXMDII-SFTDATJTSA-N 1 0 315.420 4.570 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445189 334203767 /nfs/dbraw/zinc/20/37/67/334203767.db2.gz LVGWQDJSAYKGQS-HRAATJIYSA-N 1 0 320.436 4.803 20 30 DJEDRO CCC1(CC)[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@H]1OC ZINC000340445471 334203970 /nfs/dbraw/zinc/20/39/70/334203970.db2.gz DOKNSWLMUQMITG-GUDVDZBRSA-N 1 0 314.473 4.605 20 30 DJEDRO COc1ccc(C[C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340445476 334203988 /nfs/dbraw/zinc/20/39/88/334203988.db2.gz DOKRJGGFALTUSH-LAUBAEHRSA-N 1 0 322.452 4.651 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000295109297 334218641 /nfs/dbraw/zinc/21/86/41/334218641.db2.gz UUJHQGUFEGULCT-JQWIXIFHSA-N 1 0 316.754 4.531 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F ZINC000341898376 334493187 /nfs/dbraw/zinc/49/31/87/334493187.db2.gz SUWXHVTVJWUUCM-KZULUSFZSA-N 1 0 312.363 4.565 20 30 DJEDRO C=CC[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000532048074 334621796 /nfs/dbraw/zinc/62/17/96/334621796.db2.gz OMZAXBCPXLZPGK-KRWDZBQOSA-N 1 0 305.393 4.552 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 ZINC000417354528 334707171 /nfs/dbraw/zinc/70/71/71/334707171.db2.gz MBRFOPFPIULSJG-SZNDQCEHSA-N 1 0 302.421 4.774 20 30 DJEDRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3)oc21 ZINC000053143908 334858479 /nfs/dbraw/zinc/85/84/79/334858479.db2.gz HAJCTHRLHJIUBF-AWEZNQCLSA-N 1 0 320.392 4.554 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(C#N)cc1 ZINC000425961282 334865313 /nfs/dbraw/zinc/86/53/13/334865313.db2.gz SHQSKSIOORKCMG-FQEVSTJZSA-N 1 0 308.400 4.816 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2sccc21 ZINC000344135226 335220760 /nfs/dbraw/zinc/22/07/60/335220760.db2.gz PNZDBLLQOFFDEM-ROUUACIJSA-N 1 0 308.450 4.664 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000444661154 338480004 /nfs/dbraw/zinc/48/00/04/338480004.db2.gz LEDCYQQGOQOBRL-UHFFFAOYSA-N 1 0 302.437 4.905 20 30 DJEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCC(C)(C)C#N ZINC000444680517 338481877 /nfs/dbraw/zinc/48/18/77/338481877.db2.gz PNAMIEGICWDDNE-GOSISDBHSA-N 1 0 304.453 4.702 20 30 DJEDRO COc1ccccc1C[C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)C ZINC000444681771 338481891 /nfs/dbraw/zinc/48/18/91/338481891.db2.gz WOCCZKQMSCXEDE-GOSISDBHSA-N 1 0 316.489 4.572 20 30 DJEDRO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC(C)(C)CCC#N ZINC000348213306 335562084 /nfs/dbraw/zinc/56/20/84/335562084.db2.gz IJBJKZRGPWNDJQ-MRXNPFEDSA-N 1 0 320.864 4.782 20 30 DJEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1OC(F)F ZINC000348203346 335565463 /nfs/dbraw/zinc/56/54/63/335565463.db2.gz BXDUBXZZKHJWIS-AWEZNQCLSA-N 1 0 310.388 4.659 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000520406496 335975031 /nfs/dbraw/zinc/97/50/31/335975031.db2.gz ITXVBPACDNDWRS-LJQANCHMSA-N 1 0 310.828 4.573 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000103345380 336240199 /nfs/dbraw/zinc/24/01/99/336240199.db2.gz MLSARUIGHDYIPV-HNNXBMFYSA-N 1 0 310.466 4.910 20 30 DJEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000532578963 336256162 /nfs/dbraw/zinc/25/61/62/336256162.db2.gz RJAYFHUKXTZFSZ-INIZCTEOSA-N 1 0 313.445 4.784 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1[nH]ncc1C)c1ccc(C(F)(F)F)cc1 ZINC000352829236 336267207 /nfs/dbraw/zinc/26/72/07/336267207.db2.gz FYDAKOODLRWHLG-HNNXBMFYSA-N 1 0 323.362 4.534 20 30 DJEDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980113 336286522 /nfs/dbraw/zinc/28/65/22/336286522.db2.gz WQKWGJCMFBGVDY-CVEARBPZSA-N 1 0 308.425 4.563 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988839 336286669 /nfs/dbraw/zinc/28/66/69/336286669.db2.gz LVLBGLZCYIDHEX-SJCJKPOMSA-N 1 0 312.413 4.585 20 30 DJEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999047 336286760 /nfs/dbraw/zinc/28/67/60/336286760.db2.gz OCMVBZYTMXOVGD-UZLBHIALSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000193002571 336286767 /nfs/dbraw/zinc/28/67/67/336286767.db2.gz UUIQRDBLAANWCE-CHWSQXEVSA-N 1 0 318.342 4.989 20 30 DJEDRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000193008076 336286910 /nfs/dbraw/zinc/28/69/10/336286910.db2.gz BLOSWPKYFWUQSW-MRXNPFEDSA-N 1 0 307.441 4.573 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000034992792 336385154 /nfs/dbraw/zinc/38/51/54/336385154.db2.gz DRNFWHQMGONPRY-AWEZNQCLSA-N 1 0 301.817 4.756 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250713 336408224 /nfs/dbraw/zinc/40/82/24/336408224.db2.gz GGPZSOORWXHPLQ-CRAIPNDOSA-N 1 0 311.425 4.759 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000353912741 336447480 /nfs/dbraw/zinc/44/74/80/336447480.db2.gz GBZNCMGQQXADEH-HXUWFJFHSA-N 1 0 315.420 4.760 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000358329178 336624335 /nfs/dbraw/zinc/62/43/35/336624335.db2.gz ONCIZFMCFWWLIT-UXHICEINSA-N 1 0 308.425 4.781 20 30 DJEDRO COCCCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000359027742 336654037 /nfs/dbraw/zinc/65/40/37/336654037.db2.gz JYVIMWKKWPAIGV-UTKZUKDTSA-N 1 0 322.452 4.767 20 30 DJEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000359307263 336666865 /nfs/dbraw/zinc/66/68/65/336666865.db2.gz UILHDBDPRAJIOA-HNAYVOBHSA-N 1 0 312.844 4.906 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000418137619 336897521 /nfs/dbraw/zinc/89/75/21/336897521.db2.gz BYNLTBREHIEXSU-GOSISDBHSA-N 1 0 314.791 4.518 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360034585 337084024 /nfs/dbraw/zinc/08/40/24/337084024.db2.gz DMVLVSCONFHVNU-MRXNPFEDSA-N 1 0 311.429 4.685 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000582754603 337134271 /nfs/dbraw/zinc/13/42/71/337134271.db2.gz VABQKCUURUCJHH-CQSZACIVSA-N 1 0 314.379 4.976 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722587 337318218 /nfs/dbraw/zinc/31/82/18/337318218.db2.gz FIZRSPFRLGUFQX-SFTDATJTSA-N 1 0 320.411 4.816 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000571779829 337576572 /nfs/dbraw/zinc/57/65/72/337576572.db2.gz WEDKTXFHPRPTSZ-IBGZPJMESA-N 1 0 312.432 4.810 20 30 DJEDRO Cc1ccccc1C([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1C ZINC000572019277 337586896 /nfs/dbraw/zinc/58/68/96/337586896.db2.gz SFBMWNZWAQDNLN-ROUUACIJSA-N 1 0 304.437 4.675 20 30 DJEDRO C[C@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1cccc(C#N)c1 ZINC000421867579 337656748 /nfs/dbraw/zinc/65/67/48/337656748.db2.gz BNXCQGOLGCPHJK-GUYCJALGSA-N 1 0 300.352 4.605 20 30 DJEDRO C[C@H]([NH2+][C@H](CC(F)F)c1ccccc1)c1cccc(C#N)c1 ZINC000421867580 337656754 /nfs/dbraw/zinc/65/67/54/337656754.db2.gz BNXCQGOLGCPHJK-SUMWQHHRSA-N 1 0 300.352 4.605 20 30 DJEDRO CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421877580 337658184 /nfs/dbraw/zinc/65/81/84/337658184.db2.gz KXAFOUFGUYRBHT-GFCCVEGCSA-N 1 0 302.468 4.583 20 30 DJEDRO Cc1cc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)s3)oc2cc1C ZINC000421880976 337658492 /nfs/dbraw/zinc/65/84/92/337658492.db2.gz OPWIVBIKQJKUGK-CYBMUJFWSA-N 1 0 310.422 4.834 20 30 DJEDRO C#CC[C@H]([NH2+][C@@H]1CCSc2ccc(OC)cc21)c1ccccc1 ZINC000276082141 337663444 /nfs/dbraw/zinc/66/34/44/337663444.db2.gz BLCQKHSQGIUZDX-RBUKOAKNSA-N 1 0 323.461 4.586 20 30 DJEDRO CC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccs1 ZINC000536863195 337746984 /nfs/dbraw/zinc/74/69/84/337746984.db2.gz MHGYHQMNNUNFQD-MRXNPFEDSA-N 1 0 316.495 4.594 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1Cl ZINC000117951236 337849680 /nfs/dbraw/zinc/84/96/80/337849680.db2.gz RNSUZMDXYAVEPB-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000121840520 337901772 /nfs/dbraw/zinc/90/17/72/337901772.db2.gz SASYDKQTCLPVFI-CHWSQXEVSA-N 1 0 318.342 4.989 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000537298107 337929274 /nfs/dbraw/zinc/92/92/74/337929274.db2.gz AGGRGKQSXYZNQM-AWEZNQCLSA-N 1 0 323.248 4.704 20 30 DJEDRO CC1(C)CC[C@@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384444 337934385 /nfs/dbraw/zinc/93/43/85/337934385.db2.gz RQGANHJQEUYBCJ-XLIONFOSSA-N 1 0 316.448 4.948 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000537886082 337964949 /nfs/dbraw/zinc/96/49/49/337964949.db2.gz AKIZUJYSCLFTMG-LJQANCHMSA-N 1 0 318.530 4.610 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000515319441 337984809 /nfs/dbraw/zinc/98/48/09/337984809.db2.gz CLSMMRIMUSZJCR-VQTJNVASSA-N 1 0 322.839 4.866 20 30 DJEDRO CCCCOc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000516120987 338005771 /nfs/dbraw/zinc/00/57/71/338005771.db2.gz XFYPMUKPQARDCD-OAQYLSRUSA-N 1 0 320.436 4.514 20 30 DJEDRO CC(C)CCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000516338936 338011128 /nfs/dbraw/zinc/01/11/28/338011128.db2.gz DZZUNDCJKLQBRE-UHFFFAOYSA-N 1 0 302.462 4.531 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000426293974 338025156 /nfs/dbraw/zinc/02/51/56/338025156.db2.gz ZQKRFRHNQPCZGG-JLTOFOAXSA-N 1 0 308.400 4.734 20 30 DJEDRO CC(C)C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccs1 ZINC000428345486 338048052 /nfs/dbraw/zinc/04/80/52/338048052.db2.gz CJIHGIYQQDAVAA-MRXNPFEDSA-N 1 0 302.418 4.636 20 30 DJEDRO N#Cc1c(F)cccc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000428347023 338048235 /nfs/dbraw/zinc/04/82/35/338048235.db2.gz PDNVCMQADGGQQF-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO Cc1cc(F)ccc1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000430097774 338096485 /nfs/dbraw/zinc/09/64/85/338096485.db2.gz CBMJLNXUVGLGFS-UHFFFAOYSA-N 1 0 302.437 4.644 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000430723798 338112370 /nfs/dbraw/zinc/11/23/70/338112370.db2.gz KTOVSQZTCOXEOJ-OAHLLOKOSA-N 1 0 324.399 4.962 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000430744517 338113168 /nfs/dbraw/zinc/11/31/68/338113168.db2.gz NYMDJTOJYRQUBB-ZDUSSCGKSA-N 1 0 314.429 4.899 20 30 DJEDRO N#CCC[C@@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000430776297 338114671 /nfs/dbraw/zinc/11/46/71/338114671.db2.gz OUKNYARMIYHFHJ-LJQANCHMSA-N 1 0 310.466 4.554 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432010193 338143630 /nfs/dbraw/zinc/14/36/30/338143630.db2.gz ALNHAKCSXRNEJP-QGZVFWFLSA-N 1 0 306.400 4.822 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000433014476 338176269 /nfs/dbraw/zinc/17/62/69/338176269.db2.gz SDNCDWQUDSSDLB-HXUWFJFHSA-N 1 0 322.839 4.716 20 30 DJEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433017964 338176427 /nfs/dbraw/zinc/17/64/27/338176427.db2.gz DOVFGZUDKBDXRH-RLLQIKCJSA-N 1 0 314.473 4.606 20 30 DJEDRO COc1ccccc1CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433019105 338176582 /nfs/dbraw/zinc/17/65/82/338176582.db2.gz LPGPMYTZLOUHAY-HXUWFJFHSA-N 1 0 322.452 4.653 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000433020714 338176667 /nfs/dbraw/zinc/17/66/67/338176667.db2.gz DFDPMEDVGJTMCA-AVRDEDQJSA-N 1 0 318.464 4.816 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000433023648 338176920 /nfs/dbraw/zinc/17/69/20/338176920.db2.gz RZUOBAYEFATMQJ-PCCBWWKXSA-N 1 0 304.437 4.815 20 30 DJEDRO CSc1ccccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433027218 338176981 /nfs/dbraw/zinc/17/69/81/338176981.db2.gz UBZGENKTZINLML-SFHVURJKSA-N 1 0 310.466 4.933 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1 ZINC000433027263 338177051 /nfs/dbraw/zinc/17/70/51/338177051.db2.gz KBSXRHFAFABGND-FQEVSTJZSA-N 1 0 310.416 4.783 20 30 DJEDRO CCc1ccccc1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433027833 338177136 /nfs/dbraw/zinc/17/71/36/338177136.db2.gz XDZYTEXYNMLCPH-NRFANRHFSA-N 1 0 306.453 4.816 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313870 338191685 /nfs/dbraw/zinc/19/16/85/338191685.db2.gz SHBNIQWYBPWUMB-INIZCTEOSA-N 1 0 304.865 4.849 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000154328251 338241356 /nfs/dbraw/zinc/24/13/56/338241356.db2.gz OWSXKWUFGWZFLQ-KGLIPLIRSA-N 1 0 310.466 4.910 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000435663482 338244505 /nfs/dbraw/zinc/24/45/05/338244505.db2.gz OPJRTFROWDRMIE-IXDGSTSKSA-N 1 0 310.828 4.808 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000435664740 338244637 /nfs/dbraw/zinc/24/46/37/338244637.db2.gz NQWFEYZRYISYAX-MKBNYLNASA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000436294694 338266962 /nfs/dbraw/zinc/26/69/62/338266962.db2.gz GKITXNGYXNHKSG-FTRWYGJKSA-N 1 0 313.441 4.681 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000436296058 338267109 /nfs/dbraw/zinc/26/71/09/338267109.db2.gz QWRAMFJYUOMREH-KHYOSLBOSA-N 1 0 313.441 4.627 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000436296057 338267179 /nfs/dbraw/zinc/26/71/79/338267179.db2.gz QWRAMFJYUOMREH-DOXZYTNZSA-N 1 0 313.441 4.627 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000436303561 338267771 /nfs/dbraw/zinc/26/77/71/338267771.db2.gz CMXYTIXQGJYFHM-MISYRCLQSA-N 1 0 308.400 4.684 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000436305902 338267984 /nfs/dbraw/zinc/26/79/84/338267984.db2.gz IGFQJKDLDOMRBB-WDYCEAGBSA-N 1 0 319.514 4.819 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000437758997 338320336 /nfs/dbraw/zinc/32/03/36/338320336.db2.gz CROMITGWVZERBA-NJYVYQBISA-N 1 0 304.437 4.957 20 30 DJEDRO C[C@H]([NH2+]CCc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 ZINC000439561916 338373045 /nfs/dbraw/zinc/37/30/45/338373045.db2.gz PJTFFKZZOBQJCD-LBPRGKRZSA-N 1 0 319.235 4.758 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC000442761888 338429827 /nfs/dbraw/zinc/42/98/27/338429827.db2.gz DGIVNDGQCKDZRT-FQELHTAISA-N 1 0 316.404 4.804 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)C1 ZINC000442847435 338434402 /nfs/dbraw/zinc/43/44/02/338434402.db2.gz CJUNURZHBFPDHO-UKRRQHHQSA-N 1 0 320.839 4.573 20 30 DJEDRO CC[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447516903 338553528 /nfs/dbraw/zinc/55/35/28/338553528.db2.gz QNSOFZGEDPXRNM-DYESRHJHSA-N 1 0 322.452 4.767 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000447531884 338554563 /nfs/dbraw/zinc/55/45/63/338554563.db2.gz UAHRQPVYHWXELT-LJQANCHMSA-N 1 0 308.425 4.586 20 30 DJEDRO CC[C@@H]([NH2+]Cc1oc2ccc(F)cc2c1C)c1ccc(C#N)cc1 ZINC000447544702 338555883 /nfs/dbraw/zinc/55/58/83/338555883.db2.gz OXLWSIGKENNDQE-GOSISDBHSA-N 1 0 322.383 4.993 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000447592961 338560495 /nfs/dbraw/zinc/56/04/95/338560495.db2.gz OYZNZWIZUVVYCK-RTBURBONSA-N 1 0 324.399 4.652 20 30 DJEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449143949 338596769 /nfs/dbraw/zinc/59/67/69/338596769.db2.gz ROETXOGPZGQTAC-AOCRQIFASA-N 1 0 304.865 4.723 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccccc1 ZINC000449198812 338601710 /nfs/dbraw/zinc/60/17/10/338601710.db2.gz DMBCGLZYKJCFQW-FQEVSTJZSA-N 1 0 309.457 4.795 20 30 DJEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446070 338624645 /nfs/dbraw/zinc/62/46/45/338624645.db2.gz NVOPLPPWJZXUGR-JJPUIBJASA-N 1 0 322.374 4.781 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000449447174 338624817 /nfs/dbraw/zinc/62/48/17/338624817.db2.gz WOIJQOCXVCMYSE-KMCQBPLKSA-N 1 0 302.849 4.648 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000449449544 338625272 /nfs/dbraw/zinc/62/52/72/338625272.db2.gz LXPNJCZBJXMGDU-SFHVURJKSA-N 1 0 314.791 4.592 20 30 DJEDRO C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2sccc21 ZINC000453171359 338802368 /nfs/dbraw/zinc/80/23/68/338802368.db2.gz IWBNFNXRGORBLU-SUMWQHHRSA-N 1 0 308.450 4.837 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)c(F)c1 ZINC000453244726 338813389 /nfs/dbraw/zinc/81/33/89/338813389.db2.gz FKZCSUQNDCGGJT-UONOGXRCSA-N 1 0 308.400 4.987 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)C1 ZINC000453285686 338818795 /nfs/dbraw/zinc/81/87/95/338818795.db2.gz CRVJNALAGNQRLA-LRQRDZAKSA-N 1 0 322.427 4.781 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2cccc(Cl)c2F)CC1 ZINC000461102682 339059437 /nfs/dbraw/zinc/05/94/37/339059437.db2.gz POLNYOWJXRXOOK-QGZVFWFLSA-N 1 0 324.871 4.560 20 30 DJEDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000462535933 339080719 /nfs/dbraw/zinc/08/07/19/339080719.db2.gz CZRNTWYHJUYHMM-VBKZILBWSA-N 1 0 308.400 4.501 20 30 DJEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805809 339090220 /nfs/dbraw/zinc/09/02/20/339090220.db2.gz IOKWCFSFBSZGLC-STQMWFEESA-N 1 0 304.434 4.955 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236965 339110975 /nfs/dbraw/zinc/11/09/75/339110975.db2.gz KJRCUKKQRSARAR-IDHHARJASA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3cccs3)CCCCC2)C1 ZINC000463238157 339111085 /nfs/dbraw/zinc/11/10/85/339111085.db2.gz ZHAGWZITZCLURU-CVEARBPZSA-N 1 0 302.487 4.622 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000463239556 339111185 /nfs/dbraw/zinc/11/11/85/339111185.db2.gz ZWBVTGRHFXBSOH-IUODEOHRSA-N 1 0 311.256 4.598 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463280971 339113203 /nfs/dbraw/zinc/11/32/03/339113203.db2.gz FMJKCHHBMWQCPM-CZUORRHYSA-N 1 0 324.390 4.655 20 30 DJEDRO COc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)c1 ZINC000463304257 339114246 /nfs/dbraw/zinc/11/42/46/339114246.db2.gz VJWBAFFFECZROL-YLJYHZDGSA-N 1 0 320.436 4.534 20 30 DJEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304843 339114279 /nfs/dbraw/zinc/11/42/79/339114279.db2.gz WRQPHKXOLQCJCE-KPFFTGBYSA-N 1 0 311.473 4.555 20 30 DJEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304846 339114350 /nfs/dbraw/zinc/11/43/50/339114350.db2.gz WRQPHKXOLQCJCE-YVWKXTFCSA-N 1 0 311.473 4.555 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760412 339151646 /nfs/dbraw/zinc/15/16/46/339151646.db2.gz GZKRNSGMGHBDCY-SJLPKXTDSA-N 1 0 322.477 4.733 20 30 DJEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCSCC#N ZINC000466702573 339213483 /nfs/dbraw/zinc/21/34/83/339213483.db2.gz CYYQTFXAHXXYHY-LLVKDONJSA-N 1 0 317.285 4.633 20 30 DJEDRO N#CCSCCC[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000466734028 339214926 /nfs/dbraw/zinc/21/49/26/339214926.db2.gz AULPHLWTQYQMNB-UHFFFAOYSA-N 1 0 320.477 4.607 20 30 DJEDRO CCSc1ccccc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467431858 339238124 /nfs/dbraw/zinc/23/81/24/339238124.db2.gz FVSCEGWGOMNOAL-HNNXBMFYSA-N 1 0 310.466 4.564 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000467445171 339239021 /nfs/dbraw/zinc/23/90/21/339239021.db2.gz YKZLSIWPVILFIM-NMFUWQPSSA-N 1 0 323.267 4.911 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736810 339244462 /nfs/dbraw/zinc/24/44/62/339244462.db2.gz XYCJDPXLPRARTC-QWRGUYRKSA-N 1 0 306.397 4.947 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@H](CCCC)c2ccccc2)CC1 ZINC000467849314 339247539 /nfs/dbraw/zinc/24/75/39/339247539.db2.gz GQZHEEGCDMAXPD-HXUWFJFHSA-N 1 0 300.490 4.548 20 30 DJEDRO C[N@H+](Cc1csc2ccccc12)Cc1ccc(F)c(C#N)c1 ZINC000468265321 339258066 /nfs/dbraw/zinc/25/80/66/339258066.db2.gz DKVVDWFDORKFRJ-UHFFFAOYSA-N 1 0 310.397 4.544 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)c1 ZINC000469048752 339278555 /nfs/dbraw/zinc/27/85/55/339278555.db2.gz STTITSIHACEIKI-LJQANCHMSA-N 1 0 310.828 4.843 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469440096 339289305 /nfs/dbraw/zinc/28/93/05/339289305.db2.gz FDZABLROVZTYQZ-UHFFFAOYSA-N 1 0 318.411 4.774 20 30 DJEDRO COc1ccc2cc(C[N@H+](C)CCCC(C)(C)C#N)ccc2c1 ZINC000471714592 339352068 /nfs/dbraw/zinc/35/20/68/339352068.db2.gz QAOIBLHXBUONNO-UHFFFAOYSA-N 1 0 310.441 4.610 20 30 DJEDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000471721860 339352411 /nfs/dbraw/zinc/35/24/11/339352411.db2.gz ZLIPPAIJMMPSDG-IBGZPJMESA-N 1 0 314.473 4.942 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc(SCC)c1 ZINC000472035564 339359849 /nfs/dbraw/zinc/35/98/49/339359849.db2.gz RXOQWWCJRHSFHV-UHFFFAOYSA-N 1 0 313.466 4.653 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000472155444 339364700 /nfs/dbraw/zinc/36/47/00/339364700.db2.gz LVWSVIWZJHWZCS-DLBZAZTESA-N 1 0 308.450 4.620 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000472247403 339367449 /nfs/dbraw/zinc/36/74/49/339367449.db2.gz DSYPICPEZFWNFT-UHFFFAOYSA-N 1 0 318.892 4.924 20 30 DJEDRO CC(C)c1cccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000479401807 339533208 /nfs/dbraw/zinc/53/32/08/339533208.db2.gz IBHSYSJQUFZQFT-UHFFFAOYSA-N 1 0 322.452 4.782 20 30 DJEDRO C=C(C)[C@@H]([NH2+]C[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417804 339534040 /nfs/dbraw/zinc/53/40/40/339534040.db2.gz GFODBTOPUOSACV-AUUYWEPGSA-N 1 0 323.427 4.624 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000479489699 339537796 /nfs/dbraw/zinc/53/77/96/339537796.db2.gz NDGGPJKKMQIZHR-ADLFWFRXSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000479535726 339539849 /nfs/dbraw/zinc/53/98/49/339539849.db2.gz ANPSMAJCTFSCAK-OMWUSAIZSA-N 1 0 310.828 4.808 20 30 DJEDRO CCC1(Cc2ccccc2)CC[NH+]([C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000479555161 339541039 /nfs/dbraw/zinc/54/10/39/339541039.db2.gz SGZVSFFUJDBMBJ-VQTJNVASSA-N 1 0 310.485 4.804 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000481654369 339608761 /nfs/dbraw/zinc/60/87/61/339608761.db2.gz VETVHJOXDAVXAZ-VFNWGFHPSA-N 1 0 315.420 4.548 20 30 DJEDRO CCOc1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481654198 339608800 /nfs/dbraw/zinc/60/88/00/339608800.db2.gz CPGXDNUSTXEDDI-HXUWFJFHSA-N 1 0 320.436 4.514 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CSc2ccccc21 ZINC000481667174 339609232 /nfs/dbraw/zinc/60/92/32/339609232.db2.gz GTSYPVUCYLVJSI-OALUTQOASA-N 1 0 320.461 4.762 20 30 DJEDRO C=CCN1CCC([NH2+][C@@H](C)c2cccc(-c3ccccc3)c2)CC1 ZINC000482632148 339638130 /nfs/dbraw/zinc/63/81/30/339638130.db2.gz UHFXIDURUOPQMW-SFHVURJKSA-N 1 0 320.480 4.655 20 30 DJEDRO C=CCCCCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000486681322 339731158 /nfs/dbraw/zinc/73/11/58/339731158.db2.gz JBPKRBGWFRKTSX-UHFFFAOYSA-N 1 0 321.411 4.606 20 30 DJEDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000487571578 339757945 /nfs/dbraw/zinc/75/79/45/339757945.db2.gz INYKELJUYSWMMT-DOTOQJQBSA-N 1 0 322.477 4.629 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)ccc1C#N ZINC000488166519 339772370 /nfs/dbraw/zinc/77/23/70/339772370.db2.gz UQOPJFNQSBWALW-INIZCTEOSA-N 1 0 308.425 4.505 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)ccc1C#N ZINC000488972150 339798655 /nfs/dbraw/zinc/79/86/55/339798655.db2.gz TUJREJFHVFNEEM-ZDUSSCGKSA-N 1 0 308.356 4.603 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795299 340023388 /nfs/dbraw/zinc/02/33/88/340023388.db2.gz OETJGYXSRAJKTA-WBMJQRKESA-N 1 0 320.230 4.686 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795298 340023400 /nfs/dbraw/zinc/02/34/00/340023400.db2.gz OETJGYXSRAJKTA-MLGOLLRUSA-N 1 0 320.230 4.686 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000501238078 340076901 /nfs/dbraw/zinc/07/69/01/340076901.db2.gz XRELQYGCJQMFGM-NRFANRHFSA-N 1 0 320.436 4.588 20 30 DJEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000502549506 340107461 /nfs/dbraw/zinc/10/74/61/340107461.db2.gz ZWVKUZBNAPSGOL-UHFFFAOYSA-N 1 0 314.388 4.594 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000506011802 340183298 /nfs/dbraw/zinc/18/32/98/340183298.db2.gz DUOGXQYNAZATKF-UHFFFAOYSA-N 1 0 304.846 4.680 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000506234382 340189480 /nfs/dbraw/zinc/18/94/80/340189480.db2.gz PUMHIDAHXOWBFL-SFHVURJKSA-N 1 0 313.828 4.682 20 30 DJEDRO CCSCC[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507612834 340226379 /nfs/dbraw/zinc/22/63/79/340226379.db2.gz JNLFSPJQFARWMO-IPJUCJBFSA-N 1 0 316.514 4.512 20 30 DJEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000508076044 340238905 /nfs/dbraw/zinc/23/89/05/340238905.db2.gz AKSJHYQCZXKKHN-QFIPXVFZSA-N 1 0 318.464 4.998 20 30 DJEDRO CC(C)(CCC#N)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000508777235 340253057 /nfs/dbraw/zinc/25/30/57/340253057.db2.gz DJROPBPQORCDNG-UHFFFAOYSA-N 1 0 302.437 4.900 20 30 DJEDRO C=C(C)CC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000509023196 340258531 /nfs/dbraw/zinc/25/85/31/340258531.db2.gz VGZRMRINEYDHCX-LBPRGKRZSA-N 1 0 304.434 4.874 20 30 DJEDRO C=C(C[NH2+]C/C(C)=C\c1ccccc1COC)c1ccccc1 ZINC000510284214 340295102 /nfs/dbraw/zinc/29/51/02/340295102.db2.gz SJVUAZZQJLGVTP-LGMDPLHJSA-N 1 0 307.437 4.539 20 30 DJEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000511471677 340327827 /nfs/dbraw/zinc/32/78/27/340327827.db2.gz JOQADPWMNMGVTO-HXUWFJFHSA-N 1 0 312.457 4.524 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511895668 340342238 /nfs/dbraw/zinc/34/22/38/340342238.db2.gz YEFVTTLVGDDJBY-VAMGGRTRSA-N 1 0 310.485 4.975 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(OC)cc1 ZINC000512283775 340355299 /nfs/dbraw/zinc/35/52/99/340355299.db2.gz UBGGNJXNCICKPL-ORAYPTAESA-N 1 0 312.388 4.508 20 30 DJEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512290232 340355626 /nfs/dbraw/zinc/35/56/26/340355626.db2.gz XXCYYNSBTGCFRN-HNNXBMFYSA-N 1 0 308.400 4.513 20 30 DJEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)c1ccccc1F ZINC000512506267 340364721 /nfs/dbraw/zinc/36/47/21/340364721.db2.gz JHRYBQMUNUTMPN-INIZCTEOSA-N 1 0 315.436 4.742 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)cc1 ZINC000512560956 340367004 /nfs/dbraw/zinc/36/70/04/340367004.db2.gz HSYHKJLJYRPOJO-UHFFFAOYSA-N 1 0 320.436 4.639 20 30 DJEDRO C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512628701 340369852 /nfs/dbraw/zinc/36/98/52/340369852.db2.gz GGBXNRFHBWYIJZ-QWRGUYRKSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512631386 340370107 /nfs/dbraw/zinc/37/01/07/340370107.db2.gz QMXDYAFJXLODEN-UWVGGRQHSA-N 1 0 308.809 4.824 20 30 DJEDRO CSc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512631931 340369993 /nfs/dbraw/zinc/36/99/93/340369993.db2.gz UXYBYADXVWTFCJ-CYBMUJFWSA-N 1 0 314.429 4.579 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000512630043 340370019 /nfs/dbraw/zinc/37/00/19/340370019.db2.gz LGIYBGROWAZYHF-BBATYDOGSA-N 1 0 314.791 4.689 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652301 340371087 /nfs/dbraw/zinc/37/10/87/340371087.db2.gz LKIPLUJXLMAFKF-YJYMSZOUSA-N 1 0 317.379 4.508 20 30 DJEDRO C[C@@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(C#N)cc1F ZINC000512661607 340371761 /nfs/dbraw/zinc/37/17/61/340371761.db2.gz SXOLYPIZLKFAJB-PIGZYNQJSA-N 1 0 300.402 4.561 20 30 DJEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174830557 340396921 /nfs/dbraw/zinc/39/69/21/340396921.db2.gz YQJKVYGRSWNXQM-UHFFFAOYSA-N 1 0 323.484 4.986 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2ccccc2F)s1 ZINC000178643444 340451240 /nfs/dbraw/zinc/45/12/40/340451240.db2.gz KWSSITIRQDGKBC-CYBMUJFWSA-N 1 0 302.418 4.899 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1Cl ZINC000517547846 340471748 /nfs/dbraw/zinc/47/17/48/340471748.db2.gz WKDZXUYKYDIEHW-CYBMUJFWSA-N 1 0 321.873 4.687 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 ZINC000521694915 340529187 /nfs/dbraw/zinc/52/91/87/340529187.db2.gz ASBKZONFAMWYQY-VQTJNVASSA-N 1 0 324.374 4.731 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2ccccc2c1 ZINC000192147094 340563014 /nfs/dbraw/zinc/56/30/14/340563014.db2.gz CRKYISCGSURAOD-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000236627305 340663176 /nfs/dbraw/zinc/66/31/76/340663176.db2.gz VZSBVJSJTKEDTO-LJQANCHMSA-N 1 0 310.416 4.964 20 30 DJEDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000539497055 340887570 /nfs/dbraw/zinc/88/75/70/340887570.db2.gz YGBVLCIDGPGFIV-AWEZNQCLSA-N 1 0 310.828 4.594 20 30 DJEDRO Cc1cccc(-c2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)c1 ZINC000539497731 340887630 /nfs/dbraw/zinc/88/76/30/340887630.db2.gz UFNQMCCPUDPRBH-UHFFFAOYSA-N 1 0 318.445 4.885 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000543183986 341035644 /nfs/dbraw/zinc/03/56/44/341035644.db2.gz JQGZLYPRDLXUNA-IBGZPJMESA-N 1 0 310.828 4.647 20 30 DJEDRO CCSc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000543188274 341036042 /nfs/dbraw/zinc/03/60/42/341036042.db2.gz WWBZFQZCQXDOHJ-HNNXBMFYSA-N 1 0 310.466 4.715 20 30 DJEDRO N#CCC1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000543779014 341058387 /nfs/dbraw/zinc/05/83/87/341058387.db2.gz AYYOXDQIUDGHLG-UHFFFAOYSA-N 1 0 314.429 4.680 20 30 DJEDRO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960970 341064409 /nfs/dbraw/zinc/06/44/09/341064409.db2.gz HXSQZZDCQSWKCZ-DLBZAZTESA-N 1 0 322.452 4.691 20 30 DJEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000544071399 341069193 /nfs/dbraw/zinc/06/91/93/341069193.db2.gz YYUGPCMQZZIEIA-UHFFFAOYSA-N 1 0 319.235 4.691 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000544071081 341069204 /nfs/dbraw/zinc/06/92/04/341069204.db2.gz MNRKRCQDBMSCRN-LJQANCHMSA-N 1 0 310.416 4.769 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000544115834 341070881 /nfs/dbraw/zinc/07/08/81/341070881.db2.gz AUQFGCIUIMPNHS-LJQANCHMSA-N 1 0 314.379 4.518 20 30 DJEDRO C=CCC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544471479 341083634 /nfs/dbraw/zinc/08/36/34/341083634.db2.gz SNNQPFZMWCWEOV-LLVKDONJSA-N 1 0 306.862 4.999 20 30 DJEDRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000074334594 341143978 /nfs/dbraw/zinc/14/39/78/341143978.db2.gz IGEZCNCEOIBCIB-QGZVFWFLSA-N 1 0 312.416 4.998 20 30 DJEDRO C[C@H](CC[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000545961450 341148544 /nfs/dbraw/zinc/14/85/44/341148544.db2.gz RFGNZNCQHLPOSF-GOSISDBHSA-N 1 0 322.452 4.653 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000236818275 341202254 /nfs/dbraw/zinc/20/22/54/341202254.db2.gz RNGDARXFCZMOMR-OAQYLSRUSA-N 1 0 320.480 4.932 20 30 DJEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000236986625 341205392 /nfs/dbraw/zinc/20/53/92/341205392.db2.gz ZPFSDKKFWJFNCJ-HXUWFJFHSA-N 1 0 322.452 4.834 20 30 DJEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237494203 341214904 /nfs/dbraw/zinc/21/49/04/341214904.db2.gz HIFWSNXPGFQHKE-ROUUACIJSA-N 1 0 322.452 4.651 20 30 DJEDRO C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(C#N)cc1 ZINC000135848166 341247114 /nfs/dbraw/zinc/24/71/14/341247114.db2.gz HJFFOQISUGYGRY-CYBMUJFWSA-N 1 0 311.454 4.523 20 30 DJEDRO Cc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548935995 341281802 /nfs/dbraw/zinc/28/18/02/341281802.db2.gz GCHPAHWLKQFLHO-MRXNPFEDSA-N 1 0 300.405 4.871 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170007 341287822 /nfs/dbraw/zinc/28/78/22/341287822.db2.gz FGTCWBVQYQJWIF-CZUORRHYSA-N 1 0 322.374 4.674 20 30 DJEDRO CC(C)(C#N)CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000549960926 341307969 /nfs/dbraw/zinc/30/79/69/341307969.db2.gz HPAOLPAIKPRMSM-HXUWFJFHSA-N 1 0 304.437 4.574 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000552062597 341366418 /nfs/dbraw/zinc/36/64/18/341366418.db2.gz AISPFATZFFSQAS-OAHLLOKOSA-N 1 0 305.805 4.739 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccco1 ZINC000552067381 341367016 /nfs/dbraw/zinc/36/70/16/341367016.db2.gz IFCTZOAXQSPZOM-MRXNPFEDSA-N 1 0 314.429 4.649 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(CSC)cc1)c1ccco1 ZINC000552339680 341387773 /nfs/dbraw/zinc/38/77/73/341387773.db2.gz DAZNJSDFZULZSC-QGZVFWFLSA-N 1 0 301.455 4.940 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000088536429 341400343 /nfs/dbraw/zinc/40/03/43/341400343.db2.gz HOBPIIYOHZPMDN-NRFANRHFSA-N 1 0 316.379 4.577 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000553293692 341423648 /nfs/dbraw/zinc/42/36/48/341423648.db2.gz CIPVPHCFVMVRFE-LEWJYISDSA-N 1 0 320.411 4.816 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000091400590 341425804 /nfs/dbraw/zinc/42/58/04/341425804.db2.gz QURFPDQXUZGQRI-FUHWJXTLSA-N 1 0 319.452 4.931 20 30 DJEDRO CC(C)(C[NH2+]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000554655692 341460560 /nfs/dbraw/zinc/46/05/60/341460560.db2.gz QDRWCMYPULSSQY-UHFFFAOYSA-N 1 0 317.248 4.523 20 30 DJEDRO Cc1ccc(-c2ncc(C[NH2+]CC(C)(C)CCC#N)s2)cc1 ZINC000554719290 341461921 /nfs/dbraw/zinc/46/19/21/341461921.db2.gz KXUBAFMPSYWXOL-UHFFFAOYSA-N 1 0 313.470 4.538 20 30 DJEDRO C=CCOc1cccc(C[NH2+]Cc2ccc3sccc3c2)c1 ZINC000566038164 341546163 /nfs/dbraw/zinc/54/61/63/341546163.db2.gz HKSGRWIGOIBXRF-UHFFFAOYSA-N 1 0 309.434 4.756 20 30 DJEDRO CC(C)C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccs1 ZINC000566650347 341564147 /nfs/dbraw/zinc/56/41/47/341564147.db2.gz TZNGKUMHJHHJFY-ZWKOTPCHSA-N 1 0 310.466 4.984 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000567285407 341593236 /nfs/dbraw/zinc/59/32/36/341593236.db2.gz WFCYUWXVTDCNPE-RBUKOAKNSA-N 1 0 310.828 4.940 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 ZINC000567315777 341594689 /nfs/dbraw/zinc/59/46/89/341594689.db2.gz BXSPKGWRORVCBS-FZKQIMNGSA-N 1 0 302.377 4.643 20 30 DJEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000568541312 341674379 /nfs/dbraw/zinc/67/43/79/341674379.db2.gz PXKLOYFJALTGSD-UHFFFAOYSA-N 1 0 317.219 4.644 20 30 DJEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569055312 341689570 /nfs/dbraw/zinc/68/95/70/341689570.db2.gz FUQSDTMQBGZKGL-VFNWGFHPSA-N 1 0 320.436 4.684 20 30 DJEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000174337058 341826186 /nfs/dbraw/zinc/82/61/86/341826186.db2.gz MXMYNRXITNZLAD-INIZCTEOSA-N 1 0 322.330 4.801 20 30 DJEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174415364 341826702 /nfs/dbraw/zinc/82/67/02/341826702.db2.gz YRAPALHKFKOKGT-GOSISDBHSA-N 1 0 322.433 4.595 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000577006103 341875337 /nfs/dbraw/zinc/87/53/37/341875337.db2.gz JXZQWHPZJGNBNC-SFTDATJTSA-N 1 0 320.411 4.742 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(-c2ccncc2)cc1 ZINC000177708555 341924673 /nfs/dbraw/zinc/92/46/73/341924673.db2.gz OTSBBACQDSPEFC-CQSZACIVSA-N 1 0 319.433 4.533 20 30 DJEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000177708676 341924681 /nfs/dbraw/zinc/92/46/81/341924681.db2.gz LRIHNJVPFMYQMR-KRWDZBQOSA-N 1 0 314.454 4.505 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000090664925 518196353 /nfs/dbraw/zinc/19/63/53/518196353.db2.gz JOVIXBTXBQJNSD-RTBURBONSA-N 1 0 310.828 4.962 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)cc1F ZINC000404618872 518196558 /nfs/dbraw/zinc/19/65/58/518196558.db2.gz VSRGIJZUIBGYKR-SFHVURJKSA-N 1 0 314.429 4.780 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000126528697 525662810 /nfs/dbraw/zinc/66/28/10/525662810.db2.gz SMSYSSDVHPSQOV-IAGOWNOFSA-N 1 0 319.452 4.570 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284440662 335012801 /nfs/dbraw/zinc/01/28/01/335012801.db2.gz STRSFRKYAHOJPS-SFHVURJKSA-N 1 0 309.457 4.571 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)cc1 ZINC000035252874 331490526 /nfs/dbraw/zinc/49/05/26/331490526.db2.gz ZSHKFSGEEGXAKQ-CQSZACIVSA-N 1 0 301.455 4.781 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1 ZINC000035253498 331490786 /nfs/dbraw/zinc/49/07/86/331490786.db2.gz PVFYKENIAVBUBJ-LBPRGKRZSA-N 1 0 307.846 4.817 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000580049537 332915840 /nfs/dbraw/zinc/91/58/40/332915840.db2.gz GJBCTSNYDVQOHF-SEVLPDGMSA-N 1 0 304.437 4.813 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000037073339 331536055 /nfs/dbraw/zinc/53/60/55/331536055.db2.gz ZPMCWABVGSUZAT-INIZCTEOSA-N 1 0 314.841 4.538 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cc1F ZINC000516849174 331690150 /nfs/dbraw/zinc/69/01/50/331690150.db2.gz AKPCEHFWDZFINU-GOSISDBHSA-N 1 0 314.791 4.518 20 30 DJEDRO CCCOc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000557518324 331797077 /nfs/dbraw/zinc/79/70/77/331797077.db2.gz ZQOLFQFNNVFLTG-OAQYLSRUSA-N 1 0 320.436 4.514 20 30 DJEDRO CC[C@H](Nc1cccc(C[NH+](CC)CC)c1)c1ccc(C#N)cc1 ZINC000584211898 331868542 /nfs/dbraw/zinc/86/85/42/331868542.db2.gz FSKFPLHUXJZPMI-NRFANRHFSA-N 1 0 321.468 4.963 20 30 DJEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664902 332092049 /nfs/dbraw/zinc/09/20/49/332092049.db2.gz QRFFMZJBYKCKPU-WOJBJXKFSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 ZINC000090665111 332092069 /nfs/dbraw/zinc/09/20/69/332092069.db2.gz WJCDIJVDPNOMOM-WMLDXEAASA-N 1 0 321.449 4.992 20 30 DJEDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000090664658 332092155 /nfs/dbraw/zinc/09/21/55/332092155.db2.gz YQNCVZXYQULQOO-CZUORRHYSA-N 1 0 313.470 4.710 20 30 DJEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664901 332092251 /nfs/dbraw/zinc/09/22/51/332092251.db2.gz QRFFMZJBYKCKPU-VQTJNVASSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)ccc1Cl ZINC000426156991 332096339 /nfs/dbraw/zinc/09/63/39/332096339.db2.gz OPXXLBGSGULMLH-LBPRGKRZSA-N 1 0 319.235 4.910 20 30 DJEDRO CCCC(C)(C)[N@H+](Cc1cccs1)Cc1ccc(C#N)cn1 ZINC000569468967 332097652 /nfs/dbraw/zinc/09/76/52/332097652.db2.gz KLZPXQPQLGUCLH-UHFFFAOYSA-N 1 0 313.470 4.596 20 30 DJEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514280 332118067 /nfs/dbraw/zinc/11/80/67/332118067.db2.gz WMFCDNUXWDEZFQ-WOJBJXKFSA-N 1 0 302.421 4.558 20 30 DJEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514278 332118120 /nfs/dbraw/zinc/11/81/20/332118120.db2.gz WMFCDNUXWDEZFQ-VQTJNVASSA-N 1 0 302.421 4.558 20 30 DJEDRO C=CCCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000448024821 332190366 /nfs/dbraw/zinc/19/03/66/332190366.db2.gz AWEBYAVMUZIFRP-LBPRGKRZSA-N 1 0 304.434 4.874 20 30 DJEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447541 332202232 /nfs/dbraw/zinc/20/22/32/332202232.db2.gz ZSSXCHVBMOFTQH-AVGNSLFASA-N 1 0 311.256 4.596 20 30 DJEDRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000559881098 332287970 /nfs/dbraw/zinc/28/79/70/332287970.db2.gz UKQNEAOFBVVUDV-DCPHZVHLSA-N 1 0 308.400 4.542 20 30 DJEDRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000559881102 332287988 /nfs/dbraw/zinc/28/79/88/332287988.db2.gz UKQNEAOFBVVUDV-WNYOCNMUSA-N 1 0 308.400 4.542 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000128149910 332491306 /nfs/dbraw/zinc/49/13/06/332491306.db2.gz WCEVBJFKEQVECO-ARFHVFGLSA-N 1 0 310.363 4.742 20 30 DJEDRO N#CC1(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)CC1 ZINC000562926913 332644378 /nfs/dbraw/zinc/64/43/78/332644378.db2.gz NLVYBDZDFQVWKF-UHFFFAOYSA-N 1 0 318.464 4.514 20 30 DJEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000569657230 332654898 /nfs/dbraw/zinc/65/48/98/332654898.db2.gz UPKLUCGSVSQHGL-DJJJIMSYSA-N 1 0 310.828 4.858 20 30 DJEDRO C=CCOc1cccc(C[NH2+]Cc2c(C)oc3ccccc32)c1 ZINC000466469835 333022581 /nfs/dbraw/zinc/02/25/81/333022581.db2.gz XJSRDYYYJSMMNH-UHFFFAOYSA-N 1 0 307.393 4.596 20 30 DJEDRO FCCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000314175914 333092120 /nfs/dbraw/zinc/09/21/20/333092120.db2.gz PHNSDQGKCBDBOF-UHFFFAOYSA-N 1 0 317.248 4.564 20 30 DJEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCCC#N ZINC000178640620 333141661 /nfs/dbraw/zinc/14/16/61/333141661.db2.gz VHOZDSVTKOTXAU-LBPRGKRZSA-N 1 0 317.433 4.602 20 30 DJEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536899 333162701 /nfs/dbraw/zinc/16/27/01/333162701.db2.gz JJWPSEMHLUMAIC-IRXDYDNUSA-N 1 0 308.425 4.618 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540438 333162888 /nfs/dbraw/zinc/16/28/88/333162888.db2.gz WPRZOTFAYAZAPF-IIBYNOLFSA-N 1 0 320.436 4.626 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043362 333175043 /nfs/dbraw/zinc/17/50/43/333175043.db2.gz WLDSWQIAAOCIDB-LAUBAEHRSA-N 1 0 320.436 4.947 20 30 DJEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCCC#N ZINC000184088248 333191863 /nfs/dbraw/zinc/19/18/63/333191863.db2.gz HONCRNITSVXOMM-LLVKDONJSA-N 1 0 319.861 4.726 20 30 DJEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1nc(-c2ccccc2)cs1 ZINC000184516923 333197632 /nfs/dbraw/zinc/19/76/32/333197632.db2.gz OWNDBGMDHHKSQB-AWEZNQCLSA-N 1 0 313.470 4.791 20 30 DJEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc(-c2ccccc2)cs1 ZINC000184516941 333197735 /nfs/dbraw/zinc/19/77/35/333197735.db2.gz OWNDBGMDHHKSQB-CQSZACIVSA-N 1 0 313.470 4.791 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 ZINC000185817753 333214564 /nfs/dbraw/zinc/21/45/64/333214564.db2.gz NVALAVZKTPXKLY-IJEWVQPXSA-N 1 0 311.454 4.543 20 30 DJEDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CCC2)cc1 ZINC000187326969 333230713 /nfs/dbraw/zinc/23/07/13/333230713.db2.gz VFAYXWUTHLLACB-NRFANRHFSA-N 1 0 320.436 4.528 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186507617 333374052 /nfs/dbraw/zinc/37/40/52/333374052.db2.gz CECNTXPYSPNEDQ-UHFFFAOYSA-N 1 0 324.390 4.657 20 30 DJEDRO C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000319655537 333393540 /nfs/dbraw/zinc/39/35/40/333393540.db2.gz FZCZOLJPHCMVSL-GUYCJALGSA-N 1 0 318.342 4.903 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 ZINC000320008844 333421220 /nfs/dbraw/zinc/42/12/20/333421220.db2.gz DWUJDTZCOCKPHT-HOTGVXAUSA-N 1 0 304.437 4.849 20 30 DJEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)o1 ZINC000571018267 333479698 /nfs/dbraw/zinc/47/96/98/333479698.db2.gz ODSDEQBPOPLVRL-XMCHAPAWSA-N 1 0 320.436 4.832 20 30 DJEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000338953225 333503144 /nfs/dbraw/zinc/50/31/44/333503144.db2.gz JBUAQQCQCLIBGC-FQEVSTJZSA-N 1 0 308.425 4.610 20 30 DJEDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000563292279 333523201 /nfs/dbraw/zinc/52/32/01/333523201.db2.gz IAYMASNXDRRKDB-DAXOMENPSA-N 1 0 310.363 4.578 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](c3cccc(F)c3)C1)CC2 ZINC000571129234 333666648 /nfs/dbraw/zinc/66/66/48/333666648.db2.gz IVOSFTJQTNUDMO-SLYNCCJLSA-N 1 0 320.411 4.611 20 30 DJEDRO C=CCC[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccco1 ZINC000571187563 333679155 /nfs/dbraw/zinc/67/91/55/333679155.db2.gz YHLNOQHEEMEVHR-HXUWFJFHSA-N 1 0 324.468 4.793 20 30 DJEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccc2ncsc2c1 ZINC000411563268 333692147 /nfs/dbraw/zinc/69/21/47/333692147.db2.gz QKPZNABHDUQOSZ-CQSZACIVSA-N 1 0 313.470 4.811 20 30 DJEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000414302658 333933452 /nfs/dbraw/zinc/93/34/52/333933452.db2.gz MZEZTMZBEKRDLU-LPHOPBHVSA-N 1 0 311.473 4.610 20 30 DJEDRO COc1cccc(C=C2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000268496024 333991459 /nfs/dbraw/zinc/99/14/59/333991459.db2.gz RFFZKALHDSJRLP-UHFFFAOYSA-N 1 0 312.457 4.504 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271860997 334027730 /nfs/dbraw/zinc/02/77/30/334027730.db2.gz KJJWXACXRWHIQF-HRAATJIYSA-N 1 0 320.436 4.699 20 30 DJEDRO Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000271874254 334027898 /nfs/dbraw/zinc/02/78/98/334027898.db2.gz NRFNSFRVIFNLIH-HRAATJIYSA-N 1 0 320.436 4.699 20 30 DJEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2ccccc2o1 ZINC000272335508 334033317 /nfs/dbraw/zinc/03/33/17/334033317.db2.gz YURLMZAHWOWLHY-CQSZACIVSA-N 1 0 302.377 4.644 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cn1 ZINC000340428792 334198343 /nfs/dbraw/zinc/19/83/43/334198343.db2.gz AINDJTYOFKCYRN-RDTXWAMCSA-N 1 0 313.832 4.821 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431007 334198420 /nfs/dbraw/zinc/19/84/20/334198420.db2.gz BIUYFQHVEFLCRE-OXQOHEQNSA-N 1 0 303.409 4.644 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000293761583 334202015 /nfs/dbraw/zinc/20/20/15/334202015.db2.gz JZBGXEKOFTZNRU-CXAGYDPISA-N 1 0 322.374 4.577 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444203 334203038 /nfs/dbraw/zinc/20/30/38/334203038.db2.gz GYCHNAAPBKVEMI-DNVCBOLYSA-N 1 0 323.396 4.681 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445981 334203470 /nfs/dbraw/zinc/20/34/70/334203470.db2.gz MLFNHMZNYVZXKZ-KXBFYZLASA-N 1 0 323.396 4.681 20 30 DJEDRO Cc1nc(C)c([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000340446025 334203472 /nfs/dbraw/zinc/20/34/72/334203472.db2.gz NDLUNSBIHXTLSA-RHSMWYFYSA-N 1 0 313.470 4.846 20 30 DJEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447195 334204231 /nfs/dbraw/zinc/20/42/31/334204231.db2.gz PIXPWOAWFKUIID-JXFKEZNVSA-N 1 0 310.416 4.781 20 30 DJEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447200 334204356 /nfs/dbraw/zinc/20/43/56/334204356.db2.gz PIXPWOAWFKUIID-OXQOHEQNSA-N 1 0 310.416 4.781 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccccc1 ZINC000340450376 334204808 /nfs/dbraw/zinc/20/48/08/334204808.db2.gz XXWGTLQVMRWPDV-XVAXZDLZSA-N 1 0 304.437 4.957 20 30 DJEDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000340450336 334204846 /nfs/dbraw/zinc/20/48/46/334204846.db2.gz XJMMVQUFRONGCX-APWZRJJASA-N 1 0 310.445 4.550 20 30 DJEDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000340450340 334204867 /nfs/dbraw/zinc/20/48/67/334204867.db2.gz XJMMVQUFRONGCX-VQIMIIECSA-N 1 0 310.445 4.550 20 30 DJEDRO N#CCCC[C@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000340451084 334205532 /nfs/dbraw/zinc/20/55/32/334205532.db2.gz ZRNPTFYOSYTINX-JCYILVPMSA-N 1 0 306.400 4.835 20 30 DJEDRO N#CCC[C@H](Nc1cc[nH+]c2cc(F)ccc12)c1ccccc1 ZINC000164320352 334299208 /nfs/dbraw/zinc/29/92/08/334299208.db2.gz CCLWRHCVYIAXFB-KRWDZBQOSA-N 1 0 305.356 4.831 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000531954353 334305679 /nfs/dbraw/zinc/30/56/79/334305679.db2.gz FRNPYIQUWPZLOY-UHFFFAOYSA-N 1 0 310.828 4.771 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000531951498 334309256 /nfs/dbraw/zinc/30/92/56/334309256.db2.gz NQGROYJIIUGYKY-QWHCGFSZSA-N 1 0 318.873 4.945 20 30 DJEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CCCSCC#N)cc1 ZINC000534728325 334332540 /nfs/dbraw/zinc/33/25/40/334332540.db2.gz KYVUSLMZHOCHTB-SFHVURJKSA-N 1 0 302.487 4.594 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000341760168 334477978 /nfs/dbraw/zinc/47/79/78/334477978.db2.gz JLIIJKKVTXOPTO-RTBURBONSA-N 1 0 320.461 4.762 20 30 DJEDRO CC(C)Oc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341760302 334478025 /nfs/dbraw/zinc/47/80/25/334478025.db2.gz LGABOJYTEAQWEG-OAQYLSRUSA-N 1 0 320.436 4.513 20 30 DJEDRO CC(C)Oc1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341762966 334478607 /nfs/dbraw/zinc/47/86/07/334478607.db2.gz WLMOCSCOEOAAKJ-FQEVSTJZSA-N 1 0 320.436 4.513 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000341799812 334480210 /nfs/dbraw/zinc/48/02/10/334480210.db2.gz COTFSKSYMONWFE-NHCUHLMSSA-N 1 0 320.411 4.742 20 30 DJEDRO Cc1cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)ccc1C#N ZINC000425987022 334879221 /nfs/dbraw/zinc/87/92/21/334879221.db2.gz YATFAWCOFRJIAJ-UHFFFAOYSA-N 1 0 322.374 4.612 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1 ZINC000345014733 335291261 /nfs/dbraw/zinc/29/12/61/335291261.db2.gz GRCPVTJIXHEZSV-INIZCTEOSA-N 1 0 323.362 4.534 20 30 DJEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OC(F)F)cc1 ZINC000348235519 335572555 /nfs/dbraw/zinc/57/25/55/335572555.db2.gz ZWRWNTUXAVOGJQ-HNNXBMFYSA-N 1 0 310.388 4.659 20 30 DJEDRO Cc1ccc2[nH]c(C[NH2+][C@H](CCC#N)c3ccccc3)cc2c1C ZINC000349644219 335687998 /nfs/dbraw/zinc/68/79/98/335687998.db2.gz HIZAMFXWGJSORG-HXUWFJFHSA-N 1 0 317.436 4.919 20 30 DJEDRO N#CCCCC[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000480000711 335816798 /nfs/dbraw/zinc/81/67/98/335816798.db2.gz URJHZDZRTZCXOF-UHFFFAOYSA-N 1 0 314.816 4.916 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000532159714 335906478 /nfs/dbraw/zinc/90/64/78/335906478.db2.gz ZZVRVLIZJOMRPV-QGZVFWFLSA-N 1 0 316.445 4.896 20 30 DJEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000532193092 335913631 /nfs/dbraw/zinc/91/36/31/335913631.db2.gz OLTDLXCRTXTXNY-DLBZAZTESA-N 1 0 313.441 4.687 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000520406495 335975115 /nfs/dbraw/zinc/97/51/15/335975115.db2.gz ITXVBPACDNDWRS-IBGZPJMESA-N 1 0 310.828 4.573 20 30 DJEDRO CC1(C(=O)NCc2cccc(-c3ncc[nH]3)c2)CCCCCC1 ZINC000329713616 336066719 /nfs/dbraw/zinc/06/67/19/336066719.db2.gz RSXQYSZLEHBSEJ-UHFFFAOYSA-N 1 0 311.429 4.894 20 30 DJEDRO CC([NH2+]Cc1ccc(C#N)cc1)(c1ccccc1)c1ccccc1 ZINC000103346818 336240203 /nfs/dbraw/zinc/24/02/03/336240203.db2.gz MERAJDJUTFLJHY-UHFFFAOYSA-N 1 0 312.416 4.612 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000532793022 336271411 /nfs/dbraw/zinc/27/14/11/336271411.db2.gz IWOYPVOYPKKBDQ-UHFFFAOYSA-N 1 0 300.421 4.635 20 30 DJEDRO CC(C)CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000325111023 336279267 /nfs/dbraw/zinc/27/92/67/336279267.db2.gz FIYISQMGLVLWCT-KRWDZBQOSA-N 1 0 322.452 4.834 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000192936271 336285337 /nfs/dbraw/zinc/28/53/37/336285337.db2.gz FQRZQEYPKWXYHQ-UONOGXRCSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988813 336286573 /nfs/dbraw/zinc/28/65/73/336286573.db2.gz LVLBGLZCYIDHEX-YVEFUNNKSA-N 1 0 312.413 4.585 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000034992793 336385139 /nfs/dbraw/zinc/38/51/39/336385139.db2.gz DRNFWHQMGONPRY-CQSZACIVSA-N 1 0 301.817 4.756 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250716 336408244 /nfs/dbraw/zinc/40/82/44/336408244.db2.gz GGPZSOORWXHPLQ-YJBOKZPZSA-N 1 0 311.425 4.759 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000353914702 336447760 /nfs/dbraw/zinc/44/77/60/336447760.db2.gz LFLPMEIMRBOGPS-IBGZPJMESA-N 1 0 304.393 4.958 20 30 DJEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CS1 ZINC000353916352 336448088 /nfs/dbraw/zinc/44/80/88/336448088.db2.gz QBRHYXQMCZECBZ-KURKYZTESA-N 1 0 316.514 4.931 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cncc(C(F)(F)F)c1)c1ccccc1 ZINC000361348070 336752634 /nfs/dbraw/zinc/75/26/34/336752634.db2.gz GXMBDPZGACKOKL-QGZVFWFLSA-N 1 0 320.358 4.898 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000362529938 336802621 /nfs/dbraw/zinc/80/26/21/336802621.db2.gz UHDQPCLHDCXCJM-QGZVFWFLSA-N 1 0 302.780 4.614 20 30 DJEDRO CSc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418145246 336896804 /nfs/dbraw/zinc/89/68/04/336896804.db2.gz MTCDMRUODIGXGL-INIZCTEOSA-N 1 0 314.479 4.509 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000418151148 336898118 /nfs/dbraw/zinc/89/81/18/336898118.db2.gz WSNJPEOMYXYDAF-SFHVURJKSA-N 1 0 314.791 4.518 20 30 DJEDRO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376559764 337036844 /nfs/dbraw/zinc/03/68/44/337036844.db2.gz ZCPCSRXMNHGLOP-MRXNPFEDSA-N 1 0 303.450 4.611 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-c2cccnc2)cc1 ZINC000176981452 337154038 /nfs/dbraw/zinc/15/40/38/337154038.db2.gz DGRUMNMIUVUMJR-CQSZACIVSA-N 1 0 319.433 4.533 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805249 337250425 /nfs/dbraw/zinc/25/04/25/337250425.db2.gz FBRGAZSEWFZLPB-LNSITVRQSA-N 1 0 306.862 4.549 20 30 DJEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)CCO1 ZINC000583243394 337285459 /nfs/dbraw/zinc/28/54/59/337285459.db2.gz UAQDELWMRCMJEH-UFYCRDLUSA-N 1 0 314.473 4.583 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035253571 337342097 /nfs/dbraw/zinc/34/20/97/337342097.db2.gz JAHQFFZPBQEDIU-GFCCVEGCSA-N 1 0 307.846 4.817 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](c3ccc(F)cc3)C1)CC2 ZINC000583842475 337342780 /nfs/dbraw/zinc/34/27/80/337342780.db2.gz VLFQJXXGXDCDMK-FBBABVLZSA-N 1 0 320.411 4.611 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1Cl ZINC000237827009 337469565 /nfs/dbraw/zinc/46/95/65/337469565.db2.gz HESXMIQDRJHIBW-INIZCTEOSA-N 1 0 317.816 4.665 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438955 337489816 /nfs/dbraw/zinc/48/98/16/337489816.db2.gz ZOEQPVMTHOMERD-SUMWQHHRSA-N 1 0 309.400 4.519 20 30 DJEDRO CC(C)CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000571790210 337577053 /nfs/dbraw/zinc/57/70/53/337577053.db2.gz CNAHNQQUXDJUDT-YJBOKZPZSA-N 1 0 317.864 4.850 20 30 DJEDRO CCC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000572009998 337586331 /nfs/dbraw/zinc/58/63/31/337586331.db2.gz QPSWTRXBMJHRGF-MAUKXSAKSA-N 1 0 316.876 4.776 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000161491062 337588418 /nfs/dbraw/zinc/58/84/18/337588418.db2.gz KPOILKCGQOJJQI-IBGZPJMESA-N 1 0 310.441 4.523 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000161522580 337591218 /nfs/dbraw/zinc/59/12/18/337591218.db2.gz MDIAZHGROMPEIL-CQSZACIVSA-N 1 0 324.449 4.712 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000421880617 337658487 /nfs/dbraw/zinc/65/84/87/337658487.db2.gz QOWQJYVBKBQRIA-DYVFJYSZSA-N 1 0 300.352 4.605 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)CC2 ZINC000421880576 337658553 /nfs/dbraw/zinc/65/85/53/337658553.db2.gz QNCXCHAPGKYUIP-ROUUACIJSA-N 1 0 312.363 4.532 20 30 DJEDRO C[C@@H]([NH2+][C@H](CC(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000421880605 337658596 /nfs/dbraw/zinc/65/85/96/337658596.db2.gz QOWQJYVBKBQRIA-CXAGYDPISA-N 1 0 300.352 4.605 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CC(F)F)c1ccccc1)CC2 ZINC000421880558 337658600 /nfs/dbraw/zinc/65/86/00/337658600.db2.gz QNCXCHAPGKYUIP-MSOLQXFVSA-N 1 0 312.363 4.532 20 30 DJEDRO Cc1cc(C[NH2+]C(C)(C)c2nc3ccccc3s2)ccc1C#N ZINC000527744068 337760867 /nfs/dbraw/zinc/76/08/67/337760867.db2.gz KGMJQWWDOKJSMX-UHFFFAOYSA-N 1 0 321.449 4.501 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(C#N)cc1 ZINC000527850739 337769129 /nfs/dbraw/zinc/76/91/29/337769129.db2.gz KLRNHWXQSDVMPG-ZMZPIMSZSA-N 1 0 314.791 4.689 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000124884737 337812713 /nfs/dbraw/zinc/81/27/13/337812713.db2.gz HCFCPNLUTGJHHA-CHWSQXEVSA-N 1 0 318.342 4.989 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000424327918 337821678 /nfs/dbraw/zinc/82/16/78/337821678.db2.gz NHSWYEIGSTUNIN-IEAZIUSSSA-N 1 0 322.374 4.623 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000533230216 337837070 /nfs/dbraw/zinc/83/70/70/337837070.db2.gz XPDVKGORZMDKNW-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000537294799 337928949 /nfs/dbraw/zinc/92/89/49/337928949.db2.gz GCTNKXPIYLKMRW-CQSZACIVSA-N 1 0 310.828 4.594 20 30 DJEDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000537305126 337929928 /nfs/dbraw/zinc/92/99/28/337929928.db2.gz CTOXEQMIXREFPX-AWEZNQCLSA-N 1 0 310.828 4.594 20 30 DJEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406663 337933617 /nfs/dbraw/zinc/93/36/17/337933617.db2.gz JPPYPGVXGILCRP-JLTOFOAXSA-N 1 0 308.400 4.889 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000537423983 337935857 /nfs/dbraw/zinc/93/58/57/337935857.db2.gz XVWBPZRMJUJMOD-UHFFFAOYSA-N 1 0 316.448 4.669 20 30 DJEDRO CC(C)CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000537465072 337938456 /nfs/dbraw/zinc/93/84/56/337938456.db2.gz CDRJBFJXTNEMRO-QGZVFWFLSA-N 1 0 322.452 4.834 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccco1 ZINC000516308473 338009521 /nfs/dbraw/zinc/00/95/21/338009521.db2.gz PSWBSJWNXNVION-HNNXBMFYSA-N 1 0 318.486 4.873 20 30 DJEDRO CCSc1cccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)c1 ZINC000426348770 338028310 /nfs/dbraw/zinc/02/83/10/338028310.db2.gz BZOVUXNMWVJWBV-LJQANCHMSA-N 1 0 310.466 4.911 20 30 DJEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000426401756 338030816 /nfs/dbraw/zinc/03/08/16/338030816.db2.gz HARFFFGQYYQZPZ-KRWDZBQOSA-N 1 0 301.842 4.590 20 30 DJEDRO Cc1cccc(C2([NH2+]Cc3cccc(F)c3C#N)CCCC2)c1 ZINC000428382191 338049568 /nfs/dbraw/zinc/04/95/68/338049568.db2.gz IUAHIZIIOCGUHT-UHFFFAOYSA-N 1 0 308.400 4.565 20 30 DJEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCCCC#N)ccc1Br ZINC000430238504 338102665 /nfs/dbraw/zinc/10/26/65/338102665.db2.gz KNXMHVUDSMIOIU-INIZCTEOSA-N 1 0 321.262 4.588 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(-c2ccccc2F)s1 ZINC000430722042 338112319 /nfs/dbraw/zinc/11/23/19/338112319.db2.gz DZVXIWJFEJUMOU-ZDUSSCGKSA-N 1 0 314.429 4.899 20 30 DJEDRO CC(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430733228 338112627 /nfs/dbraw/zinc/11/26/27/338112627.db2.gz DWOMORSSIDAJQG-OAHLLOKOSA-N 1 0 310.363 4.686 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430744198 338113221 /nfs/dbraw/zinc/11/32/21/338113221.db2.gz NIPRBEUWTLVSQW-INIZCTEOSA-N 1 0 320.436 4.707 20 30 DJEDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1(CC#N)CC1 ZINC000430747548 338113383 /nfs/dbraw/zinc/11/33/83/338113383.db2.gz XVQFTBAMXRWNRJ-AWEZNQCLSA-N 1 0 311.256 4.598 20 30 DJEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433017965 338176406 /nfs/dbraw/zinc/17/64/06/338176406.db2.gz DOVFGZUDKBDXRH-YZGWKJHDSA-N 1 0 314.473 4.606 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccccc1 ZINC000433019934 338176540 /nfs/dbraw/zinc/17/65/40/338176540.db2.gz QRLGTWLWKMHLIN-MRXNPFEDSA-N 1 0 311.454 4.545 20 30 DJEDRO COc1ccccc1CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433019104 338176591 /nfs/dbraw/zinc/17/65/91/338176591.db2.gz LPGPMYTZLOUHAY-FQEVSTJZSA-N 1 0 322.452 4.653 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)cc1 ZINC000433100777 338181737 /nfs/dbraw/zinc/18/17/37/338181737.db2.gz NBOWWFXXVRMLGH-QGZVFWFLSA-N 1 0 320.770 4.731 20 30 DJEDRO Cc1ccc2cc([C@H](C)[NH2+]Cc3ccc(CC#N)cc3)oc2c1 ZINC000572482377 338231272 /nfs/dbraw/zinc/23/12/72/338231272.db2.gz PRYGJPATPRGICK-HNNXBMFYSA-N 1 0 304.393 4.658 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000436287991 338266373 /nfs/dbraw/zinc/26/63/73/338266373.db2.gz UMIZABMYCQILSN-MKBNYLNASA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000436291926 338266624 /nfs/dbraw/zinc/26/66/24/338266624.db2.gz QZWOHKZNHRPUGY-KNBMTAEXSA-N 1 0 311.425 4.578 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000436305896 338268025 /nfs/dbraw/zinc/26/80/25/338268025.db2.gz IGFQJKDLDOMRBB-AYBZRNKSSA-N 1 0 319.514 4.819 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000436308076 338268215 /nfs/dbraw/zinc/26/82/15/338268215.db2.gz SNBDRJHOSVQEBA-ODVANORSSA-N 1 0 322.374 4.623 20 30 DJEDRO CC[N@H+](Cc1cc2c(cccc2F)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000437579072 338314281 /nfs/dbraw/zinc/31/42/81/338314281.db2.gz NHBOEQJWNIWYBY-AWEZNQCLSA-N 1 0 321.399 4.762 20 30 DJEDRO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439425553 338368965 /nfs/dbraw/zinc/36/89/65/338368965.db2.gz URCPMRQSXVBGHZ-NSHDSACASA-N 1 0 320.770 4.683 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)ccc1F ZINC000439435618 338369299 /nfs/dbraw/zinc/36/92/99/338369299.db2.gz FRRVQGINQZIREU-GFCCVEGCSA-N 1 0 302.780 4.510 20 30 DJEDRO Cc1c2cc(Cl)ccc2sc1C[NH2+]Cc1ccc(C#N)o1 ZINC000441361106 338410461 /nfs/dbraw/zinc/41/04/61/338410461.db2.gz SEMWGNSEXFOWEJ-UHFFFAOYSA-N 1 0 316.813 4.618 20 30 DJEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000441380049 338411020 /nfs/dbraw/zinc/41/10/20/338411020.db2.gz OWLPGIFANYSXDS-SFHVURJKSA-N 1 0 310.466 4.813 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000442133766 338421771 /nfs/dbraw/zinc/42/17/71/338421771.db2.gz OICCEOKPFOHOGJ-HIFPTAJRSA-N 1 0 311.256 4.974 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-c2ccncc2)cc1 ZINC000442873696 338437061 /nfs/dbraw/zinc/43/70/61/338437061.db2.gz LBQPFYFLNNPMOS-AOCRQIFASA-N 1 0 319.452 4.729 20 30 DJEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000446758095 338535170 /nfs/dbraw/zinc/53/51/70/338535170.db2.gz FUFOFIOLXTZRBC-AEFFLSMTSA-N 1 0 322.452 4.799 20 30 DJEDRO CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000447509613 338553162 /nfs/dbraw/zinc/55/31/62/338553162.db2.gz GHGXTCQVCYBMFG-KRWDZBQOSA-N 1 0 318.342 4.818 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447512811 338553260 /nfs/dbraw/zinc/55/32/60/338553260.db2.gz QVWDELUXCRXTFK-ACJLOTCBSA-N 1 0 312.388 4.508 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447511183 338553309 /nfs/dbraw/zinc/55/33/09/338553309.db2.gz SFNSQUXFQFXYNM-KPZWWZAWSA-N 1 0 300.352 4.638 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(F)c1)c1ccc(C#N)cc1 ZINC000447512812 338553321 /nfs/dbraw/zinc/55/33/21/338553321.db2.gz QVWDELUXCRXTFK-FZKQIMNGSA-N 1 0 312.388 4.508 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 ZINC000447531209 338554559 /nfs/dbraw/zinc/55/45/59/338554559.db2.gz QGEKMJMWHRLJLL-SFTDATJTSA-N 1 0 312.501 4.501 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000447584434 338559225 /nfs/dbraw/zinc/55/92/25/338559225.db2.gz GAIXWPZZCMQNMJ-XJKSGUPXSA-N 1 0 322.374 4.757 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447585945 338559469 /nfs/dbraw/zinc/55/94/69/338559469.db2.gz LCLJMEYLBWSETC-OIISXLGYSA-N 1 0 324.390 4.968 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000447587156 338559777 /nfs/dbraw/zinc/55/97/77/338559777.db2.gz PAWKNZFUXODKKX-ULQDDVLXSA-N 1 0 324.390 4.968 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000447823793 338568010 /nfs/dbraw/zinc/56/80/10/338568010.db2.gz WOEACVQWSTXEED-IBGZPJMESA-N 1 0 317.436 4.874 20 30 DJEDRO CCSc1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449124829 338595339 /nfs/dbraw/zinc/59/53/39/338595339.db2.gz HNZJJHAQVBGFCT-MXWWQKGMSA-N 1 0 302.487 4.922 20 30 DJEDRO Cc1ccccc1-c1ccccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000449229903 338604483 /nfs/dbraw/zinc/60/44/83/338604483.db2.gz FVTXTQLQHCPKSX-UHFFFAOYSA-N 1 0 304.437 4.788 20 30 DJEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449233197 338604865 /nfs/dbraw/zinc/60/48/65/338604865.db2.gz XUUAGBDERPNAFU-KTAKPFMOSA-N 1 0 324.390 4.698 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cc2cccc(F)c2o1 ZINC000449280730 338609116 /nfs/dbraw/zinc/60/91/16/338609116.db2.gz YHZLWSSFBSUZRC-DTVQEZCTSA-N 1 0 300.377 4.695 20 30 DJEDRO CC1(C#N)CCC([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000449340905 338614917 /nfs/dbraw/zinc/61/49/17/338614917.db2.gz RADZXVXDSXCYGK-AQFXKWCLSA-N 1 0 324.390 4.785 20 30 DJEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444339 338624609 /nfs/dbraw/zinc/62/46/09/338624609.db2.gz ADDMYFPCUSWZKY-QRTARXTBSA-N 1 0 324.390 4.698 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000449447550 338624927 /nfs/dbraw/zinc/62/49/27/338624927.db2.gz ZWWLKTNEAYLVSW-KBPBESRZSA-N 1 0 314.429 4.726 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC000451065618 338720344 /nfs/dbraw/zinc/72/03/44/338720344.db2.gz RNTCAYYHBGFGTO-IRXDYDNUSA-N 1 0 306.400 4.837 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451356699 338730972 /nfs/dbraw/zinc/73/09/72/338730972.db2.gz RWTUHOMRBYQNEU-INIZCTEOSA-N 1 0 308.828 4.850 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Oc2ccccc2)cn1 ZINC000453241731 338812954 /nfs/dbraw/zinc/81/29/54/338812954.db2.gz ZMEZAHKVNGIAJA-INIZCTEOSA-N 1 0 323.440 4.854 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)c1cccc(C#N)c1 ZINC000453249467 338814235 /nfs/dbraw/zinc/81/42/35/338814235.db2.gz UELCKMMAEGZNOF-BUXKBTBVSA-N 1 0 312.363 4.565 20 30 DJEDRO CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000453285668 338818680 /nfs/dbraw/zinc/81/86/80/338818680.db2.gz CLVCLGWALLCHER-VYDXJSESSA-N 1 0 302.487 4.920 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(c1ccccc1)c1ccccc1 ZINC000453285597 338818690 /nfs/dbraw/zinc/81/86/90/338818690.db2.gz BWZCAIFOAYGQAD-WFXMLNOXSA-N 1 0 318.464 4.879 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCCO2 ZINC000453287541 338819033 /nfs/dbraw/zinc/81/90/33/338819033.db2.gz GNDYNWKRSBGXMN-IEZWGBDMSA-N 1 0 312.457 4.696 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000453292778 338819744 /nfs/dbraw/zinc/81/97/44/338819744.db2.gz PCEGVPXPTMDUMP-AFAVFJNCSA-N 1 0 322.374 4.828 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453294076 338819928 /nfs/dbraw/zinc/81/99/28/338819928.db2.gz QMSIAUIWQNZFND-DOPJRALCSA-N 1 0 302.849 4.853 20 30 DJEDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000462553738 339081283 /nfs/dbraw/zinc/08/12/83/339081283.db2.gz QJSSXUKKINGFII-IEBWSBKVSA-N 1 0 310.466 4.669 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000462843342 339093889 /nfs/dbraw/zinc/09/38/89/339093889.db2.gz TVYGEZSKVWURIH-VWKPWSFCSA-N 1 0 304.437 4.923 20 30 DJEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463241821 339111344 /nfs/dbraw/zinc/11/13/44/339111344.db2.gz DLTNAFXYVNGIKF-ZQDZILKHSA-N 1 0 324.390 4.869 20 30 DJEDRO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463246649 339111790 /nfs/dbraw/zinc/11/17/90/339111790.db2.gz RTZATEXYNKKOLA-CKEIUWERSA-N 1 0 324.390 4.871 20 30 DJEDRO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463246650 339111850 /nfs/dbraw/zinc/11/18/50/339111850.db2.gz RTZATEXYNKKOLA-CPUCHLNUSA-N 1 0 324.390 4.871 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000463278893 339112927 /nfs/dbraw/zinc/11/29/27/339112927.db2.gz DTAWOHDRSAKKJO-WIYYLYMNSA-N 1 0 318.464 4.881 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000463278890 339113000 /nfs/dbraw/zinc/11/30/00/339113000.db2.gz DTAWOHDRSAKKJO-GHTZIAJQSA-N 1 0 318.464 4.881 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463288134 339113385 /nfs/dbraw/zinc/11/33/85/339113385.db2.gz LTQGTXQRZBULSQ-XUJVJEKNSA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000463290530 339113637 /nfs/dbraw/zinc/11/36/37/339113637.db2.gz KGGVUOJSPNEKDU-SJORKVTESA-N 1 0 314.498 4.763 20 30 DJEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000463904053 339128525 /nfs/dbraw/zinc/12/85/25/339128525.db2.gz HHTPJKYQLUUJST-MGPUTAFESA-N 1 0 310.416 4.615 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000464873994 339159664 /nfs/dbraw/zinc/15/96/64/339159664.db2.gz ASNWDCYJDKBQRY-UHFFFAOYSA-N 1 0 316.464 4.943 20 30 DJEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000467376100 339235331 /nfs/dbraw/zinc/23/53/31/339235331.db2.gz IMTHBTBDXAVZHP-AHRSYUTCSA-N 1 0 319.452 4.639 20 30 DJEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000467436306 339238491 /nfs/dbraw/zinc/23/84/91/339238491.db2.gz OGEHSZCPKWECEG-AWEZNQCLSA-N 1 0 304.846 4.557 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446320 339239148 /nfs/dbraw/zinc/23/91/48/339239148.db2.gz DLSXRFXPVQTMDL-AAEUAGOBSA-N 1 0 309.240 4.654 20 30 DJEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H](C)c1ccc(Cl)cc1 ZINC000467448060 339239322 /nfs/dbraw/zinc/23/93/22/339239322.db2.gz CLYWIRZBQYGNLT-LSDHHAIUSA-N 1 0 312.844 4.536 20 30 DJEDRO C=C[C@](C)(CC)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000468004393 339251017 /nfs/dbraw/zinc/25/10/17/339251017.db2.gz LGGCLUXWJWKABL-HXUWFJFHSA-N 1 0 314.473 4.589 20 30 DJEDRO C=CCCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000471578455 339347993 /nfs/dbraw/zinc/34/79/93/339347993.db2.gz RAKNZGAIBSWGEH-HXUWFJFHSA-N 1 0 306.409 4.863 20 30 DJEDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619023 339349760 /nfs/dbraw/zinc/34/97/60/339349760.db2.gz MCBWLPQGMDTXEM-WQVCFCJDSA-N 1 0 310.363 4.828 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000474102592 339402713 /nfs/dbraw/zinc/40/27/13/339402713.db2.gz BLHJKKNBOGQMBE-CHWSQXEVSA-N 1 0 308.356 4.855 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000474107982 339403109 /nfs/dbraw/zinc/40/31/09/339403109.db2.gz SQFXREIWHDIRGV-QWHCGFSZSA-N 1 0 308.356 4.855 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000474481111 339416892 /nfs/dbraw/zinc/41/68/92/339416892.db2.gz UFBSLQNGSJGZOJ-UDNWOHKBSA-N 1 0 324.390 4.966 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000479489701 339537734 /nfs/dbraw/zinc/53/77/34/339537734.db2.gz NDGGPJKKMQIZHR-DCPHZVHLSA-N 1 0 308.400 4.684 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)c1 ZINC000480815425 339588175 /nfs/dbraw/zinc/58/81/75/339588175.db2.gz VHLKUAJPMUGGJI-IBGZPJMESA-N 1 0 310.828 4.769 20 30 DJEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000480879672 339589339 /nfs/dbraw/zinc/58/93/39/339589339.db2.gz UAHWAAFHVDZFLG-MRXNPFEDSA-N 1 0 302.830 4.514 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000481638843 339608079 /nfs/dbraw/zinc/60/80/79/339608079.db2.gz AWDYRYBOHXFRSH-INIZCTEOSA-N 1 0 316.857 4.830 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CSc2ccccc21 ZINC000481667178 339609213 /nfs/dbraw/zinc/60/92/13/339609213.db2.gz GTSYPVUCYLVJSI-RBUKOAKNSA-N 1 0 320.461 4.762 20 30 DJEDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922512 339616811 /nfs/dbraw/zinc/61/68/11/339616811.db2.gz PEOWVEBINYXVKP-VFNWGFHPSA-N 1 0 320.436 4.685 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000483830438 339675483 /nfs/dbraw/zinc/67/54/83/339675483.db2.gz OIGLBHPAHJBMPD-QFIPXVFZSA-N 1 0 318.464 4.829 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1F ZINC000484057095 339680312 /nfs/dbraw/zinc/68/03/12/339680312.db2.gz NPIOASPOIYGVAD-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc2ncsc2c1)c1ccc(C#N)cc1 ZINC000485817780 339713644 /nfs/dbraw/zinc/71/36/44/339713644.db2.gz LFBWDQNVBKNKFA-CHWSQXEVSA-N 1 0 307.422 4.580 20 30 DJEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488152227 339772039 /nfs/dbraw/zinc/77/20/39/339772039.db2.gz QENWQJMKXPKLFQ-HXUWFJFHSA-N 1 0 322.452 4.752 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000492259220 339895643 /nfs/dbraw/zinc/89/56/43/339895643.db2.gz OMOHPILFGWCXHK-GFCCVEGCSA-N 1 0 308.859 4.502 20 30 DJEDRO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)c1 ZINC000492461794 339901197 /nfs/dbraw/zinc/90/11/97/339901197.db2.gz LMHGYQQRHFKBFW-UHFFFAOYSA-N 1 0 322.408 4.716 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000494396580 339948245 /nfs/dbraw/zinc/94/82/45/339948245.db2.gz XEKYVOBXBOEPJL-MNOVXSKESA-N 1 0 306.397 4.947 20 30 DJEDRO Cc1cscc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000494452227 339949697 /nfs/dbraw/zinc/94/96/97/339949697.db2.gz NSLKDVQAEUCYPU-UHFFFAOYSA-N 1 0 310.466 4.550 20 30 DJEDRO N#CCCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000494980702 339968651 /nfs/dbraw/zinc/96/86/51/339968651.db2.gz PFESYGPHSSJHQS-OAHLLOKOSA-N 1 0 304.846 4.579 20 30 DJEDRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000495029550 339970728 /nfs/dbraw/zinc/97/07/28/339970728.db2.gz NZTHTYWRYQEIRT-OLZOCXBDSA-N 1 0 310.363 4.564 20 30 DJEDRO CC(C)CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000499608956 340040863 /nfs/dbraw/zinc/04/08/63/340040863.db2.gz HELWHMNAUCQBLO-KRWDZBQOSA-N 1 0 308.510 4.527 20 30 DJEDRO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000501561757 340083764 /nfs/dbraw/zinc/08/37/64/340083764.db2.gz QAOLEPIVGRTWMU-GFCCVEGCSA-N 1 0 316.857 4.784 20 30 DJEDRO C[C@H](c1ccc(F)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502513186 340106582 /nfs/dbraw/zinc/10/65/82/340106582.db2.gz WNLKBJZZIMLMMO-OAHLLOKOSA-N 1 0 306.384 4.548 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853761 340135193 /nfs/dbraw/zinc/13/51/93/340135193.db2.gz FGKULZSMNFWZHV-BFUOFWGJSA-N 1 0 314.379 4.884 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000503858035 340135218 /nfs/dbraw/zinc/13/52/18/340135218.db2.gz KKVXGNDZLYWOQC-DJJJIMSYSA-N 1 0 314.379 4.884 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000503858037 340135345 /nfs/dbraw/zinc/13/53/45/340135345.db2.gz KKVXGNDZLYWOQC-ORAYPTAESA-N 1 0 314.379 4.884 20 30 DJEDRO CC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)c1ccc(C#N)cc1 ZINC000479459477 340151852 /nfs/dbraw/zinc/15/18/52/340151852.db2.gz WSNVZQTXCLIYTN-IBGZPJMESA-N 1 0 317.436 4.599 20 30 DJEDRO COc1ccc2cc(C[N@H+](C)CC(C)(C)CCC#N)ccc2c1 ZINC000506039950 340184111 /nfs/dbraw/zinc/18/41/11/340184111.db2.gz FPCWWUWSBWECQF-UHFFFAOYSA-N 1 0 310.441 4.610 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)cc1F ZINC000506221800 340189019 /nfs/dbraw/zinc/18/90/19/340189019.db2.gz VWYBSPQPPATYEE-BBATYDOGSA-N 1 0 314.791 4.689 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)s1)Cc1cccc(Cl)c1 ZINC000507146848 340209649 /nfs/dbraw/zinc/20/96/49/340209649.db2.gz XXOONRVGEKDELL-UHFFFAOYSA-N 1 0 304.846 4.684 20 30 DJEDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000507195715 340212506 /nfs/dbraw/zinc/21/25/06/340212506.db2.gz VLFAQBGZWGJXBG-GOSISDBHSA-N 1 0 322.452 4.871 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c(C)o1 ZINC000507627497 340226873 /nfs/dbraw/zinc/22/68/73/340226873.db2.gz ATSUUUBFUFWIFB-YLZJTPGZSA-N 1 0 322.452 4.951 20 30 DJEDRO Cc1ccc(-c2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)cc1 ZINC000507709334 340229049 /nfs/dbraw/zinc/22/90/49/340229049.db2.gz POECNBOFMOVNMA-UHFFFAOYSA-N 1 0 304.437 4.788 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1cccc(C(F)(F)F)c1 ZINC000508531751 340245797 /nfs/dbraw/zinc/24/57/97/340245797.db2.gz PSPJGHYJGGAFHV-UHFFFAOYSA-N 1 0 322.330 4.581 20 30 DJEDRO CC[N@H+](Cc1cccc2[nH]ccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602478 340247657 /nfs/dbraw/zinc/24/76/57/340247657.db2.gz DWQAYYZMFAOKMR-HNNXBMFYSA-N 1 0 303.409 4.623 20 30 DJEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000508968575 340256633 /nfs/dbraw/zinc/25/66/33/340256633.db2.gz XVHDPXBWOVVBIT-MRXNPFEDSA-N 1 0 308.425 4.556 20 30 DJEDRO C=C(C)CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000508976369 340256714 /nfs/dbraw/zinc/25/67/14/340256714.db2.gz IWQFMKDHPFJTOQ-CYBMUJFWSA-N 1 0 316.470 4.744 20 30 DJEDRO C=C(C)CC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000509023193 340258506 /nfs/dbraw/zinc/25/85/06/340258506.db2.gz VGZRMRINEYDHCX-GFCCVEGCSA-N 1 0 304.434 4.874 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C#N)cc1F ZINC000509023998 340258676 /nfs/dbraw/zinc/25/86/76/340258676.db2.gz ZRDQBIWXOLIPMP-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO C=C(C)CC[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000509366708 340267380 /nfs/dbraw/zinc/26/73/80/340267380.db2.gz PRUNKVZLLLAJIQ-KRWDZBQOSA-N 1 0 311.473 4.763 20 30 DJEDRO CCN(Cc1ccc(-c2ccccc2Cl)o1)C[C@H](C)C#N ZINC000509796865 340279375 /nfs/dbraw/zinc/27/93/75/340279375.db2.gz DOUNGCZEKLSRCF-CYBMUJFWSA-N 1 0 302.805 4.582 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000510173564 340291395 /nfs/dbraw/zinc/29/13/95/340291395.db2.gz AQAKEXSCXHWEGS-UHFFFAOYSA-N 1 0 323.223 4.869 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510216812 340292852 /nfs/dbraw/zinc/29/28/52/340292852.db2.gz WYHXOZNKGRPXST-UHFFFAOYSA-N 1 0 304.865 4.882 20 30 DJEDRO CC(C)[N@H+](CCSc1ccccc1)Cc1ccc(C#N)cc1 ZINC000510233334 340293409 /nfs/dbraw/zinc/29/34/09/340293409.db2.gz JEZQNSZLZREHER-UHFFFAOYSA-N 1 0 310.466 4.561 20 30 DJEDRO C=C(C[NH2+]Cc1ccc(Sc2ccccn2)o1)c1ccccc1 ZINC000510283550 340295049 /nfs/dbraw/zinc/29/50/49/340295049.db2.gz OPNRQFQCHBACCK-UHFFFAOYSA-N 1 0 322.433 4.629 20 30 DJEDRO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000510654490 340305124 /nfs/dbraw/zinc/30/51/24/340305124.db2.gz YGJBXHIHWWVACK-ZIAGYGMSSA-N 1 0 314.379 4.508 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cc2ccccc2o1 ZINC000511764658 340337623 /nfs/dbraw/zinc/33/76/23/340337623.db2.gz HOVXTZUIIHLFPT-AWEZNQCLSA-N 1 0 308.381 4.871 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512288096 340355604 /nfs/dbraw/zinc/35/56/04/340355604.db2.gz MAGGRAKZJIIZIV-YRVVQQKDSA-N 1 0 308.400 4.672 20 30 DJEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cccc(F)c1 ZINC000512531859 340365766 /nfs/dbraw/zinc/36/57/66/340365766.db2.gz KDEYVPIMJMGXEB-MRXNPFEDSA-N 1 0 315.436 4.742 20 30 DJEDRO C=C(C)C[N@@H+](C/C=C/c1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512532779 340365773 /nfs/dbraw/zinc/36/57/73/340365773.db2.gz VECSIXRHCADCAS-DHZHZOJOSA-N 1 0 309.457 4.556 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(Cl)c1 ZINC000512621281 340369334 /nfs/dbraw/zinc/36/93/34/340369334.db2.gz WFKIIINHNIVPQT-GHMZBOCLSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCCC2 ZINC000512625403 340369727 /nfs/dbraw/zinc/36/97/27/340369727.db2.gz NXZWNFZSJULXIX-HUUCEWRRSA-N 1 0 322.427 4.988 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1F ZINC000512626870 340369768 /nfs/dbraw/zinc/36/97/68/340369768.db2.gz XCHNTCMZZBMVGH-CQSZACIVSA-N 1 0 310.416 4.846 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000512630044 340370007 /nfs/dbraw/zinc/37/00/07/340370007.db2.gz LGIYBGROWAZYHF-VOJFVSQTSA-N 1 0 314.791 4.689 20 30 DJEDRO C[C@H]([NH2+]Cc1csc2ccccc12)c1ccc(C#N)cc1F ZINC000512640729 340370391 /nfs/dbraw/zinc/37/03/91/340370391.db2.gz ABZBLDCLNOXBNL-LBPRGKRZSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@H]([NH2+][C@@H](c1cccs1)C1CC1)c1ccc(C#N)cc1F ZINC000512661604 340371683 /nfs/dbraw/zinc/37/16/83/340371683.db2.gz SXOLYPIZLKFAJB-APPDUMDISA-N 1 0 300.402 4.561 20 30 DJEDRO CC(C)[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1 ZINC000513018271 340388783 /nfs/dbraw/zinc/38/87/83/340388783.db2.gz XUVXMNVOVSBEPL-QGZVFWFLSA-N 1 0 306.881 4.999 20 30 DJEDRO Cc1ccc(C[N@H+](CCCC(C)(C)C#N)Cc2ccco2)s1 ZINC000174834123 340397062 /nfs/dbraw/zinc/39/70/62/340397062.db2.gz MWNBFCVWBQZUNU-UHFFFAOYSA-N 1 0 316.470 4.982 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccco1 ZINC000513698183 340420106 /nfs/dbraw/zinc/42/01/06/340420106.db2.gz XJSOQRPQMBNHGE-HNNXBMFYSA-N 1 0 307.340 4.678 20 30 DJEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1F ZINC000517722275 340476108 /nfs/dbraw/zinc/47/61/08/340476108.db2.gz YVGNYVXEIYSCSH-KUHUBIRLSA-N 1 0 308.400 4.542 20 30 DJEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000191029127 340549307 /nfs/dbraw/zinc/54/93/07/340549307.db2.gz ZCRZAGCWUHSSTF-INIZCTEOSA-N 1 0 308.425 4.506 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000523935670 340644385 /nfs/dbraw/zinc/64/43/85/340644385.db2.gz BRXFPJKASSPPAL-MGPUTAFESA-N 1 0 318.420 4.646 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000124884194 340801290 /nfs/dbraw/zinc/80/12/90/340801290.db2.gz HCFCPNLUTGJHHA-OLZOCXBDSA-N 1 0 318.342 4.989 20 30 DJEDRO N#CCSCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000538207530 340813392 /nfs/dbraw/zinc/81/33/92/340813392.db2.gz FTZAHVCBRXQMFF-QGZVFWFLSA-N 1 0 322.905 4.808 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092338 340872780 /nfs/dbraw/zinc/87/27/80/340872780.db2.gz VZOQXAFURJQASI-GOSISDBHSA-N 1 0 321.892 4.723 20 30 DJEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000539103827 340873571 /nfs/dbraw/zinc/87/35/71/340873571.db2.gz DNQMVNGSFSDUGA-UHFFFAOYSA-N 1 0 316.379 4.654 20 30 DJEDRO CC(C)(C)C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000539256639 340878695 /nfs/dbraw/zinc/87/86/95/340878695.db2.gz FVVDVDMKGHVMCI-SFHVURJKSA-N 1 0 310.416 4.964 20 30 DJEDRO C[C@@H]([NH2+]CCc1csc2ccccc12)c1cccc(C#N)c1 ZINC000539499878 340887992 /nfs/dbraw/zinc/88/79/92/340887992.db2.gz MNODOINWRBUJDS-CQSZACIVSA-N 1 0 306.434 4.666 20 30 DJEDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000540148409 340917231 /nfs/dbraw/zinc/91/72/31/340917231.db2.gz MXXDXJXLWKURAC-VQIMIIECSA-N 1 0 308.425 4.699 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000542254229 341002036 /nfs/dbraw/zinc/00/20/36/341002036.db2.gz QQWDENHMXNTSKV-OAQYLSRUSA-N 1 0 322.427 4.913 20 30 DJEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000542555563 341013503 /nfs/dbraw/zinc/01/35/03/341013503.db2.gz GTKHWYMWDUFJMW-QGZVFWFLSA-N 1 0 306.453 4.736 20 30 DJEDRO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC000542882870 341024994 /nfs/dbraw/zinc/02/49/94/341024994.db2.gz HXQVUEHVODFXOU-MRXNPFEDSA-N 1 0 321.262 4.526 20 30 DJEDRO CCCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000543182406 341035653 /nfs/dbraw/zinc/03/56/53/341035653.db2.gz REHWSZIRKFZSOH-OAQYLSRUSA-N 1 0 322.452 4.782 20 30 DJEDRO CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000543188280 341035971 /nfs/dbraw/zinc/03/59/71/341035971.db2.gz WWBZFQZCQXDOHJ-OAHLLOKOSA-N 1 0 310.466 4.715 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602137 341050837 /nfs/dbraw/zinc/05/08/37/341050837.db2.gz GRCFCZKRSJWTIA-ORAYPTAESA-N 1 0 310.828 4.940 20 30 DJEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)s1 ZINC000544450132 341082653 /nfs/dbraw/zinc/08/26/53/341082653.db2.gz WISOSSCLONIGOC-LBPRGKRZSA-N 1 0 308.809 4.653 20 30 DJEDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000544841748 341095964 /nfs/dbraw/zinc/09/59/64/341095964.db2.gz PYFLEKFPCUHNGV-LLVKDONJSA-N 1 0 317.248 4.665 20 30 DJEDRO C=CCC[C@H](CC)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000545192233 341112674 /nfs/dbraw/zinc/11/26/74/341112674.db2.gz MPPGQESRVIWWQG-INIZCTEOSA-N 1 0 321.892 4.723 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000545192234 341112755 /nfs/dbraw/zinc/11/27/55/341112755.db2.gz MPPGQESRVIWWQG-MRXNPFEDSA-N 1 0 321.892 4.723 20 30 DJEDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000546178831 341156088 /nfs/dbraw/zinc/15/60/88/341156088.db2.gz MJBSVJVGEZVVFH-VIFPVBQESA-N 1 0 317.248 4.665 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H](C)c1ccccc1 ZINC000237332559 341211905 /nfs/dbraw/zinc/21/19/05/341211905.db2.gz HIFWSNXPGFQHKE-QZTJIDSGSA-N 1 0 322.452 4.651 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000237354531 341212379 /nfs/dbraw/zinc/21/23/79/341212379.db2.gz XYHRQAAMSAWQIZ-VMDGZTHMSA-N 1 0 310.828 4.699 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H](C)c1ccccc1 ZINC000237494102 341214908 /nfs/dbraw/zinc/21/49/08/341214908.db2.gz HIFWSNXPGFQHKE-MSOLQXFVSA-N 1 0 322.452 4.651 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000135101903 341230927 /nfs/dbraw/zinc/23/09/27/341230927.db2.gz DDONRDZZFZOYCL-AWEZNQCLSA-N 1 0 312.844 4.992 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)s1 ZINC000135682725 341244042 /nfs/dbraw/zinc/24/40/42/341244042.db2.gz NCSUAQIHVDRVLQ-INIZCTEOSA-N 1 0 302.468 4.702 20 30 DJEDRO Cc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548935994 341281743 /nfs/dbraw/zinc/28/17/43/341281743.db2.gz GCHPAHWLKQFLHO-INIZCTEOSA-N 1 0 300.405 4.871 20 30 DJEDRO CCCOc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000549832977 341304425 /nfs/dbraw/zinc/30/44/25/341304425.db2.gz GQAXOBCLLLDQAK-UHFFFAOYSA-N 1 0 320.436 4.512 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000550210432 341312522 /nfs/dbraw/zinc/31/25/22/341312522.db2.gz BXEZYGUKXOGEID-MRXNPFEDSA-N 1 0 322.427 4.616 20 30 DJEDRO C[C@@H](F)CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000550271359 341314029 /nfs/dbraw/zinc/31/40/29/341314029.db2.gz MOBQGQWJQCPCAT-MRVPVSSYSA-N 1 0 317.248 4.562 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000550857018 341324710 /nfs/dbraw/zinc/32/47/10/341324710.db2.gz MFCNAQOSICFWPJ-GOSISDBHSA-N 1 0 316.395 4.641 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)c2ccccc21 ZINC000551175849 341333031 /nfs/dbraw/zinc/33/30/31/341333031.db2.gz MZQZDNAWDQUPKF-FHERZECASA-N 1 0 310.416 4.959 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000247335943 341363697 /nfs/dbraw/zinc/36/36/97/341363697.db2.gz NFCAKUBDMMUVLM-NVGVWMPQSA-N 1 0 316.857 4.760 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccco1 ZINC000552062596 341366302 /nfs/dbraw/zinc/36/63/02/341366302.db2.gz AISPFATZFFSQAS-HNNXBMFYSA-N 1 0 305.805 4.739 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccco1 ZINC000552262347 341382329 /nfs/dbraw/zinc/38/23/29/341382329.db2.gz RCJMQBYZLKQKOX-OFLPRAFFSA-N 1 0 305.462 4.860 20 30 DJEDRO COc1ccc([C@H](C)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000552312929 341385671 /nfs/dbraw/zinc/38/56/71/341385671.db2.gz CFMRAJOFMRTQHJ-DYESRHJHSA-N 1 0 322.452 4.823 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2cccc(OC)c2)cc1 ZINC000552322783 341386495 /nfs/dbraw/zinc/38/64/95/341386495.db2.gz YNLFJVRVBALRBA-HXUWFJFHSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccc(CSC)cc1)c1ccco1 ZINC000552339679 341387788 /nfs/dbraw/zinc/38/77/88/341387788.db2.gz DAZNJSDFZULZSC-KRWDZBQOSA-N 1 0 301.455 4.940 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccccc2)cs1 ZINC000248842125 341388364 /nfs/dbraw/zinc/38/83/64/341388364.db2.gz NVALAVZKTPXKLY-SQWLQELKSA-N 1 0 311.454 4.543 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2cccs2)C1 ZINC000248851894 341388513 /nfs/dbraw/zinc/38/85/13/341388513.db2.gz OVWNQGPKHRLSBK-FGTMMUONSA-N 1 0 310.466 4.704 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901989 341389788 /nfs/dbraw/zinc/38/97/88/341389788.db2.gz UNZVAPIYLSENRP-UIAACRFSSA-N 1 0 308.400 4.587 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901983 341389816 /nfs/dbraw/zinc/38/98/16/341389816.db2.gz UNZVAPIYLSENRP-CDHQVMDDSA-N 1 0 308.400 4.587 20 30 DJEDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1 ZINC000552969105 341411081 /nfs/dbraw/zinc/41/10/81/341411081.db2.gz HOMXOUXPMPUAFO-QGZVFWFLSA-N 1 0 306.453 4.955 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl ZINC000552969332 341411095 /nfs/dbraw/zinc/41/10/95/341411095.db2.gz MXLZDHBOBIEHMC-YJYMSZOUSA-N 1 0 310.828 4.940 20 30 DJEDRO CCCOc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000553304997 341424418 /nfs/dbraw/zinc/42/44/18/341424418.db2.gz DJALICPZJNDGKQ-NRFANRHFSA-N 1 0 320.436 4.514 20 30 DJEDRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000554209939 341446744 /nfs/dbraw/zinc/44/67/44/341446744.db2.gz UIAWVBAEBPATMS-LBPRGKRZSA-N 1 0 314.791 4.691 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1OC(F)(F)F ZINC000554367150 341451534 /nfs/dbraw/zinc/45/15/34/341451534.db2.gz UCAYJVFCPLPDJK-LBPRGKRZSA-N 1 0 314.351 4.566 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C(F)(F)F)cc1 ZINC000554955249 341470312 /nfs/dbraw/zinc/47/03/12/341470312.db2.gz UQSVEKSJYYWEDZ-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000152978597 341514973 /nfs/dbraw/zinc/51/49/73/341514973.db2.gz VFRNBMPSARJKIL-MRXNPFEDSA-N 1 0 304.846 4.904 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1 ZINC000565694547 341535389 /nfs/dbraw/zinc/53/53/89/341535389.db2.gz YNBRDZMWJZXGDJ-OALUTQOASA-N 1 0 312.457 4.503 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000154324293 341588069 /nfs/dbraw/zinc/58/80/69/341588069.db2.gz NTVGXAPEUVTREH-XIKOKIGWSA-N 1 0 300.352 4.638 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000268808242 341604263 /nfs/dbraw/zinc/60/42/63/341604263.db2.gz MYZAPFTVAGSQEC-OLZOCXBDSA-N 1 0 316.351 4.571 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C#N)cc1 ZINC000289160167 341606231 /nfs/dbraw/zinc/60/62/31/341606231.db2.gz GYBGKYVXPKCKIH-VLIAUNLRSA-N 1 0 315.420 4.768 20 30 DJEDRO CCCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000572841187 341706177 /nfs/dbraw/zinc/70/61/77/341706177.db2.gz GZUYRFQKFVIAFE-QGZVFWFLSA-N 1 0 322.452 4.782 20 30 DJEDRO CC[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000580514482 341713008 /nfs/dbraw/zinc/71/30/08/341713008.db2.gz KVEITLKYQRETMA-NKELODKYSA-N 1 0 314.473 4.583 20 30 DJEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573843636 341741055 /nfs/dbraw/zinc/74/10/55/341741055.db2.gz VKKLSQATMBQNHZ-RWMBFGLXSA-N 1 0 319.836 4.641 20 30 DJEDRO C[C@@H]([NH2+]CCCSCc1ccccc1)c1ccc(C#N)cc1 ZINC000574465823 341759442 /nfs/dbraw/zinc/75/94/42/341759442.db2.gz RLYAYOOCXCCZOQ-MRXNPFEDSA-N 1 0 310.466 4.532 20 30 DJEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000576197500 341832442 /nfs/dbraw/zinc/83/24/42/341832442.db2.gz HICMKXHZAYEHBV-QVKFZJNVSA-N 1 0 320.436 4.684 20 30 DJEDRO N#CCCC[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccccc1 ZINC000577049213 341880803 /nfs/dbraw/zinc/88/08/03/341880803.db2.gz MBXGFGWDQOLATL-GPJFCIFZSA-N 1 0 312.457 4.503 20 30 DJEDRO N#Cc1csc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000177692293 341924020 /nfs/dbraw/zinc/92/40/20/341924020.db2.gz QDMLFOYNUMZRHB-SFHVURJKSA-N 1 0 314.429 4.780 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1Cl ZINC000177703360 341924287 /nfs/dbraw/zinc/92/42/87/341924287.db2.gz BQAUPHRMFUDCBT-SECBINFHSA-N 1 0 311.237 4.777 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000177702156 341924335 /nfs/dbraw/zinc/92/43/35/341924335.db2.gz JYFHAQUVEJGNHL-MRXNPFEDSA-N 1 0 304.846 4.760 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(F)c1 ZINC000178614466 341959797 /nfs/dbraw/zinc/95/97/97/341959797.db2.gz ZNGAXQASHCXULZ-MRXNPFEDSA-N 1 0 302.418 4.636 20 30 DJEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839311 525585077 /nfs/dbraw/zinc/58/50/77/525585077.db2.gz JPJGHXMOXGAION-BFQNTYOBSA-N 1 0 314.479 4.896 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000126528226 525610742 /nfs/dbraw/zinc/61/07/42/525610742.db2.gz SMSYSSDVHPSQOV-SJORKVTESA-N 1 0 319.452 4.570 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 ZINC000273520418 535805836 /nfs/dbraw/zinc/80/58/36/535805836.db2.gz QMRBKSOCSGVNDK-CYBMUJFWSA-N 1 0 308.809 4.653 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000278680568 535939425 /nfs/dbraw/zinc/93/94/25/535939425.db2.gz JVODBUSWQYSXIV-HKBOAZHASA-N 1 0 320.436 4.519 20 30 DJEDRO C=CCC[C@H](NCc1cc(C(CC)CC)no1)c1ccco1 ZINC000286310179 335034724 /nfs/dbraw/zinc/03/47/24/335034724.db2.gz XCDRWBADQPLJBU-INIZCTEOSA-N 1 0 302.418 4.968 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(SCC)c1)c1ccco1 ZINC000287423911 335046221 /nfs/dbraw/zinc/04/62/21/335046221.db2.gz KGOJINMYTOQOAO-OAHLLOKOSA-N 1 0 302.443 4.584 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(C#N)cc1 ZINC000278255859 130675301 /nfs/dbraw/zinc/67/53/01/130675301.db2.gz MZXPFPRIMGNNGF-ROUUACIJSA-N 1 0 308.450 4.836 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1[O-] ZINC000287863309 131303364 /nfs/dbraw/zinc/30/33/64/131303364.db2.gz XMZZPNAUVOYACU-SJCJKPOMSA-N 1 0 314.816 4.719 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000537980030 332832776 /nfs/dbraw/zinc/83/27/76/332832776.db2.gz GLXHRWAUQSHOQD-FAEJEUNOSA-N 1 0 324.424 4.501 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000035252940 331490754 /nfs/dbraw/zinc/49/07/54/331490754.db2.gz APDLZVJZNWVQDD-CQSZACIVSA-N 1 0 301.455 4.781 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973411 331678673 /nfs/dbraw/zinc/67/86/73/331678673.db2.gz BYUZEEHXYUNOMJ-STQMWFEESA-N 1 0 318.342 4.989 20 30 DJEDRO COc1cc(C[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)ccc1C#N ZINC000564434495 331788311 /nfs/dbraw/zinc/78/83/11/331788311.db2.gz YBCDFEGSQXJQET-PMACEKPBSA-N 1 0 320.436 4.541 20 30 DJEDRO CC1(C#N)CCC([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000449300356 332015223 /nfs/dbraw/zinc/01/52/23/332015223.db2.gz OJNKXGVIGBPSJC-UHFFFAOYSA-N 1 0 320.839 4.729 20 30 DJEDRO N#CCC[C@H](C#N)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000569352496 332023039 /nfs/dbraw/zinc/02/30/39/332023039.db2.gz QTRHNNHAFRIGJQ-KDOFPFPSSA-N 1 0 315.848 4.604 20 30 DJEDRO COc1cc(C[N@H+](C)CCCCC(C)(C)C#N)ccc1SC ZINC000409447316 332031614 /nfs/dbraw/zinc/03/16/14/332031614.db2.gz AEXWQRXVPWUIMW-UHFFFAOYSA-N 1 0 320.502 4.569 20 30 DJEDRO COc1cccc([C@@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)c1 ZINC000409447357 332031973 /nfs/dbraw/zinc/03/19/73/332031973.db2.gz SODUAMPJRAPRTE-SFHVURJKSA-N 1 0 300.446 4.552 20 30 DJEDRO CC(C)(C#N)CCCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000409447332 332032024 /nfs/dbraw/zinc/03/20/24/332032024.db2.gz KKFUCEUITQRFIY-UHFFFAOYSA-N 1 0 306.494 4.520 20 30 DJEDRO CCC1CCC([N@H+](CCCC2(C#N)CCOCC2)C2CC2)CC1 ZINC000410322306 332111025 /nfs/dbraw/zinc/11/10/25/332111025.db2.gz UCEJTFICDFNTSN-UHFFFAOYSA-N 1 0 318.505 4.520 20 30 DJEDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccccc21 ZINC000569514275 332118180 /nfs/dbraw/zinc/11/81/80/332118180.db2.gz WMFCDNUXWDEZFQ-PMACEKPBSA-N 1 0 302.421 4.558 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000448021138 332181900 /nfs/dbraw/zinc/18/19/00/332181900.db2.gz GXPBZSLIEGAHGG-AABGKKOBSA-N 1 0 323.484 4.743 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000448021141 332181931 /nfs/dbraw/zinc/18/19/31/332181931.db2.gz GXPBZSLIEGAHGG-ZCNNSNEGSA-N 1 0 323.484 4.743 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000448021139 332181997 /nfs/dbraw/zinc/18/19/97/332181997.db2.gz GXPBZSLIEGAHGG-AQNXPRMDSA-N 1 0 323.484 4.743 20 30 DJEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000531101477 332261947 /nfs/dbraw/zinc/26/19/47/332261947.db2.gz DFJMRLANBVGTBT-UHFFFAOYSA-N 1 0 322.880 4.574 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1cccc(C#N)c1 ZINC000559954545 332296803 /nfs/dbraw/zinc/29/68/03/332296803.db2.gz FTTCCLUQHIEZBO-MRXNPFEDSA-N 1 0 320.436 4.730 20 30 DJEDRO CCn1c2ccccc2c2cc(C[NH2+]CCCCC#N)ccc21 ZINC000237227988 332327385 /nfs/dbraw/zinc/32/73/85/332327385.db2.gz QHEJRWDUWJTFGH-UHFFFAOYSA-N 1 0 305.425 4.598 20 30 DJEDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237333841 332343270 /nfs/dbraw/zinc/34/32/70/332343270.db2.gz JDDGWIQDQYYOEZ-QGZVFWFLSA-N 1 0 308.425 4.528 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccco1 ZINC000560530587 332352497 /nfs/dbraw/zinc/35/24/97/332352497.db2.gz RYMBCCMDMOXPBV-CQSZACIVSA-N 1 0 318.486 4.873 20 30 DJEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCCCC#N ZINC000118953944 332358607 /nfs/dbraw/zinc/35/86/07/332358607.db2.gz RXXCAMXKTAABJA-CQSZACIVSA-N 1 0 313.470 4.771 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2ccccc2c1 ZINC000561138621 332416134 /nfs/dbraw/zinc/41/61/34/332416134.db2.gz SKMZHBWHPWIZCL-JOCHJYFZSA-N 1 0 312.416 4.879 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000442781033 335110118 /nfs/dbraw/zinc/11/01/18/335110118.db2.gz NRSLHUHGZQJVLG-YPMHNXCESA-N 1 0 311.256 4.553 20 30 DJEDRO C[C@@H](C[NH2+]CC1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000561957320 332522463 /nfs/dbraw/zinc/52/24/63/332522463.db2.gz PZNNHWJDJXMXFI-NFOMZHRRSA-N 1 0 324.390 4.728 20 30 DJEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000562371992 332585436 /nfs/dbraw/zinc/58/54/36/332585436.db2.gz SRFQJDIVPRLKKW-OAQYLSRUSA-N 1 0 321.468 4.639 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000570310004 332737966 /nfs/dbraw/zinc/73/79/66/332737966.db2.gz FRYSMPCPFJQBGT-UHFFFAOYSA-N 1 0 316.445 4.974 20 30 DJEDRO Cc1ccccc1C[N@H+](CCCC(C)(C)C#N)Cc1ccccn1 ZINC000580316946 333109600 /nfs/dbraw/zinc/10/96/00/333109600.db2.gz HMWGATPODSOETM-UHFFFAOYSA-N 1 0 321.468 4.722 20 30 DJEDRO C[C@H](c1ccccc1)[N@H+](CCCCC#N)Cc1ccccc1O ZINC000176680864 333117823 /nfs/dbraw/zinc/11/78/23/333117823.db2.gz WVUHRFKUUFXPNQ-QGZVFWFLSA-N 1 0 308.425 4.649 20 30 DJEDRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCCC#N ZINC000178641876 333141693 /nfs/dbraw/zinc/14/16/93/333141693.db2.gz OHGBVTVTSXLAIU-LBPRGKRZSA-N 1 0 317.433 4.602 20 30 DJEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000179715149 333154680 /nfs/dbraw/zinc/15/46/80/333154680.db2.gz DIXTZLGVFBVEPR-AWEZNQCLSA-N 1 0 310.388 4.659 20 30 DJEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000179715157 333154808 /nfs/dbraw/zinc/15/48/08/333154808.db2.gz DIXTZLGVFBVEPR-CQSZACIVSA-N 1 0 310.388 4.659 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(Cl)s1 ZINC000180551667 333163174 /nfs/dbraw/zinc/16/31/74/333163174.db2.gz AOLGIVFKQZDBDO-CQSZACIVSA-N 1 0 320.845 4.545 20 30 DJEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181573866 333170407 /nfs/dbraw/zinc/17/04/07/333170407.db2.gz STQHBVJJDNIEGE-CQSZACIVSA-N 1 0 318.436 4.595 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)cc1F ZINC000181589346 333170425 /nfs/dbraw/zinc/17/04/25/333170425.db2.gz XRUYYBLGYSTXMW-ZDUSSCGKSA-N 1 0 314.379 4.617 20 30 DJEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685307 333171490 /nfs/dbraw/zinc/17/14/90/333171490.db2.gz BCOKTFZEWKCIFF-IIBYNOLFSA-N 1 0 320.436 4.781 20 30 DJEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000185923465 333215904 /nfs/dbraw/zinc/21/59/04/333215904.db2.gz MEUWBNMQTDIVDJ-JTQLQIEISA-N 1 0 319.396 4.533 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O ZINC000186150536 333217497 /nfs/dbraw/zinc/21/74/97/333217497.db2.gz DYZPIVZBYQJUSW-SUMWQHHRSA-N 1 0 314.816 4.741 20 30 DJEDRO C=CCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000390122528 333230433 /nfs/dbraw/zinc/23/04/33/333230433.db2.gz GKFGAOMGCAEPST-CYBMUJFWSA-N 1 0 300.265 4.518 20 30 DJEDRO Cc1c([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cnn1C(C)(C)C ZINC000191388486 333279770 /nfs/dbraw/zinc/27/97/70/333279770.db2.gz HNCIEXNRYGYMEN-KXBFYZLASA-N 1 0 324.472 4.642 20 30 DJEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000216166375 333367117 /nfs/dbraw/zinc/36/71/17/333367117.db2.gz JSZMOPXHVVBTOG-QGZVFWFLSA-N 1 0 322.452 4.579 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000319738128 333401535 /nfs/dbraw/zinc/40/15/35/333401535.db2.gz HRJMPPWQVAQFNQ-LJQANCHMSA-N 1 0 311.425 4.501 20 30 DJEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000319880991 333414904 /nfs/dbraw/zinc/41/49/04/333414904.db2.gz UQONBWMYGQXBOR-HOTGVXAUSA-N 1 0 308.425 4.759 20 30 DJEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000320015060 333421176 /nfs/dbraw/zinc/42/11/76/333421176.db2.gz FJZGSMLFBYUAIU-HZPDHXFCSA-N 1 0 308.425 4.757 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 ZINC000320008846 333421216 /nfs/dbraw/zinc/42/12/16/333421216.db2.gz DWUJDTZCOCKPHT-HZPDHXFCSA-N 1 0 304.437 4.849 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000160737092 333483468 /nfs/dbraw/zinc/48/34/68/333483468.db2.gz ZBRAIPYDMKYOHP-XIKOKIGWSA-N 1 0 300.352 4.638 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338771495 333497525 /nfs/dbraw/zinc/49/75/25/333497525.db2.gz GJBCTSNYDVQOHF-LRGNLBRXSA-N 1 0 304.437 4.813 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000531791604 333559850 /nfs/dbraw/zinc/55/98/50/333559850.db2.gz QHPGNFBKSKUXCV-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414159708 333914852 /nfs/dbraw/zinc/91/48/52/333914852.db2.gz BSKLGGNOFGUCJX-INIZCTEOSA-N 1 0 322.452 4.953 20 30 DJEDRO C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F ZINC000414269221 333930881 /nfs/dbraw/zinc/93/08/81/333930881.db2.gz ORTBSWZRSKLISJ-LRDDRELGSA-N 1 0 310.363 4.504 20 30 DJEDRO C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F ZINC000414269223 333930895 /nfs/dbraw/zinc/93/08/95/333930895.db2.gz ORTBSWZRSKLISJ-MLGOLLRUSA-N 1 0 310.363 4.504 20 30 DJEDRO CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC000271085870 334018136 /nfs/dbraw/zinc/01/81/36/334018136.db2.gz TYAOFNOKLMBHPH-NYLDSWQDSA-N 1 0 319.452 4.526 20 30 DJEDRO CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccncc1 ZINC000271085867 334018158 /nfs/dbraw/zinc/01/81/58/334018158.db2.gz TYAOFNOKLMBHPH-KBWCOIMZSA-N 1 0 319.452 4.526 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000277879417 334091453 /nfs/dbraw/zinc/09/14/53/334091453.db2.gz ZDSTYMWRBORQLI-OAHLLOKOSA-N 1 0 318.486 4.505 20 30 DJEDRO CC(C)(C#N)CCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000278229260 334093704 /nfs/dbraw/zinc/09/37/04/334093704.db2.gz VCGZWJIYQWHMKI-UHFFFAOYSA-N 1 0 300.402 4.595 20 30 DJEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000278391922 334095931 /nfs/dbraw/zinc/09/59/31/334095931.db2.gz DWGPKCGWMQJVCX-VQTJNVASSA-N 1 0 303.409 4.644 20 30 DJEDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755681 334100974 /nfs/dbraw/zinc/10/09/74/334100974.db2.gz OCLZURYOMHWDCH-SFTDATJTSA-N 1 0 320.436 4.563 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000278940745 334104023 /nfs/dbraw/zinc/10/40/23/334104023.db2.gz YBBKWRPGAKTCKV-OAHLLOKOSA-N 1 0 311.429 4.712 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000279005267 334104683 /nfs/dbraw/zinc/10/46/83/334104683.db2.gz UIBJRMGPYRZNFF-SNVBAGLBSA-N 1 0 319.396 4.533 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2ccccc2c1O ZINC000282355167 334133775 /nfs/dbraw/zinc/13/37/75/334133775.db2.gz PMGBAICBIBSBFZ-QQFBHYJXSA-N 1 0 308.425 4.526 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000284325588 334143121 /nfs/dbraw/zinc/14/31/21/334143121.db2.gz MAZUTWWSBFDRCW-CVEARBPZSA-N 1 0 310.363 4.625 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160120 334156465 /nfs/dbraw/zinc/15/64/65/334156465.db2.gz BRUJTVYSBZTNON-XYJFISCASA-N 1 0 321.424 4.607 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1coc2ccccc12 ZINC000340423516 334197674 /nfs/dbraw/zinc/19/76/74/334197674.db2.gz DUCDZGQFVYCPBT-FQEVSTJZSA-N 1 0 316.404 4.862 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436710 334200870 /nfs/dbraw/zinc/20/08/70/334200870.db2.gz SWSODRSTDPFJOR-VQTJNVASSA-N 1 0 308.400 4.838 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438779 334202188 /nfs/dbraw/zinc/20/21/88/334202188.db2.gz ALNZRQKOEWPIHM-WOJBJXKFSA-N 1 0 308.400 4.838 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444201 334203001 /nfs/dbraw/zinc/20/30/01/334203001.db2.gz GYCHNAAPBKVEMI-BEFAXECRSA-N 1 0 323.396 4.681 20 30 DJEDRO COc1ccccc1C[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340445571 334203293 /nfs/dbraw/zinc/20/32/93/334203293.db2.gz FILPLAALLTVNCG-YLJYHZDGSA-N 1 0 322.452 4.651 20 30 DJEDRO CCc1cccnc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340455063 334207277 /nfs/dbraw/zinc/20/72/77/334207277.db2.gz UREKOVUCRZNSPC-VQIMIIECSA-N 1 0 307.441 4.730 20 30 DJEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)oc21 ZINC000296495736 334234567 /nfs/dbraw/zinc/23/45/67/334234567.db2.gz OVECCCRIZDXJMS-DZKIICNBSA-N 1 0 312.413 4.564 20 30 DJEDRO COc1ccc2cc([C@@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)ccc2c1 ZINC000296624210 334235565 /nfs/dbraw/zinc/23/55/65/334235565.db2.gz XALJLGVEBFKSIH-VCBZYWHSSA-N 1 0 308.425 4.581 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000048367593 334279427 /nfs/dbraw/zinc/27/94/27/334279427.db2.gz OKGRTMVMEUQWAP-NRFANRHFSA-N 1 0 316.379 4.577 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc2cccnc21)c1ccc(C#N)cc1 ZINC000531912845 334290806 /nfs/dbraw/zinc/29/08/06/334290806.db2.gz ZOIQQQXCPCSTMY-CYBMUJFWSA-N 1 0 321.811 4.611 20 30 DJEDRO CC[N@H+](Cc1ccnc2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000535081504 334365906 /nfs/dbraw/zinc/36/59/06/334365906.db2.gz ZZKWUODTLGNSNX-INIZCTEOSA-N 1 0 315.420 4.690 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341711653 334472799 /nfs/dbraw/zinc/47/27/99/334472799.db2.gz PHITWCBBZREDEA-PMACEKPBSA-N 1 0 308.400 4.816 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 ZINC000341759118 334477665 /nfs/dbraw/zinc/47/76/65/334477665.db2.gz DMTCTBIONMIAKK-SFTDATJTSA-N 1 0 304.437 4.985 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(C2CC2)cc1 ZINC000417354527 334707021 /nfs/dbraw/zinc/70/70/21/334707021.db2.gz MBRFOPFPIULSJG-SPLOXXLWSA-N 1 0 302.421 4.774 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000112525281 334717332 /nfs/dbraw/zinc/71/73/32/334717332.db2.gz JZUFOZFPCCPXFY-CHWSQXEVSA-N 1 0 314.816 4.632 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000532075103 334720191 /nfs/dbraw/zinc/72/01/91/334720191.db2.gz UBMUIWPFOGUTBM-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000417368981 334764393 /nfs/dbraw/zinc/76/43/93/334764393.db2.gz QUVTZWCEDATCFL-NHCUHLMSSA-N 1 0 320.436 4.685 20 30 DJEDRO Cc1ccc2cc(C[NH2+][C@H](CCC#N)c3ccccc3)ccc2n1 ZINC000189403673 334896076 /nfs/dbraw/zinc/89/60/76/334896076.db2.gz GTUQNPVCKQBGLE-HXUWFJFHSA-N 1 0 315.420 4.678 20 30 DJEDRO N#Cc1ccc(F)c(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000344293169 335237171 /nfs/dbraw/zinc/23/71/71/335237171.db2.gz HKDSXAUSAQVLGL-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(C(F)(F)F)cc1 ZINC000345014744 335291374 /nfs/dbraw/zinc/29/13/74/335291374.db2.gz GRCPVTJIXHEZSV-MRXNPFEDSA-N 1 0 323.362 4.534 20 30 DJEDRO COc1cccc(C2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444619444 338476947 /nfs/dbraw/zinc/47/69/47/338476947.db2.gz JUTUAXUKWXWOPC-UHFFFAOYSA-N 1 0 314.473 4.595 20 30 DJEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCCC(C)(C)C#N ZINC000444680518 338481855 /nfs/dbraw/zinc/48/18/55/338481855.db2.gz PNAMIEGICWDDNE-SFHVURJKSA-N 1 0 304.453 4.702 20 30 DJEDRO COc1ccc([C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)C)cc1 ZINC000444690206 338482976 /nfs/dbraw/zinc/48/29/76/338482976.db2.gz RLDFZIDGXCTBRM-SFHVURJKSA-N 1 0 302.462 4.702 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000348209836 335561545 /nfs/dbraw/zinc/56/15/45/335561545.db2.gz APKDQANHQURNQX-CQSZACIVSA-N 1 0 308.878 4.796 20 30 DJEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Br)c1 ZINC000348225592 335563306 /nfs/dbraw/zinc/56/33/06/335563306.db2.gz KHBNQWRJDRVUBK-HNNXBMFYSA-N 1 0 323.278 4.820 20 30 DJEDRO N#Cc1csc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000093492218 335652843 /nfs/dbraw/zinc/65/28/43/335652843.db2.gz WENKHKSVIHZIKN-AWEZNQCLSA-N 1 0 320.870 4.600 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cc2ccccc2o1 ZINC000191633160 335783683 /nfs/dbraw/zinc/78/36/83/335783683.db2.gz OODVAAYGODQLJX-GJZGRUSLSA-N 1 0 320.392 4.747 20 30 DJEDRO C=C(C)[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc(F)c(F)c1 ZINC000519817335 335897928 /nfs/dbraw/zinc/89/79/28/335897928.db2.gz QULWLGTUXDAAOI-OBONGRFPSA-N 1 0 321.411 4.663 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000351061904 336009793 /nfs/dbraw/zinc/00/97/93/336009793.db2.gz HVVBKCQFKWBCEJ-HXUWFJFHSA-N 1 0 320.436 4.588 20 30 DJEDRO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)c1cccc(C#N)c1 ZINC000192930645 336284642 /nfs/dbraw/zinc/28/46/42/336284642.db2.gz XIHOMSGJBCJDJH-QGZVFWFLSA-N 1 0 312.416 4.998 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000192936019 336285263 /nfs/dbraw/zinc/28/52/63/336285263.db2.gz RBCLSWACFCNCQS-KBPBESRZSA-N 1 0 314.816 4.654 20 30 DJEDRO COc1ccccc1/C=C/C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353912774 336447447 /nfs/dbraw/zinc/44/74/47/336447447.db2.gz GJLZOUYFCBSPKV-SQSZOCELSA-N 1 0 320.436 4.733 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccccc1 ZINC000353913218 336447638 /nfs/dbraw/zinc/44/76/38/336447638.db2.gz HUYVBBKNEPJLNZ-FQEVSTJZSA-N 1 0 315.420 4.760 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000353916935 336448097 /nfs/dbraw/zinc/44/80/97/336448097.db2.gz RZUOBAYEFATMQJ-HKBOAZHASA-N 1 0 304.437 4.815 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026070 336654017 /nfs/dbraw/zinc/65/40/17/336654017.db2.gz DSPMLDZLFVJQRA-UXHICEINSA-N 1 0 308.400 4.816 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(Cl)ccc1F ZINC000418148030 336898110 /nfs/dbraw/zinc/89/81/10/336898110.db2.gz SHKPSFSIQGFKFS-SFHVURJKSA-N 1 0 314.791 4.518 20 30 DJEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 ZINC000180890891 337178401 /nfs/dbraw/zinc/17/84/01/337178401.db2.gz GIONIASIMKCOMF-MRXNPFEDSA-N 1 0 307.441 4.729 20 30 DJEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000583276712 337300784 /nfs/dbraw/zinc/30/07/84/337300784.db2.gz OBCIKSFHFOFYAJ-NXHRZFHOSA-N 1 0 304.865 4.579 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000572105345 337591004 /nfs/dbraw/zinc/59/10/04/337591004.db2.gz QLMMEGGREPEOFK-INIZCTEOSA-N 1 0 316.489 4.719 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc(Cl)ccc1OC ZINC000421886399 337655183 /nfs/dbraw/zinc/65/51/83/337655183.db2.gz RVTFQEKUZAYANU-HNNXBMFYSA-N 1 0 320.845 4.523 20 30 DJEDRO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000527720537 337758928 /nfs/dbraw/zinc/75/89/28/337758928.db2.gz MYJLOILFDRDPGK-INIZCTEOSA-N 1 0 306.400 4.597 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000424332548 337822401 /nfs/dbraw/zinc/82/24/01/337822401.db2.gz SZEQHXZEXGEODL-MAZHCROVSA-N 1 0 310.363 4.684 20 30 DJEDRO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)c1ccc(C#N)cc1 ZINC000118397747 337850447 /nfs/dbraw/zinc/85/04/47/337850447.db2.gz YKCHZUSMOKYMPT-VLIAUNLRSA-N 1 0 308.400 4.889 20 30 DJEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCCC#N)cc2)c1 ZINC000537099298 337890326 /nfs/dbraw/zinc/89/03/26/337890326.db2.gz RFISOBARXBJSTL-QGZVFWFLSA-N 1 0 308.425 4.528 20 30 DJEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)cc2)cc1 ZINC000061079297 337925323 /nfs/dbraw/zinc/92/53/23/337925323.db2.gz QYBVRPKHJLHQCZ-UHFFFAOYSA-N 1 0 314.388 4.640 20 30 DJEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C ZINC000537295794 337929070 /nfs/dbraw/zinc/92/90/70/337929070.db2.gz PJBVUMFRAPASMX-INIZCTEOSA-N 1 0 317.436 4.816 20 30 DJEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406667 337933685 /nfs/dbraw/zinc/93/36/85/337933685.db2.gz JPPYPGVXGILCRP-VBKZILBWSA-N 1 0 308.400 4.889 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000426348818 338028386 /nfs/dbraw/zinc/02/83/86/338028386.db2.gz SEGHRHMOURMDER-JLTOFOAXSA-N 1 0 308.400 4.734 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000428890863 338064584 /nfs/dbraw/zinc/06/45/84/338064584.db2.gz VTYXGABSEDERFN-CQSZACIVSA-N 1 0 324.371 4.902 20 30 DJEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000429675272 338087046 /nfs/dbraw/zinc/08/70/46/338087046.db2.gz XBQXSKNJGMZGFP-QZTJIDSGSA-N 1 0 316.514 4.642 20 30 DJEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000429675273 338087182 /nfs/dbraw/zinc/08/71/82/338087182.db2.gz XBQXSKNJGMZGFP-ROUUACIJSA-N 1 0 316.514 4.642 20 30 DJEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000430197897 338100927 /nfs/dbraw/zinc/10/09/27/338100927.db2.gz WUTCKEBTWQGRSC-INIZCTEOSA-N 1 0 322.905 4.836 20 30 DJEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430733227 338112642 /nfs/dbraw/zinc/11/26/42/338112642.db2.gz DWOMORSSIDAJQG-HNNXBMFYSA-N 1 0 310.363 4.686 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430736442 338112740 /nfs/dbraw/zinc/11/27/40/338112740.db2.gz DNCKLMYQYWJEHV-HOTGVXAUSA-N 1 0 322.374 4.625 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1(CC#N)CC1 ZINC000430747549 338113409 /nfs/dbraw/zinc/11/34/09/338113409.db2.gz XVQFTBAMXRWNRJ-CQSZACIVSA-N 1 0 311.256 4.598 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000430761151 338114103 /nfs/dbraw/zinc/11/41/03/338114103.db2.gz KZRDYFIDKIVSSY-SNVBAGLBSA-N 1 0 315.269 4.716 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432010192 338143658 /nfs/dbraw/zinc/14/36/58/338143658.db2.gz ALNHAKCSXRNEJP-KRWDZBQOSA-N 1 0 306.400 4.822 20 30 DJEDRO Cc1ccccc1CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433010547 338176182 /nfs/dbraw/zinc/17/61/82/338176182.db2.gz CJMWHLXSKGEZAI-OAQYLSRUSA-N 1 0 306.453 4.952 20 30 DJEDRO CC(C)Oc1ccccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433020108 338176564 /nfs/dbraw/zinc/17/65/64/338176564.db2.gz BJXKSIFIPCIYIN-HXUWFJFHSA-N 1 0 322.452 4.999 20 30 DJEDRO N#CCCC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000433020854 338176804 /nfs/dbraw/zinc/17/68/04/338176804.db2.gz UVPGWXHOPCVEQB-FQEVSTJZSA-N 1 0 322.839 4.716 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000433025722 338177096 /nfs/dbraw/zinc/17/70/96/338177096.db2.gz AXDMMZSVRAEPKV-DOTOQJQBSA-N 1 0 306.400 4.837 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000433028494 338177182 /nfs/dbraw/zinc/17/71/82/338177182.db2.gz OSYOBAAEBSMCAS-IBGZPJMESA-N 1 0 323.827 4.736 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313871 338191557 /nfs/dbraw/zinc/19/15/57/338191557.db2.gz SHBNIQWYBPWUMB-MRXNPFEDSA-N 1 0 304.865 4.849 20 30 DJEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434497604 338218410 /nfs/dbraw/zinc/21/84/10/338218410.db2.gz OHSAUWGQIKKDTL-MRXNPFEDSA-N 1 0 308.400 4.580 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000435664741 338244588 /nfs/dbraw/zinc/24/45/88/338244588.db2.gz NQWFEYZRYISYAX-OZVIIMIRSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000436294697 338266934 /nfs/dbraw/zinc/26/69/34/338266934.db2.gz GKITXNGYXNHKSG-YRNRMSPPSA-N 1 0 313.441 4.681 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000436305898 338267989 /nfs/dbraw/zinc/26/79/89/338267989.db2.gz IGFQJKDLDOMRBB-IEZWGBDMSA-N 1 0 319.514 4.819 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000436308075 338268334 /nfs/dbraw/zinc/26/83/34/338268334.db2.gz SNBDRJHOSVQEBA-CSFVBSKPSA-N 1 0 322.374 4.623 20 30 DJEDRO CC(C)[N@H+](Cc1cc2c(cccc2F)[nH]1)Cc1ccc(C#N)cc1 ZINC000437574501 338313978 /nfs/dbraw/zinc/31/39/78/338313978.db2.gz COYZMMXFFUUICS-UHFFFAOYSA-N 1 0 321.399 4.589 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777742 338430595 /nfs/dbraw/zinc/43/05/95/338430595.db2.gz AAZFYUTWJSHOTL-ZMYBRWDISA-N 1 0 310.828 4.711 20 30 DJEDRO Cc1ccc(Oc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442780221 338430703 /nfs/dbraw/zinc/43/07/03/338430703.db2.gz MNGCSSIGVGMBOI-SJLPKXTDSA-N 1 0 306.409 4.569 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000442820164 338433491 /nfs/dbraw/zinc/43/34/91/338433491.db2.gz ARPJBILHSFSAIH-XKQJLSEDSA-N 1 0 322.374 4.995 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)C1 ZINC000442836297 338434039 /nfs/dbraw/zinc/43/40/39/338434039.db2.gz ZRFRRKGXLGFFME-FSPWUOQZSA-N 1 0 302.849 4.853 20 30 DJEDRO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(F)ccc1F ZINC000442848424 338434460 /nfs/dbraw/zinc/43/44/60/338434460.db2.gz ASORRQCSQHYSDF-JRSKDTKFSA-N 1 0 306.400 4.581 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000442848684 338434463 /nfs/dbraw/zinc/43/44/63/338434463.db2.gz AWRXNSLZIBNFEL-PNESKVBLSA-N 1 0 311.256 4.974 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3F)CCCC2)C1 ZINC000442860062 338435510 /nfs/dbraw/zinc/43/55/10/338435510.db2.gz RNEOMSTZOPMDAS-UONOGXRCSA-N 1 0 320.839 4.573 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H](c2cccs2)C2CCCC2)CC1 ZINC000442863355 338435840 /nfs/dbraw/zinc/43/58/40/338435840.db2.gz CMMSUSGUOGWKKY-JTTJXQCZSA-N 1 0 302.487 4.899 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000442876504 338437404 /nfs/dbraw/zinc/43/74/04/338437404.db2.gz RJHYLNCADGFEHS-WXLSXGNJSA-N 1 0 304.865 4.752 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCC(c3ccc(F)cc3)CC2)C1 ZINC000446758135 338535234 /nfs/dbraw/zinc/53/52/34/338535234.db2.gz GDSGPJFXGIVWEC-XOQVMUHJSA-N 1 0 300.421 4.524 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCC(c3ccc(F)cc3)CC2)C1 ZINC000446758134 338535295 /nfs/dbraw/zinc/53/52/95/338535295.db2.gz GDSGPJFXGIVWEC-WLHONDITSA-N 1 0 300.421 4.524 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)CC1 ZINC000447531208 338554594 /nfs/dbraw/zinc/55/45/94/338554594.db2.gz QGEKMJMWHRLJLL-RTWAWAEBSA-N 1 0 312.501 4.501 20 30 DJEDRO CCCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447534100 338554933 /nfs/dbraw/zinc/55/49/33/338554933.db2.gz ZWRIQXAWKUEPGS-FQEVSTJZSA-N 1 0 308.425 4.588 20 30 DJEDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539874 338555423 /nfs/dbraw/zinc/55/54/23/338555423.db2.gz HZNDKEWQDAROOZ-LEWJYISDSA-N 1 0 320.436 4.759 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000447592959 338560586 /nfs/dbraw/zinc/56/05/86/338560586.db2.gz OYZNZWIZUVVYCK-OALUTQOASA-N 1 0 324.399 4.652 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000160652956 338560671 /nfs/dbraw/zinc/56/06/71/338560671.db2.gz GAAUVLFDVGAAJN-KRWDZBQOSA-N 1 0 302.780 4.592 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000449067489 338590019 /nfs/dbraw/zinc/59/00/19/338590019.db2.gz LTVDPBASJPQIMI-GULBITTBSA-N 1 0 320.889 4.939 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000449227445 338604448 /nfs/dbraw/zinc/60/44/48/338604448.db2.gz PJDFMUCCVIFSTH-XEVCZEQESA-N 1 0 312.432 4.824 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000449297640 338610606 /nfs/dbraw/zinc/61/06/06/338610606.db2.gz GZLHOOCFPSTAKA-IZIZEDOESA-N 1 0 300.421 4.524 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000162543180 338630182 /nfs/dbraw/zinc/63/01/82/338630182.db2.gz BHTPZZODFYSNMX-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2sccc21 ZINC000453171357 338802320 /nfs/dbraw/zinc/80/23/20/338802320.db2.gz IWBNFNXRGORBLU-DYVFJYSZSA-N 1 0 308.450 4.837 20 30 DJEDRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCCO2 ZINC000453285645 338818697 /nfs/dbraw/zinc/81/86/97/338818697.db2.gz CGYIVPQXHUPDHI-GRDNDAEWSA-N 1 0 318.848 4.534 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000195614523 338910245 /nfs/dbraw/zinc/91/02/45/338910245.db2.gz PCKCOAIRWLITCQ-KSSFIOAISA-N 1 0 308.425 4.824 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000195614525 338910254 /nfs/dbraw/zinc/91/02/54/338910254.db2.gz PCKCOAIRWLITCQ-KBXCAEBGSA-N 1 0 308.425 4.824 20 30 DJEDRO N#CCCC[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1 ZINC000459487850 339032164 /nfs/dbraw/zinc/03/21/64/339032164.db2.gz NCWZOPYVTQKGPY-KRWDZBQOSA-N 1 0 306.400 4.837 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2F)CC1 ZINC000461102680 339059441 /nfs/dbraw/zinc/05/94/41/339059441.db2.gz POLNYOWJXRXOOK-KRWDZBQOSA-N 1 0 324.871 4.560 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000461399507 339063163 /nfs/dbraw/zinc/06/31/63/339063163.db2.gz GDXQXZBITLYTLX-UHFFFAOYSA-N 1 0 314.379 4.908 20 30 DJEDRO C=CCC[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462177244 339073284 /nfs/dbraw/zinc/07/32/84/339073284.db2.gz QCRXYUSNYRKCIT-SFHVURJKSA-N 1 0 319.420 4.942 20 30 DJEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000462904055 339096994 /nfs/dbraw/zinc/09/69/94/339096994.db2.gz GTXFEDWELNBYCE-QGZVFWFLSA-N 1 0 316.404 4.915 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463237458 339110964 /nfs/dbraw/zinc/11/09/64/339110964.db2.gz VTAWRVOSAHYFTL-HJNYFJLDSA-N 1 0 318.464 4.685 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccs3)CCCCC2)C1 ZINC000463238159 339111092 /nfs/dbraw/zinc/11/10/92/339111092.db2.gz ZHAGWZITZCLURU-HZPDHXFCSA-N 1 0 302.487 4.622 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000463239555 339111247 /nfs/dbraw/zinc/11/12/47/339111247.db2.gz ZWBVTGRHFXBSOH-DOMZBBRYSA-N 1 0 311.256 4.598 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1cccc(Cl)c1 ZINC000463244308 339111548 /nfs/dbraw/zinc/11/15/48/339111548.db2.gz GTYHQBPCNAERSH-DOTOQJQBSA-N 1 0 304.865 4.581 20 30 DJEDRO CC([NH2+][C@H]1CCC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245443 339111680 /nfs/dbraw/zinc/11/16/80/339111680.db2.gz CHBVPGVTTYQQLH-XLIONFOSSA-N 1 0 304.437 4.622 20 30 DJEDRO CCCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(OC)cc1 ZINC000463280638 339113154 /nfs/dbraw/zinc/11/31/54/339113154.db2.gz FEXQGEMZOZUAEP-IEZWGBDMSA-N 1 0 300.446 4.598 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000463290923 339113615 /nfs/dbraw/zinc/11/36/15/339113615.db2.gz LUGVTNMZBMNGAQ-VQIMIIECSA-N 1 0 324.493 4.745 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000463290527 339113631 /nfs/dbraw/zinc/11/36/31/339113631.db2.gz KGGVUOJSPNEKDU-DLBZAZTESA-N 1 0 314.498 4.763 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000463290922 339113736 /nfs/dbraw/zinc/11/37/36/339113736.db2.gz LUGVTNMZBMNGAQ-QFBILLFUSA-N 1 0 324.493 4.745 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463295945 339113911 /nfs/dbraw/zinc/11/39/11/339113911.db2.gz QOUDDLUGVCGKIY-GIVPXCGWSA-N 1 0 304.437 4.642 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000463298073 339113992 /nfs/dbraw/zinc/11/39/92/339113992.db2.gz UJIAGSUCRZEFDF-GARJFASQSA-N 1 0 315.219 4.865 20 30 DJEDRO C=C(C)C[C@@H](C)C(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000466661843 339212284 /nfs/dbraw/zinc/21/22/84/339212284.db2.gz SIQFVPJQRCJVFQ-MRXNPFEDSA-N 1 0 322.537 4.527 20 30 DJEDRO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCCSCC#N ZINC000466730408 339214519 /nfs/dbraw/zinc/21/45/19/339214519.db2.gz FCXZALUQHIYEBQ-MRXNPFEDSA-N 1 0 310.894 4.616 20 30 DJEDRO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCCSCC#N ZINC000466730407 339214656 /nfs/dbraw/zinc/21/46/56/339214656.db2.gz FCXZALUQHIYEBQ-INIZCTEOSA-N 1 0 310.894 4.616 20 30 DJEDRO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCSCC#N ZINC000466744134 339215392 /nfs/dbraw/zinc/21/53/92/339215392.db2.gz CIDQFMMYLGMADA-QGZVFWFLSA-N 1 0 324.493 4.993 20 30 DJEDRO N#CCSCCC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000467193034 339227775 /nfs/dbraw/zinc/22/77/75/339227775.db2.gz XPYZCOZRERARTF-UHFFFAOYSA-N 1 0 322.905 4.736 20 30 DJEDRO C=C(C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1)c1ccccc1 ZINC000467338470 339232367 /nfs/dbraw/zinc/23/23/67/339232367.db2.gz ZSBNOHHAFWOMKV-PMACEKPBSA-N 1 0 306.453 4.719 20 30 DJEDRO Cc1oc2ccccc2c1CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000468029709 339251724 /nfs/dbraw/zinc/25/17/24/339251724.db2.gz ZDHUTUWDENBLDP-AWEZNQCLSA-N 1 0 304.393 4.506 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476284 339263737 /nfs/dbraw/zinc/26/37/37/339263737.db2.gz SBTLPHXCZLXPSG-XJKCOSOUSA-N 1 0 311.256 4.911 20 30 DJEDRO N#CCCCC[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469518981 339292322 /nfs/dbraw/zinc/29/23/22/339292322.db2.gz MEUVWEZKLWMHRH-MRXNPFEDSA-N 1 0 310.363 4.926 20 30 DJEDRO CSc1ccccc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000470993477 339334078 /nfs/dbraw/zinc/33/40/78/339334078.db2.gz CFSHHGDQMBXBSV-UHFFFAOYSA-N 1 0 324.493 4.842 20 30 DJEDRO Cc1cccc(C([NH2+][C@@H]2CC[C@@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597781 339348811 /nfs/dbraw/zinc/34/88/11/339348811.db2.gz HGYUOQLEMSHBFC-YLJYHZDGSA-N 1 0 304.437 4.675 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000471599588 339348953 /nfs/dbraw/zinc/34/89/53/339348953.db2.gz ULUJTWZEYSNJHQ-NRSPTQNISA-N 1 0 304.437 4.642 20 30 DJEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471599456 339348992 /nfs/dbraw/zinc/34/89/92/339348992.db2.gz SJDVKEZYCUEKHL-KMFMINBZSA-N 1 0 320.864 4.718 20 30 DJEDRO C=CCCCC[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000471599971 339349001 /nfs/dbraw/zinc/34/90/01/339349001.db2.gz XXGFQBBTWBCLIP-MRXNPFEDSA-N 1 0 317.477 4.567 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471611825 339349468 /nfs/dbraw/zinc/34/94/68/339349468.db2.gz RKHIBOGBCYEGGW-DFBGVHRSSA-N 1 0 311.256 4.596 20 30 DJEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619021 339349874 /nfs/dbraw/zinc/34/98/74/339349874.db2.gz MCBWLPQGMDTXEM-MAZHCROVSA-N 1 0 310.363 4.828 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000472034133 339359838 /nfs/dbraw/zinc/35/98/38/339359838.db2.gz CLSJLSNSBKHJAG-UHFFFAOYSA-N 1 0 320.436 4.639 20 30 DJEDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2c1C ZINC000472047537 339360747 /nfs/dbraw/zinc/36/07/47/339360747.db2.gz KTNWMADBODGTCG-HNNXBMFYSA-N 1 0 303.409 4.507 20 30 DJEDRO CC(C)(C#N)CCC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000472247514 339367543 /nfs/dbraw/zinc/36/75/43/339367543.db2.gz QPPSRQCQEYZUQN-UHFFFAOYSA-N 1 0 312.379 4.860 20 30 DJEDRO CCOc1ccc(C[N@H+](CCCC(C)(C)C#N)C(C)C)cc1 ZINC000472429939 339371743 /nfs/dbraw/zinc/37/17/43/339371743.db2.gz IZBZYZDLNLEXNW-UHFFFAOYSA-N 1 0 302.462 4.626 20 30 DJEDRO N#CCCC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476999691 339484258 /nfs/dbraw/zinc/48/42/58/339484258.db2.gz WOCFCCKNZRNBHT-UHFFFAOYSA-N 1 0 309.240 4.776 20 30 DJEDRO N#CCCC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000477631441 339498315 /nfs/dbraw/zinc/49/83/15/339498315.db2.gz MBPAPBAMSYQCTD-UHFFFAOYSA-N 1 0 321.262 4.502 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OCC)cc1)c1ccc(F)c(F)c1 ZINC000479411918 339533697 /nfs/dbraw/zinc/53/36/97/339533697.db2.gz RSVIKTFIRLTOFU-IBGZPJMESA-N 1 0 317.379 4.771 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000480878629 339589259 /nfs/dbraw/zinc/58/92/59/339589259.db2.gz MTIGWLGPDANHFL-IBGZPJMESA-N 1 0 310.828 4.761 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000481638844 339608139 /nfs/dbraw/zinc/60/81/39/339608139.db2.gz AWDYRYBOHXFRSH-MRXNPFEDSA-N 1 0 316.857 4.830 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000481719751 339611093 /nfs/dbraw/zinc/61/10/93/339611093.db2.gz CYMGQXOBXFYMGH-BMGDILEWSA-N 1 0 308.400 4.684 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1(c2ccccc2F)CC1 ZINC000481998144 339619153 /nfs/dbraw/zinc/61/91/53/339619153.db2.gz HWAUMSCKZKANBY-FQEVSTJZSA-N 1 0 320.411 4.744 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000482494443 339633366 /nfs/dbraw/zinc/63/33/66/339633366.db2.gz CRZXOUJIUJQBIQ-UHFFFAOYSA-N 1 0 304.865 4.849 20 30 DJEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccs1 ZINC000483710756 339672327 /nfs/dbraw/zinc/67/23/27/339672327.db2.gz NDFMOYLIKOONMY-INIZCTEOSA-N 1 0 302.418 4.636 20 30 DJEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000485010305 339697352 /nfs/dbraw/zinc/69/73/52/339697352.db2.gz VDJJEPRCMOGOLK-HNNXBMFYSA-N 1 0 304.393 4.658 20 30 DJEDRO Cc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)ccc1C#N ZINC000488113322 339770762 /nfs/dbraw/zinc/77/07/62/339770762.db2.gz JCHKJNHBPNZERE-MRXNPFEDSA-N 1 0 300.405 4.871 20 30 DJEDRO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCCCC#N ZINC000489480122 339810214 /nfs/dbraw/zinc/81/02/14/339810214.db2.gz AAPUTHIJMHAPNH-SFHVURJKSA-N 1 0 314.473 4.790 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494492940 339951283 /nfs/dbraw/zinc/95/12/83/339951283.db2.gz IWMZPQMYKGIDJD-ZLIFDBKOSA-N 1 0 311.828 4.644 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)CC2 ZINC000495147566 339976253 /nfs/dbraw/zinc/97/62/53/339976253.db2.gz QHJREQSWIYBLOL-FQEVSTJZSA-N 1 0 308.400 4.598 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795297 340023435 /nfs/dbraw/zinc/02/34/35/340023435.db2.gz OETJGYXSRAJKTA-LRDDRELGSA-N 1 0 320.230 4.686 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000499961325 340047684 /nfs/dbraw/zinc/04/76/84/340047684.db2.gz IYULSXXVOGECSU-RPCJCACASA-N 1 0 304.437 4.741 20 30 DJEDRO Cc1ccccc1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500080224 340049747 /nfs/dbraw/zinc/04/97/47/340049747.db2.gz CQLOZZHFYFPHBM-UHFFFAOYSA-N 1 0 318.464 4.531 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccs1 ZINC000500080854 340049753 /nfs/dbraw/zinc/04/97/53/340049753.db2.gz GGWVAMGKVWYMDY-DMKPSLHHSA-N 1 0 310.466 4.803 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000500244656 340053960 /nfs/dbraw/zinc/05/39/60/340053960.db2.gz RIDGKTUPNWKSAO-HXUWFJFHSA-N 1 0 311.400 4.558 20 30 DJEDRO Cc1cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N ZINC000500431482 340058551 /nfs/dbraw/zinc/05/85/51/340058551.db2.gz XTWOXBJOWLABQT-AUUYWEPGSA-N 1 0 310.828 4.545 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000501248331 340077046 /nfs/dbraw/zinc/07/70/46/340077046.db2.gz NCHGUIJMWQUJRS-UHFFFAOYSA-N 1 0 320.436 4.516 20 30 DJEDRO C=CCN(Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000502330040 340099944 /nfs/dbraw/zinc/09/99/44/340099944.db2.gz GJIQVUMPUBPZGU-UHFFFAOYSA-N 1 0 322.383 4.669 20 30 DJEDRO N#Cc1cccc(C[N@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC000503673166 340133288 /nfs/dbraw/zinc/13/32/88/340133288.db2.gz LIFCBVSNXABKMJ-UHFFFAOYSA-N 1 0 310.828 4.624 20 30 DJEDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000503946927 340138278 /nfs/dbraw/zinc/13/82/78/340138278.db2.gz LDVHJLVCOYGVKE-QWHCGFSZSA-N 1 0 314.429 4.831 20 30 DJEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(SC)c(OC)c1 ZINC000506018061 340183491 /nfs/dbraw/zinc/18/34/91/340183491.db2.gz XOKSIRVFOWXZJI-UHFFFAOYSA-N 1 0 319.495 4.667 20 30 DJEDRO CC(C)(CCC#N)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000506370413 340193407 /nfs/dbraw/zinc/19/34/07/340193407.db2.gz QCKGDNJFDGYFJS-UHFFFAOYSA-N 1 0 302.849 4.759 20 30 DJEDRO Cc1cccc(C2([NH2+]Cc3ccc(F)cc3C#N)CCCC2)c1 ZINC000506483605 340195374 /nfs/dbraw/zinc/19/53/74/340195374.db2.gz CLPBRKMWKRSJPA-UHFFFAOYSA-N 1 0 308.400 4.565 20 30 DJEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2cccs2)cc1OC ZINC000507433506 340219447 /nfs/dbraw/zinc/21/94/47/340219447.db2.gz LVWXBQMNBLJMBK-CQSZACIVSA-N 1 0 317.454 4.515 20 30 DJEDRO C[C@@H](Cc1cccs1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507652082 340227316 /nfs/dbraw/zinc/22/73/16/340227316.db2.gz HLFSICHPWHIIMB-VQSBYGRUSA-N 1 0 324.493 4.673 20 30 DJEDRO CCc1ccc(-c2ccc(C[NH+]3CCC(C)(C#N)CC3)o2)cc1 ZINC000507691814 340228305 /nfs/dbraw/zinc/22/83/05/340228305.db2.gz RFUGDKNPTXVYJI-UHFFFAOYSA-N 1 0 308.425 4.635 20 30 DJEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000508076043 340238865 /nfs/dbraw/zinc/23/88/65/340238865.db2.gz AKSJHYQCZXKKHN-JOCHJYFZSA-N 1 0 318.464 4.998 20 30 DJEDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000508077572 340238887 /nfs/dbraw/zinc/23/88/87/340238887.db2.gz IJFPLBVUAURGJN-JOCHJYFZSA-N 1 0 318.464 4.998 20 30 DJEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc2ccccc21 ZINC000512212137 340352491 /nfs/dbraw/zinc/35/24/91/340352491.db2.gz MTVDTVKRJRACRS-UHFFFAOYSA-N 1 0 321.420 4.503 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](C)C2 ZINC000512294728 340356038 /nfs/dbraw/zinc/35/60/38/340356038.db2.gz KBDPJYHKVPDEPE-PJSUUKDQSA-N 1 0 308.400 4.590 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1 ZINC000512416762 340361127 /nfs/dbraw/zinc/36/11/27/340361127.db2.gz VNBHSRCDQIJCQU-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO C=C(C)C[N@@H+](CCCc1ccsc1)Cc1cnn(C(C)C)c1 ZINC000512556722 340366683 /nfs/dbraw/zinc/36/66/83/340366683.db2.gz FZSJCMMCVPSSSN-UHFFFAOYSA-N 1 0 317.502 4.536 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)s1 ZINC000512616381 340369201 /nfs/dbraw/zinc/36/92/01/340369201.db2.gz ASWFGRUYEDCQAJ-NWDGAFQWSA-N 1 0 302.418 4.788 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512631387 340369957 /nfs/dbraw/zinc/36/99/57/340369957.db2.gz QMXDYAFJXLODEN-VHSXEESVSA-N 1 0 308.809 4.824 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000512631385 340369984 /nfs/dbraw/zinc/36/99/84/340369984.db2.gz QMXDYAFJXLODEN-NXEZZACHSA-N 1 0 308.809 4.824 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1F ZINC000512653522 340371035 /nfs/dbraw/zinc/37/10/35/340371035.db2.gz FTOWSEXELAAELS-YJYMSZOUSA-N 1 0 308.400 4.771 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(C#N)cc1F ZINC000512653854 340371142 /nfs/dbraw/zinc/37/11/42/340371142.db2.gz HKFGQWAYZFSEJU-BLVKFPJESA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1ccc(C#N)cc1F ZINC000512661606 340371738 /nfs/dbraw/zinc/37/17/38/340371738.db2.gz SXOLYPIZLKFAJB-GTNSWQLSSA-N 1 0 300.402 4.561 20 30 DJEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000512665139 340371861 /nfs/dbraw/zinc/37/18/61/340371861.db2.gz DRIGBMXDHZGYSJ-KGLIPLIRSA-N 1 0 314.429 4.529 20 30 DJEDRO Cc1cc(C)cc(-c2ccc(C[NH+]3CCC(C#N)CC3)cc2)c1 ZINC000512690041 340373236 /nfs/dbraw/zinc/37/32/36/340373236.db2.gz LBZICYJTFBMQKC-UHFFFAOYSA-N 1 0 304.437 4.706 20 30 DJEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404073808 340376869 /nfs/dbraw/zinc/37/68/69/340376869.db2.gz MOCATDTZYVVSGF-GFCCVEGCSA-N 1 0 302.780 4.544 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000513111367 340393869 /nfs/dbraw/zinc/39/38/69/340393869.db2.gz DDOILYXVQNERQK-UHFFFAOYSA-N 1 0 304.437 4.999 20 30 DJEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000513648273 340417014 /nfs/dbraw/zinc/41/70/14/340417014.db2.gz QJKIESAIHJVRLY-KBPBESRZSA-N 1 0 314.379 4.508 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000310260917 340438245 /nfs/dbraw/zinc/43/82/45/340438245.db2.gz HPSSHIXDCKVKGA-UHFFFAOYSA-N 1 0 322.452 4.685 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000192147381 340563081 /nfs/dbraw/zinc/56/30/81/340563081.db2.gz PAEIGIDANSYLRR-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Br)cc1 ZINC000229679304 340614727 /nfs/dbraw/zinc/61/47/27/340614727.db2.gz GYQVDARWYGCOLO-HNNXBMFYSA-N 1 0 323.278 4.820 20 30 DJEDRO CC(C)(C)C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000236627440 340663157 /nfs/dbraw/zinc/66/31/57/340663157.db2.gz RRMVROCPTNESHE-LJQANCHMSA-N 1 0 310.416 4.964 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(OC)cc2)cc1 ZINC000236943727 340666741 /nfs/dbraw/zinc/66/67/41/340666741.db2.gz HITDPYDCDOLHMD-FQEVSTJZSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000537975564 340794887 /nfs/dbraw/zinc/79/48/87/340794887.db2.gz UJXPTZQTLIIFJR-HOTGVXAUSA-N 1 0 321.892 4.579 20 30 DJEDRO N#Cc1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)s1 ZINC000538314865 340817912 /nfs/dbraw/zinc/81/79/12/340817912.db2.gz ZTSQYALRIASICH-UHFFFAOYSA-N 1 0 318.445 4.541 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000538397048 340820955 /nfs/dbraw/zinc/82/09/55/340820955.db2.gz NQZCTKKKNXJIBU-NSHDSACASA-N 1 0 305.208 4.716 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)c1cccc(C#N)c1 ZINC000539494202 340887104 /nfs/dbraw/zinc/88/71/04/340887104.db2.gz BCNOJFJBFAYWRU-PJSUUKDQSA-N 1 0 308.400 4.672 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000540174736 340920482 /nfs/dbraw/zinc/92/04/82/340920482.db2.gz WGOABCBXJSXYCY-OLZOCXBDSA-N 1 0 316.470 4.742 20 30 DJEDRO C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)c1cccc(C#N)c1 ZINC000540596525 340937656 /nfs/dbraw/zinc/93/76/56/340937656.db2.gz OYIQRGYSDXUYNS-GUYCJALGSA-N 1 0 318.342 4.903 20 30 DJEDRO CC1(C)CC[C@@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)c3cccc1c32 ZINC000540689605 340941641 /nfs/dbraw/zinc/94/16/41/340941641.db2.gz ZWPBDIUCWWLJHB-XLIONFOSSA-N 1 0 316.448 4.948 20 30 DJEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210455 341000381 /nfs/dbraw/zinc/00/03/81/341000381.db2.gz SIXMORGJTPMURI-QRWLVFNGSA-N 1 0 320.436 4.634 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)cc1 ZINC000542254224 341002103 /nfs/dbraw/zinc/00/21/03/341002103.db2.gz QQWDENHMXNTSKV-NRFANRHFSA-N 1 0 322.427 4.913 20 30 DJEDRO N#CCc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000542258404 341002350 /nfs/dbraw/zinc/00/23/50/341002350.db2.gz ARUBSZNQTYOKEW-UHFFFAOYSA-N 1 0 324.855 4.965 20 30 DJEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(Cl)s1 ZINC000542558906 341013550 /nfs/dbraw/zinc/01/35/50/341013550.db2.gz FYPCWJAOOKQWCN-ZDUSSCGKSA-N 1 0 320.845 4.523 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccc(Cl)s1 ZINC000542558905 341013670 /nfs/dbraw/zinc/01/36/70/341013670.db2.gz FYPCWJAOOKQWCN-CYBMUJFWSA-N 1 0 320.845 4.523 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000542853893 341023776 /nfs/dbraw/zinc/02/37/76/341023776.db2.gz LZPDJXKHHUVAQF-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000130546687 341027318 /nfs/dbraw/zinc/02/73/18/341027318.db2.gz GAQKEQXABZRKOL-KRWDZBQOSA-N 1 0 302.780 4.614 20 30 DJEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183259 341035628 /nfs/dbraw/zinc/03/56/28/341035628.db2.gz LRLDXWJONRIPRG-XMCHAPAWSA-N 1 0 324.855 4.893 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000543185371 341035789 /nfs/dbraw/zinc/03/57/89/341035789.db2.gz KTQKARDTPZBNJQ-CYBMUJFWSA-N 1 0 318.342 4.622 20 30 DJEDRO N#CCCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000543411516 341042783 /nfs/dbraw/zinc/04/27/83/341042783.db2.gz PMZSCNMMUYSOLZ-UHFFFAOYSA-N 1 0 324.371 4.827 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(Cl)s1 ZINC000543484811 341047013 /nfs/dbraw/zinc/04/70/13/341047013.db2.gz FKJXPUKWKCTVLI-CYBMUJFWSA-N 1 0 320.845 4.523 20 30 DJEDRO CC(C)C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccs1 ZINC000543487822 341047096 /nfs/dbraw/zinc/04/70/96/341047096.db2.gz RNPBAWRSUCDVRH-INIZCTEOSA-N 1 0 302.418 4.636 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602139 341050805 /nfs/dbraw/zinc/05/08/05/341050805.db2.gz GRCFCZKRSJWTIA-YJYMSZOUSA-N 1 0 310.828 4.940 20 30 DJEDRO N#CCc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000544069011 341069062 /nfs/dbraw/zinc/06/90/62/341069062.db2.gz CHFJYAPGBKJOJB-UHFFFAOYSA-N 1 0 316.404 4.548 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000544826877 341095006 /nfs/dbraw/zinc/09/50/06/341095006.db2.gz HMLIIUGSXOMZRY-KBXCAEBGSA-N 1 0 300.833 4.573 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000544826881 341095029 /nfs/dbraw/zinc/09/50/29/341095029.db2.gz HMLIIUGSXOMZRY-KSSFIOAISA-N 1 0 300.833 4.573 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872192 341143658 /nfs/dbraw/zinc/14/36/58/341143658.db2.gz XBHHRJHUHAYABV-BZUAXINKSA-N 1 0 310.363 4.623 20 30 DJEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 ZINC000236733838 341197342 /nfs/dbraw/zinc/19/73/42/341197342.db2.gz VERUMXVNGXXSMG-UHFFFAOYSA-N 1 0 323.223 4.525 20 30 DJEDRO Cc1cccc(-c2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)c1 ZINC000237814470 341221219 /nfs/dbraw/zinc/22/12/19/341221219.db2.gz FGCDOFCICDBUOG-UHFFFAOYSA-N 1 0 318.445 4.885 20 30 DJEDRO C=CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000547749539 341230257 /nfs/dbraw/zinc/23/02/57/341230257.db2.gz JQSGMPHTHXOPAJ-GFCCVEGCSA-N 1 0 311.269 4.865 20 30 DJEDRO CCCC[C@@H](CC)CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548793841 341276000 /nfs/dbraw/zinc/27/60/00/341276000.db2.gz XGOTUJZHWIBQAA-GOSISDBHSA-N 1 0 313.489 4.545 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000549717688 341301275 /nfs/dbraw/zinc/30/12/75/341301275.db2.gz JLBLABXUEUYOKL-RSAASHCRSA-N 1 0 309.240 4.726 20 30 DJEDRO C=CCCCCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551418207 341341149 /nfs/dbraw/zinc/34/11/49/341341149.db2.gz LOHFDXLSPZBOPO-MRXNPFEDSA-N 1 0 323.278 4.631 20 30 DJEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000551557852 341345486 /nfs/dbraw/zinc/34/54/86/341345486.db2.gz MKSSKELDNRVPJG-GOSISDBHSA-N 1 0 310.828 4.942 20 30 DJEDRO Cc1cc(C)c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C ZINC000551564857 341345672 /nfs/dbraw/zinc/34/56/72/341345672.db2.gz QHVJMOOSRZVFCN-QGZVFWFLSA-N 1 0 304.437 4.823 20 30 DJEDRO CC(C)(C#N)CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000551775677 341350917 /nfs/dbraw/zinc/35/09/17/341350917.db2.gz KIUNDSDCCLSWIO-UHFFFAOYSA-N 1 0 310.363 4.610 20 30 DJEDRO Cc1ccc2cc([C@@H](C)[NH2+]C3(c4cccc(C#N)c4)CC3)oc2c1 ZINC000551813171 341352734 /nfs/dbraw/zinc/35/27/34/341352734.db2.gz IVUNVXZZESSBDP-OAHLLOKOSA-N 1 0 316.404 4.953 20 30 DJEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000247335930 341363738 /nfs/dbraw/zinc/36/37/38/341363738.db2.gz NFCAKUBDMMUVLM-LQAWEQHXSA-N 1 0 316.857 4.760 20 30 DJEDRO COc1ccc([C@@H](C)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000552312930 341385691 /nfs/dbraw/zinc/38/56/91/341385691.db2.gz CFMRAJOFMRTQHJ-LAUBAEHRSA-N 1 0 322.452 4.823 20 30 DJEDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1 ZINC000552969104 341411074 /nfs/dbraw/zinc/41/10/74/341411074.db2.gz HOMXOUXPMPUAFO-KRWDZBQOSA-N 1 0 306.453 4.955 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F ZINC000552969323 341411091 /nfs/dbraw/zinc/41/10/91/341411091.db2.gz MTOOFFHXIMHTNA-BUXKBTBVSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000553759220 341435507 /nfs/dbraw/zinc/43/55/07/341435507.db2.gz HJZFDJNZHGYQGH-BJJXKVORSA-N 1 0 310.363 4.578 20 30 DJEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000554359575 341451018 /nfs/dbraw/zinc/45/10/18/341451018.db2.gz RKHABGZCYIURCF-GFCCVEGCSA-N 1 0 314.351 4.566 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3cccc4ccccc43)CC2)C1 ZINC000555334596 341480308 /nfs/dbraw/zinc/48/03/08/341480308.db2.gz YHNILAAOLCDHTJ-QFBILLFUSA-N 1 0 304.437 4.711 20 30 DJEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(C2CC2)c1 ZINC000556151534 341495743 /nfs/dbraw/zinc/49/57/43/341495743.db2.gz PFRPBNFBWRRTTK-HNNXBMFYSA-N 1 0 302.421 4.776 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000564740229 341508095 /nfs/dbraw/zinc/50/80/95/341508095.db2.gz CRNYHGTXOCKLJI-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000564740232 341508117 /nfs/dbraw/zinc/50/81/17/341508117.db2.gz CRNYHGTXOCKLJI-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC(CC#N)CC1 ZINC000565375151 341525465 /nfs/dbraw/zinc/52/54/65/341525465.db2.gz VDGCXZUUGUIXBY-WYMLVPIESA-N 1 0 322.374 4.734 20 30 DJEDRO CSc1ccc2c(c1)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCC2 ZINC000565716092 341536132 /nfs/dbraw/zinc/53/61/32/341536132.db2.gz HIJKOFBRGWHFBD-ZOJXTTQQSA-N 1 0 314.498 4.705 20 30 DJEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000565984392 341544627 /nfs/dbraw/zinc/54/46/27/341544627.db2.gz VOCJETAHLHRGFK-UHFFFAOYSA-N 1 0 318.342 4.602 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000154324077 341587989 /nfs/dbraw/zinc/58/79/89/341587989.db2.gz NTVGXAPEUVTREH-SGTLLEGYSA-N 1 0 300.352 4.638 20 30 DJEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000567798265 341634107 /nfs/dbraw/zinc/63/41/07/341634107.db2.gz FYBAMDBHDMHDIZ-UBWHGVKJSA-N 1 0 320.411 4.598 20 30 DJEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569055313 341689577 /nfs/dbraw/zinc/68/95/77/341689577.db2.gz FUQSDTMQBGZKGL-YCRPNKLZSA-N 1 0 320.436 4.684 20 30 DJEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000573843638 341740990 /nfs/dbraw/zinc/74/09/90/341740990.db2.gz VKKLSQATMBQNHZ-YNEHKIRRSA-N 1 0 319.836 4.641 20 30 DJEDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000173934315 341821779 /nfs/dbraw/zinc/82/17/79/341821779.db2.gz BZTWJZWSIHFECB-INIZCTEOSA-N 1 0 308.425 4.588 20 30 DJEDRO N#CCC1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000576522556 341850667 /nfs/dbraw/zinc/85/06/67/341850667.db2.gz OZMIWVINJXJWNH-UHFFFAOYSA-N 1 0 311.256 4.552 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)s1 ZINC000176964636 341908107 /nfs/dbraw/zinc/90/81/07/341908107.db2.gz YEAKGAPIFOPMIZ-QGZVFWFLSA-N 1 0 316.857 4.904 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000177681263 341923603 /nfs/dbraw/zinc/92/36/03/341923603.db2.gz RYGPBHADJFIYNG-FQEVSTJZSA-N 1 0 318.445 4.693 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000353280084 517829544 /nfs/dbraw/zinc/82/95/44/517829544.db2.gz ZTEUEBDNWMURDT-RBUKOAKNSA-N 1 0 312.363 4.565 20 30 DJEDRO N#Cc1ccc(F)c(C[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC000533387083 331513349 /nfs/dbraw/zinc/51/33/49/331513349.db2.gz ZNEFJFKCPMFBMA-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1csc(C(C)C)n1)c1ccco1 ZINC000556873377 331746130 /nfs/dbraw/zinc/74/61/30/331746130.db2.gz WLHBJTXXEZTMFJ-HNNXBMFYSA-N 1 0 304.459 4.699 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc2ccccc12 ZINC000557518161 331796837 /nfs/dbraw/zinc/79/68/37/331796837.db2.gz VEINYRBHUQJYMN-IBGZPJMESA-N 1 0 318.445 4.940 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1csc2ccccc12 ZINC000557518163 331796864 /nfs/dbraw/zinc/79/68/64/331796864.db2.gz VEINYRBHUQJYMN-LJQANCHMSA-N 1 0 318.445 4.940 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000584142878 331840932 /nfs/dbraw/zinc/84/09/32/331840932.db2.gz XNNLOTNXTMMIIQ-NHCUHLMSSA-N 1 0 304.437 4.841 20 30 DJEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000558506301 331914375 /nfs/dbraw/zinc/91/43/75/331914375.db2.gz YYJVBWQTLUUENB-CYBMUJFWSA-N 1 0 300.352 4.586 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000518275942 332004888 /nfs/dbraw/zinc/00/48/88/332004888.db2.gz YIAFZKVRYDVGIZ-OAQYLSRUSA-N 1 0 307.437 4.882 20 30 DJEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000569352495 332023138 /nfs/dbraw/zinc/02/31/38/332023138.db2.gz QTRHNNHAFRIGJQ-KBXCAEBGSA-N 1 0 315.848 4.604 20 30 DJEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665031 332092100 /nfs/dbraw/zinc/09/21/00/332092100.db2.gz FHNREWQIRGRYGK-SFTDATJTSA-N 1 0 320.436 4.707 20 30 DJEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664949 332092217 /nfs/dbraw/zinc/09/22/17/332092217.db2.gz LOQQGWCBJUUJHL-VQTJNVASSA-N 1 0 320.436 4.707 20 30 DJEDRO N#CCCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180931680 332165123 /nfs/dbraw/zinc/16/51/23/332165123.db2.gz OWZBGBXEWQJZRX-UHFFFAOYSA-N 1 0 322.330 4.749 20 30 DJEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000448027362 332198339 /nfs/dbraw/zinc/19/83/39/332198339.db2.gz MQHGZCZEQDUJPK-JTQLQIEISA-N 1 0 321.314 4.506 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000559842026 332285263 /nfs/dbraw/zinc/28/52/63/332285263.db2.gz KLRQJSDGRGOLSI-ZOJXTTQQSA-N 1 0 316.876 4.581 20 30 DJEDRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000559882618 332288261 /nfs/dbraw/zinc/28/82/61/332288261.db2.gz PDAJDNQWTPMCSH-WNYOCNMUSA-N 1 0 308.400 4.542 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 ZINC000559879159 332288933 /nfs/dbraw/zinc/28/89/33/332288933.db2.gz ZIZGPPHDIYPMAZ-SFHVURJKSA-N 1 0 314.379 4.911 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000559919904 332293850 /nfs/dbraw/zinc/29/38/50/332293850.db2.gz STXXWAPXTRHAGQ-JQFCIGGWSA-N 1 0 310.828 4.808 20 30 DJEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000560069623 332308132 /nfs/dbraw/zinc/30/81/32/332308132.db2.gz BWNDHWIWHBUUDW-UHFFFAOYSA-N 1 0 317.219 4.644 20 30 DJEDRO Cc1ccccc1-c1ccccc1C[NH+]1CCC(CC#N)CC1 ZINC000560113947 332311950 /nfs/dbraw/zinc/31/19/50/332311950.db2.gz VISSFGBYQODGPK-UHFFFAOYSA-N 1 0 304.437 4.788 20 30 DJEDRO N#CC1(C[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000560177203 332317186 /nfs/dbraw/zinc/31/71/86/332317186.db2.gz UTTZKJKFZUOLKN-IRXDYDNUSA-N 1 0 302.849 4.650 20 30 DJEDRO C[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000560563731 332361536 /nfs/dbraw/zinc/36/15/36/332361536.db2.gz FHBHHFRSBIVMMD-NQIIRXRSSA-N 1 0 306.453 4.890 20 30 DJEDRO Cc1cc(C)c(C[NH2+]Cc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237818833 332391999 /nfs/dbraw/zinc/39/19/99/332391999.db2.gz DSYBGJYPLWAXCS-UHFFFAOYSA-N 1 0 322.452 4.584 20 30 DJEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000237826141 332392905 /nfs/dbraw/zinc/39/29/05/332392905.db2.gz JYZGDUGFXDKMKL-NRFANRHFSA-N 1 0 320.436 4.536 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000569630222 332474594 /nfs/dbraw/zinc/47/45/94/332474594.db2.gz WFNPYEJSOJSHPS-YGRLFVJLSA-N 1 0 302.830 4.611 20 30 DJEDRO CC[C@H]([NH2+]Cc1c(C)oc2ccccc21)c1ccc(C#N)cc1 ZINC000569914573 332692462 /nfs/dbraw/zinc/69/24/62/332692462.db2.gz YQMYGUBCDFGBAT-IBGZPJMESA-N 1 0 304.393 4.854 20 30 DJEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C)c1ccccc1 ZINC000159879737 332720354 /nfs/dbraw/zinc/72/03/54/332720354.db2.gz VWWGTELYDHYTOQ-LJQANCHMSA-N 1 0 322.452 4.539 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1F ZINC000181343939 333030210 /nfs/dbraw/zinc/03/02/10/333030210.db2.gz WUWFDTWPJJTGQS-OAHLLOKOSA-N 1 0 310.416 4.786 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)cc2)cc1 ZINC000378879897 333059257 /nfs/dbraw/zinc/05/92/57/333059257.db2.gz CXIGHMQGVDPFRN-INIZCTEOSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCC[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccco1 ZINC000580303232 333081687 /nfs/dbraw/zinc/08/16/87/333081687.db2.gz MSCFDPGPGGKMMC-WSTZPKSXSA-N 1 0 311.425 4.654 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000174808855 333091058 /nfs/dbraw/zinc/09/10/58/333091058.db2.gz PNOBKIQYQBWPOT-OAHLLOKOSA-N 1 0 313.470 4.763 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000540170700 333134804 /nfs/dbraw/zinc/13/48/04/333134804.db2.gz TVKMRKGXZZVOBD-RYUDHWBXSA-N 1 0 304.434 4.873 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(SCC(F)(F)F)cc1 ZINC000178640790 333141657 /nfs/dbraw/zinc/14/16/57/333141657.db2.gz RWHPSFNXCRQWKA-LBPRGKRZSA-N 1 0 316.392 4.685 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(SCC(F)(F)F)cc1 ZINC000178640804 333141778 /nfs/dbraw/zinc/14/17/78/333141778.db2.gz RWHPSFNXCRQWKA-GFCCVEGCSA-N 1 0 316.392 4.685 20 30 DJEDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000180543283 333162854 /nfs/dbraw/zinc/16/28/54/333162854.db2.gz WVEZOFWVYXKXPV-IAGOWNOFSA-N 1 0 308.425 4.618 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180539023 333162949 /nfs/dbraw/zinc/16/29/49/333162949.db2.gz VATIFZMHBUZXML-QRWLVFNGSA-N 1 0 320.436 4.662 20 30 DJEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685269 333171515 /nfs/dbraw/zinc/17/15/15/333171515.db2.gz BCOKTFZEWKCIFF-IERDGZPVSA-N 1 0 320.436 4.781 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000182090020 333175605 /nfs/dbraw/zinc/17/56/05/333175605.db2.gz FERZNLYKXKZVNU-XFQAVAEZSA-N 1 0 320.436 4.563 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 ZINC000185817794 333214661 /nfs/dbraw/zinc/21/46/61/333214661.db2.gz NVALAVZKTPXKLY-YCPHGPKFSA-N 1 0 311.454 4.543 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC000185843565 333215010 /nfs/dbraw/zinc/21/50/10/333215010.db2.gz RHDKOBVRQLSJIF-CHWSQXEVSA-N 1 0 302.468 4.571 20 30 DJEDRO Cc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C2CCC2)cc1 ZINC000187326951 333230722 /nfs/dbraw/zinc/23/07/22/333230722.db2.gz VFAYXWUTHLLACB-OAQYLSRUSA-N 1 0 320.436 4.528 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000500041033 333321918 /nfs/dbraw/zinc/32/19/18/333321918.db2.gz SLIPNXXSUKWWQE-UHFFFAOYSA-N 1 0 308.469 4.871 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000319655535 333393435 /nfs/dbraw/zinc/39/34/35/333393435.db2.gz FZCZOLJPHCMVSL-DYVFJYSZSA-N 1 0 318.342 4.903 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1cccc(C#N)c1 ZINC000320008841 333421061 /nfs/dbraw/zinc/42/10/61/333421061.db2.gz DWUJDTZCOCKPHT-CVEARBPZSA-N 1 0 304.437 4.849 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1ccc(C#N)cc1 ZINC000391169569 333422419 /nfs/dbraw/zinc/42/24/19/333422419.db2.gz FKASXYPOCPQCCA-ZDUSSCGKSA-N 1 0 321.811 4.611 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338771497 333497614 /nfs/dbraw/zinc/49/76/14/333497614.db2.gz GJBCTSNYDVQOHF-VRXWPRPYSA-N 1 0 304.437 4.813 20 30 DJEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000531698741 333547032 /nfs/dbraw/zinc/54/70/32/333547032.db2.gz QJQWPBROWWJXJY-UHFFFAOYSA-N 1 0 310.828 4.771 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](c3cccc(F)c3)C1)CC2 ZINC000571129233 333666758 /nfs/dbraw/zinc/66/67/58/333666758.db2.gz IVOSFTJQTNUDMO-HFSMHLIXSA-N 1 0 320.411 4.611 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1OCc1ccccc1 ZINC000411449462 333675340 /nfs/dbraw/zinc/67/53/40/333675340.db2.gz GLBSSHSDNWIDKE-DLBZAZTESA-N 1 0 308.425 4.608 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000411449463 333675447 /nfs/dbraw/zinc/67/54/47/333675447.db2.gz GLBSSHSDNWIDKE-IAGOWNOFSA-N 1 0 308.425 4.608 20 30 DJEDRO C=CCC[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccco1 ZINC000571187562 333679337 /nfs/dbraw/zinc/67/93/37/333679337.db2.gz YHLNOQHEEMEVHR-FQEVSTJZSA-N 1 0 324.468 4.793 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000411615606 333698062 /nfs/dbraw/zinc/69/80/62/333698062.db2.gz RTHVWGCBQGRDRQ-INWMFGNUSA-N 1 0 310.363 4.623 20 30 DJEDRO Cc1nc(-c2cc([C@H](C)[NH2+]CC(C)(C)CC#N)cs2)cs1 ZINC000414168414 333917119 /nfs/dbraw/zinc/91/71/19/333917119.db2.gz QQDVNNYFBYYFBI-NSHDSACASA-N 1 0 319.499 4.771 20 30 DJEDRO C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)CC(F)(F)F ZINC000414269224 333930860 /nfs/dbraw/zinc/93/08/60/333930860.db2.gz ORTBSWZRSKLISJ-WBMJQRKESA-N 1 0 310.363 4.504 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271860998 334027722 /nfs/dbraw/zinc/02/77/22/334027722.db2.gz KJJWXACXRWHIQF-IERDGZPVSA-N 1 0 320.436 4.699 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1C ZINC000273001056 334041921 /nfs/dbraw/zinc/04/19/21/334041921.db2.gz XQZFRUAFKUQNNI-LPHOPBHVSA-N 1 0 308.425 4.699 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274629033 334063990 /nfs/dbraw/zinc/06/39/90/334063990.db2.gz OMLMQHMZOWETFJ-FCEWJHQRSA-N 1 0 320.436 4.705 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000277879414 334091588 /nfs/dbraw/zinc/09/15/88/334091588.db2.gz ZDSTYMWRBORQLI-HNNXBMFYSA-N 1 0 318.486 4.505 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000278634762 334098930 /nfs/dbraw/zinc/09/89/30/334098930.db2.gz GQTKKAUKGIUCKE-CYBMUJFWSA-N 1 0 310.388 4.659 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2ccccc2c1O ZINC000282355161 334133770 /nfs/dbraw/zinc/13/37/70/334133770.db2.gz PMGBAICBIBSBFZ-FHERZECASA-N 1 0 308.425 4.526 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000284325590 334143130 /nfs/dbraw/zinc/14/31/30/334143130.db2.gz MAZUTWWSBFDRCW-HOTGVXAUSA-N 1 0 310.363 4.625 20 30 DJEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 ZINC000289375506 334164649 /nfs/dbraw/zinc/16/46/49/334164649.db2.gz IRABRDUVWJHXGH-INIZCTEOSA-N 1 0 323.440 4.854 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721053 334191370 /nfs/dbraw/zinc/19/13/70/334191370.db2.gz APXOAECJSUAKSQ-ZFWWWQNUSA-N 1 0 320.889 4.589 20 30 DJEDRO CCc1cccc2c(C3CC[NH+]([C@@H]4CC[C@H](C#N)C4)CC3)c[nH]c21 ZINC000293384187 334197927 /nfs/dbraw/zinc/19/79/27/334197927.db2.gz GLYHHBZSQUOZLT-MAUKXSAKSA-N 1 0 321.468 4.602 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000340428862 334198321 /nfs/dbraw/zinc/19/83/21/334198321.db2.gz BESMARCQVNJRRA-YWZLYKJASA-N 1 0 321.399 4.783 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430887 334199195 /nfs/dbraw/zinc/19/91/95/334199195.db2.gz HZIBBCHFGZUBGN-UXHICEINSA-N 1 0 320.436 4.794 20 30 DJEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340433536 334199627 /nfs/dbraw/zinc/19/96/27/334199627.db2.gz PHHCVVOPKKEAFM-OXJNMPFZSA-N 1 0 310.416 4.781 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000293761598 334201965 /nfs/dbraw/zinc/20/19/65/334201965.db2.gz JZBGXEKOFTZNRU-SUMWQHHRSA-N 1 0 322.374 4.577 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441741 334202418 /nfs/dbraw/zinc/20/24/18/334202418.db2.gz DLUZMAQLLPCUOP-FOIQADDNSA-N 1 0 321.399 4.783 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445976 334203402 /nfs/dbraw/zinc/20/34/02/334203402.db2.gz MLFNHMZNYVZXKZ-DNVCBOLYSA-N 1 0 323.396 4.681 20 30 DJEDRO Cc1nc(C)c([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000340446026 334203417 /nfs/dbraw/zinc/20/34/17/334203417.db2.gz NDLUNSBIHXTLSA-WMLDXEAASA-N 1 0 313.470 4.846 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000340445124 334203801 /nfs/dbraw/zinc/20/38/01/334203801.db2.gz KNAWGRFPSXMDII-LEWJYISDSA-N 1 0 315.420 4.570 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447957 334204511 /nfs/dbraw/zinc/20/45/11/334204511.db2.gz QGSNTXKBGWWXQN-LEWJYISDSA-N 1 0 320.436 4.794 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447958 334204545 /nfs/dbraw/zinc/20/45/45/334204545.db2.gz QGSNTXKBGWWXQN-NHCUHLMSSA-N 1 0 320.436 4.794 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453050 334205455 /nfs/dbraw/zinc/20/54/55/334205455.db2.gz RBFVHQYRRBYEMI-MAUKXSAKSA-N 1 0 322.408 4.501 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340454923 334207269 /nfs/dbraw/zinc/20/72/69/334207269.db2.gz TUYATOQSSNYZTI-OXJNMPFZSA-N 1 0 308.425 4.781 20 30 DJEDRO C=CCOc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1Cl ZINC000534898809 334347392 /nfs/dbraw/zinc/34/73/92/334347392.db2.gz FSQRDSHJZUHGCN-UHFFFAOYSA-N 1 0 315.791 4.572 20 30 DJEDRO CC[N@H+](Cc1ccnc2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000535081505 334366018 /nfs/dbraw/zinc/36/60/18/334366018.db2.gz ZZKWUODTLGNSNX-MRXNPFEDSA-N 1 0 315.420 4.690 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)s1 ZINC000341756052 334477008 /nfs/dbraw/zinc/47/70/08/334477008.db2.gz BSXAOAOVYPSNAR-BFUOFWGJSA-N 1 0 310.466 4.965 20 30 DJEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCCCC#N ZINC000341856316 334485431 /nfs/dbraw/zinc/48/54/31/334485431.db2.gz VDPLHGXONMBVSQ-MRXNPFEDSA-N 1 0 308.853 4.719 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F ZINC000341898377 334493293 /nfs/dbraw/zinc/49/32/93/334493293.db2.gz SUWXHVTVJWUUCM-SGTLLEGYSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000342801778 334573084 /nfs/dbraw/zinc/57/30/84/334573084.db2.gz YKGOMRMFBMHXJE-QRWLVFNGSA-N 1 0 302.421 4.776 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417313170 334705291 /nfs/dbraw/zinc/70/52/91/334705291.db2.gz VAYZWEXFUSYHPW-SPUZQDLCSA-N 1 0 310.466 4.875 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000343702052 335189143 /nfs/dbraw/zinc/18/91/43/335189143.db2.gz YADSFLAIVZKGEO-KRWDZBQOSA-N 1 0 318.342 4.536 20 30 DJEDRO COc1ccc([C@H]([NH2+]CCCCC(C)(C)C#N)C(C)C)cc1 ZINC000444690205 338482984 /nfs/dbraw/zinc/48/29/84/338482984.db2.gz RLDFZIDGXCTBRM-GOSISDBHSA-N 1 0 302.462 4.702 20 30 DJEDRO N#Cc1cc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)ccc1F ZINC000351094820 336013265 /nfs/dbraw/zinc/01/32/65/336013265.db2.gz DCLAPTKSLVSXIQ-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO C=CCC[C@H](NC(=O)Nc1c(C)ccnc1C)c1ccccc1 ZINC000351954717 336182731 /nfs/dbraw/zinc/18/27/31/336182731.db2.gz AJNUXLJFIDPVIC-KRWDZBQOSA-N 1 0 309.413 4.527 20 30 DJEDRO Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3F)CCCC2)c1 ZINC000532567277 336255798 /nfs/dbraw/zinc/25/57/98/336255798.db2.gz HYNUJVSDNYLWLC-UHFFFAOYSA-N 1 0 308.400 4.565 20 30 DJEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000192759193 336260722 /nfs/dbraw/zinc/26/07/22/336260722.db2.gz KCVRFLXHCXNEOE-CVEARBPZSA-N 1 0 308.425 4.757 20 30 DJEDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016924 336286997 /nfs/dbraw/zinc/28/69/97/336286997.db2.gz ZWRRMMJWIUXTDD-KGLIPLIRSA-N 1 0 314.454 4.679 20 30 DJEDRO CCCC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000103172601 336375218 /nfs/dbraw/zinc/37/52/18/336375218.db2.gz WXECSWBMFOQHFW-HXUWFJFHSA-N 1 0 308.425 4.588 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000034992583 336385047 /nfs/dbraw/zinc/38/50/47/336385047.db2.gz IUNFYHBERCCYNB-AWEZNQCLSA-N 1 0 301.817 4.756 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250714 336408281 /nfs/dbraw/zinc/40/82/81/336408281.db2.gz GGPZSOORWXHPLQ-MAUKXSAKSA-N 1 0 311.425 4.759 20 30 DJEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CS1 ZINC000353897950 336446633 /nfs/dbraw/zinc/44/66/33/336446633.db2.gz IMFJYQOUUCDMJJ-SQNIBIBYSA-N 1 0 302.487 4.541 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1 ZINC000353912181 336447513 /nfs/dbraw/zinc/44/75/13/336447513.db2.gz DUACIQVWDPZOPX-LJQANCHMSA-N 1 0 304.393 4.958 20 30 DJEDRO CCCc1csc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000353914072 336447625 /nfs/dbraw/zinc/44/76/25/336447625.db2.gz KQUXICVCOISYCS-KRWDZBQOSA-N 1 0 313.470 4.620 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccsc1Cl)c1ccccc1 ZINC000353917963 336448248 /nfs/dbraw/zinc/44/82/48/336448248.db2.gz WIKWLCDTYVXPCK-HNNXBMFYSA-N 1 0 304.846 4.926 20 30 DJEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc(OC)c1 ZINC000358329181 336624339 /nfs/dbraw/zinc/62/43/39/336624339.db2.gz ONCIZFMCFWWLIT-WOJBJXKFSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358330641 336624524 /nfs/dbraw/zinc/62/45/24/336624524.db2.gz RJYDBFFFABXPFG-OXQOHEQNSA-N 1 0 310.416 4.781 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1F ZINC000358567896 336634915 /nfs/dbraw/zinc/63/49/15/336634915.db2.gz KMMKLSSQTIZELX-LAPQFRIASA-N 1 0 308.400 4.987 20 30 DJEDRO COCCCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000359027738 336654077 /nfs/dbraw/zinc/65/40/77/336654077.db2.gz JYVIMWKKWPAIGV-LAUBAEHRSA-N 1 0 322.452 4.767 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000362277533 336790596 /nfs/dbraw/zinc/79/05/96/336790596.db2.gz DIFMTYHBZOFUST-JKSUJKDBSA-N 1 0 310.363 4.625 20 30 DJEDRO N#CC1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418144721 336896810 /nfs/dbraw/zinc/89/68/10/336896810.db2.gz UZLKSCUQPCWMIO-GOEBONIOSA-N 1 0 322.374 4.625 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000418137634 336897389 /nfs/dbraw/zinc/89/73/89/336897389.db2.gz BYNLTBREHIEXSU-SFHVURJKSA-N 1 0 314.791 4.518 20 30 DJEDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000584380408 337233100 /nfs/dbraw/zinc/23/31/00/337233100.db2.gz ZLGOSCRENINQQP-OAHLLOKOSA-N 1 0 324.390 4.556 20 30 DJEDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000583151232 337246706 /nfs/dbraw/zinc/24/67/06/337246706.db2.gz PUQVYUVWGIBJEJ-MRXNPFEDSA-N 1 0 324.493 4.799 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805289 337250450 /nfs/dbraw/zinc/25/04/50/337250450.db2.gz FBRGAZSEWFZLPB-WHOFXGATSA-N 1 0 306.862 4.549 20 30 DJEDRO CCC(CC)[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)CCO1 ZINC000583243393 337285451 /nfs/dbraw/zinc/28/54/51/337285451.db2.gz UAQDELWMRCMJEH-SLFFLAALSA-N 1 0 314.473 4.583 20 30 DJEDRO N#CCc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000398955732 337313337 /nfs/dbraw/zinc/31/33/37/337313337.db2.gz HYSAOTYQRIKFKN-UHFFFAOYSA-N 1 0 312.416 4.632 20 30 DJEDRO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)ccc1F ZINC000533063802 337806959 /nfs/dbraw/zinc/80/69/59/337806959.db2.gz WDHSTDOZRHJGFF-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)c(F)c1 ZINC000580501968 337840525 /nfs/dbraw/zinc/84/05/25/337840525.db2.gz XGOXCXJTIVTBRI-LBPRGKRZSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000090664903 337883930 /nfs/dbraw/zinc/88/39/30/337883930.db2.gz JLRPATNCLFUYEG-KKSFZXQISA-N 1 0 304.437 4.871 20 30 DJEDRO C=CCC[NH2+][C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000537051515 337884329 /nfs/dbraw/zinc/88/43/29/337884329.db2.gz XXOFFXDCQIWVJC-MRXNPFEDSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCN1CCC([NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000537296941 337929093 /nfs/dbraw/zinc/92/90/93/337929093.db2.gz ZIOMRWNNXSJOHQ-LJQANCHMSA-N 1 0 318.480 4.543 20 30 DJEDRO CCSc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000426288701 338024701 /nfs/dbraw/zinc/02/47/01/338024701.db2.gz DLFUJGRZGDFQES-CYBMUJFWSA-N 1 0 314.429 4.660 20 30 DJEDRO C=CCN(CCC#N)Cc1c(OC(C)C)ccc2ccccc21 ZINC000428852686 338062334 /nfs/dbraw/zinc/06/23/34/338062334.db2.gz UXCDPKWGCXFOOG-UHFFFAOYSA-N 1 0 308.425 4.529 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH2+]C(C)(C)c1ccccc1F ZINC000429257406 338075099 /nfs/dbraw/zinc/07/50/99/338075099.db2.gz RJYLNZGSCGPIQB-UHFFFAOYSA-N 1 0 310.416 4.652 20 30 DJEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc2cc(OC)ccc2c1 ZINC000430722398 338112401 /nfs/dbraw/zinc/11/24/01/338112401.db2.gz GEBSGHJJDNQQCZ-LJQANCHMSA-N 1 0 308.425 4.583 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000430755180 338113755 /nfs/dbraw/zinc/11/37/55/338113755.db2.gz POVDREITTNVQQN-CQSZACIVSA-N 1 0 306.862 4.550 20 30 DJEDRO N#CCCC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000432428451 338156206 /nfs/dbraw/zinc/15/62/06/338156206.db2.gz LFIQWTWLVHVVRD-UHFFFAOYSA-N 1 0 310.363 4.625 20 30 DJEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433017962 338176481 /nfs/dbraw/zinc/17/64/81/338176481.db2.gz DOVFGZUDKBDXRH-HOJAQTOUSA-N 1 0 314.473 4.606 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000433020855 338176585 /nfs/dbraw/zinc/17/65/85/338176585.db2.gz UVPGWXHOPCVEQB-HXUWFJFHSA-N 1 0 322.839 4.716 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000433024871 338176865 /nfs/dbraw/zinc/17/68/65/338176865.db2.gz ZNCNQSSNYFWQSD-SFHVURJKSA-N 1 0 314.379 4.532 20 30 DJEDRO Cc1ccc(C)c(OCC[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433027358 338177034 /nfs/dbraw/zinc/17/70/34/338177034.db2.gz KIXYHJRSKVNHFR-FQEVSTJZSA-N 1 0 322.452 4.707 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000433025723 338177050 /nfs/dbraw/zinc/17/70/50/338177050.db2.gz AXDMMZSVRAEPKV-NVXWUHKLSA-N 1 0 306.400 4.837 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000435729956 338246569 /nfs/dbraw/zinc/24/65/69/338246569.db2.gz CBCKXFCCMMFKQJ-YNWKUBOOSA-N 1 0 313.485 4.530 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000436294696 338267023 /nfs/dbraw/zinc/26/70/23/338267023.db2.gz GKITXNGYXNHKSG-QINHECLXSA-N 1 0 313.441 4.681 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000436300590 338267579 /nfs/dbraw/zinc/26/75/79/338267579.db2.gz JYLNKOYRHOYGEK-XUWXXGDYSA-N 1 0 301.455 4.533 20 30 DJEDRO CC[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000436303560 338267762 /nfs/dbraw/zinc/26/77/62/338267762.db2.gz CMXYTIXQGJYFHM-IHPCNDPISA-N 1 0 308.400 4.684 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000436308816 338268250 /nfs/dbraw/zinc/26/82/50/338268250.db2.gz NNNLLBXMYSANHL-MBOZVWFJSA-N 1 0 308.400 4.684 20 30 DJEDRO N#Cc1ccc(C[NH+]2CCC(c3ccsc3)CC2)c(Cl)c1 ZINC000439423215 338368970 /nfs/dbraw/zinc/36/89/70/338368970.db2.gz OVURUUNFTUYETE-UHFFFAOYSA-N 1 0 316.857 4.653 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCCC2)c(Cl)c1 ZINC000439451730 338369982 /nfs/dbraw/zinc/36/99/82/338369982.db2.gz LOHCOEMGPRRFEB-UHFFFAOYSA-N 1 0 310.828 4.771 20 30 DJEDRO COc1cc(C[NH2+][C@H](c2ccccc2C)C(C)(C)C)ccc1C#N ZINC000440615448 338392570 /nfs/dbraw/zinc/39/25/70/338392570.db2.gz HRZSOJKPYCVWLH-HXUWFJFHSA-N 1 0 322.452 4.752 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000442856997 338435249 /nfs/dbraw/zinc/43/52/49/338435249.db2.gz OYKIOIMNFJKKMG-NNZPWHBESA-N 1 0 322.905 4.813 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H](c2cccs2)C2CCCC2)CC1 ZINC000442863354 338435871 /nfs/dbraw/zinc/43/58/71/338435871.db2.gz CMMSUSGUOGWKKY-JMLCCBQJSA-N 1 0 302.487 4.899 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCC(c3ccc(F)cc3)CC2)C1 ZINC000446758133 338535194 /nfs/dbraw/zinc/53/51/94/338535194.db2.gz GDSGPJFXGIVWEC-MTYUVTTFSA-N 1 0 300.421 4.524 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447511185 338553314 /nfs/dbraw/zinc/55/33/14/338553314.db2.gz SFNSQUXFQFXYNM-SGTLLEGYSA-N 1 0 300.352 4.638 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 ZINC000447528778 338554343 /nfs/dbraw/zinc/55/43/43/338554343.db2.gz ILMVDIVQKMPNLN-HXUWFJFHSA-N 1 0 308.425 4.586 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000447533490 338554756 /nfs/dbraw/zinc/55/47/56/338554756.db2.gz XTGJCLNYZXUZMK-NRFANRHFSA-N 1 0 300.405 4.952 20 30 DJEDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447584119 338559193 /nfs/dbraw/zinc/55/91/93/338559193.db2.gz DXEMOXCLGBVICG-KURKYZTESA-N 1 0 302.487 4.663 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000447592960 338560498 /nfs/dbraw/zinc/56/04/98/338560498.db2.gz OYZNZWIZUVVYCK-RBUKOAKNSA-N 1 0 324.399 4.652 20 30 DJEDRO CC1(C#N)CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000449064748 338589645 /nfs/dbraw/zinc/58/96/45/338589645.db2.gz WMWPLSALFNLBNL-UHFFFAOYSA-N 1 0 311.256 4.598 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000449067762 338590162 /nfs/dbraw/zinc/59/01/62/338590162.db2.gz OBHCCMHNNQRCBP-JQRITLKVSA-N 1 0 310.363 4.828 20 30 DJEDRO CC[C@@H](CSc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449197017 338601665 /nfs/dbraw/zinc/60/16/65/338601665.db2.gz YDIYOXICRGDGRT-HJOIGYKYSA-N 1 0 302.487 4.619 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccccc1 ZINC000449198813 338601752 /nfs/dbraw/zinc/60/17/52/338601752.db2.gz DMBCGLZYKJCFQW-HXUWFJFHSA-N 1 0 309.457 4.795 20 30 DJEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449233196 338604852 /nfs/dbraw/zinc/60/48/52/338604852.db2.gz XUUAGBDERPNAFU-BZOOQXSSSA-N 1 0 324.390 4.698 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000449240020 338605798 /nfs/dbraw/zinc/60/57/98/338605798.db2.gz XQFZQYBLOQCPQE-KFKAGJAMSA-N 1 0 305.437 4.770 20 30 DJEDRO COCCCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449291761 338610127 /nfs/dbraw/zinc/61/01/27/338610127.db2.gz AETZEAIQICPQCY-GPJFCIFZSA-N 1 0 314.473 4.606 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000449445189 338624538 /nfs/dbraw/zinc/62/45/38/338624538.db2.gz HJOZGLZGEUOIKM-RUGDWHBFSA-N 1 0 302.849 4.648 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449445877 338624801 /nfs/dbraw/zinc/62/48/01/338624801.db2.gz MMOFXAFOFZDXNT-SESVDKBCSA-N 1 0 304.437 4.642 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000453182836 338803882 /nfs/dbraw/zinc/80/38/82/338803882.db2.gz XTLTWFXHQDUVIS-BLLLJJGKSA-N 1 0 323.362 4.787 20 30 DJEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000453248951 338814060 /nfs/dbraw/zinc/81/40/60/338814060.db2.gz XXIMHPLODBYHJW-NQIIRXRSSA-N 1 0 321.468 4.818 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2cc(Cl)ccc2o1 ZINC000453285676 338818674 /nfs/dbraw/zinc/81/86/74/338818674.db2.gz CQCBSJNHWPXKGV-XUJVJEKNSA-N 1 0 302.805 4.819 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(c1ccccc1)c1ccccc1 ZINC000453285596 338818772 /nfs/dbraw/zinc/81/87/72/338818772.db2.gz BWZCAIFOAYGQAD-LQWHRVPQSA-N 1 0 318.464 4.879 20 30 DJEDRO C=CCC[NH2+][C@H](c1ccccc1Cl)c1ccccc1OC ZINC000462234570 339074791 /nfs/dbraw/zinc/07/47/91/339074791.db2.gz HAXZKGGDNDWGPC-GOSISDBHSA-N 1 0 301.817 4.604 20 30 DJEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)Sc2ccccc2)c1 ZINC000462743885 339086399 /nfs/dbraw/zinc/08/63/99/339086399.db2.gz UONXQIRFNBOEPW-MRXNPFEDSA-N 1 0 313.466 4.522 20 30 DJEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101165 339105815 /nfs/dbraw/zinc/10/58/15/339105815.db2.gz CWUYSFBVLYNCGP-MYGLTJDJSA-N 1 0 316.448 4.562 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000463247107 339111813 /nfs/dbraw/zinc/11/18/13/339111813.db2.gz UWSANVYQVLVENJ-CCKFTAQKSA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000463278892 339112964 /nfs/dbraw/zinc/11/29/64/339112964.db2.gz DTAWOHDRSAKKJO-RXVVDRJESA-N 1 0 318.464 4.881 20 30 DJEDRO CCCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(OC)cc1 ZINC000463280637 339113135 /nfs/dbraw/zinc/11/31/35/339113135.db2.gz FEXQGEMZOZUAEP-AYBZRNKSSA-N 1 0 300.446 4.598 20 30 DJEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC000463298600 339114121 /nfs/dbraw/zinc/11/41/21/339114121.db2.gz DOMKWULITBTEHZ-XLIONFOSSA-N 1 0 320.436 4.534 20 30 DJEDRO C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000464450500 339142452 /nfs/dbraw/zinc/14/24/52/339142452.db2.gz WNVSEZWFLRTUKV-MRXNPFEDSA-N 1 0 314.473 4.589 20 30 DJEDRO COc1ccc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000466739459 339215187 /nfs/dbraw/zinc/21/51/87/339215187.db2.gz LXOBJAWDOFNDGN-MRXNPFEDSA-N 1 0 320.436 4.507 20 30 DJEDRO C=CCC[N@@H+](C)[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000467298318 339230323 /nfs/dbraw/zinc/23/03/23/339230323.db2.gz MZQMYZNTMPLZRQ-ZDUSSCGKSA-N 1 0 304.821 4.872 20 30 DJEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000467421565 339237825 /nfs/dbraw/zinc/23/78/25/339237825.db2.gz YGKOGYAAQBFDOA-DJIMGWMZSA-N 1 0 308.400 4.603 20 30 DJEDRO CCSc1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467432986 339238171 /nfs/dbraw/zinc/23/81/71/339238171.db2.gz ODJLRSAEAQSHKE-OAHLLOKOSA-N 1 0 310.466 4.564 20 30 DJEDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467449782 339239470 /nfs/dbraw/zinc/23/94/70/339239470.db2.gz KWXGZNNDZCOCLB-OLZOCXBDSA-N 1 0 314.429 4.831 20 30 DJEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CCCCC#N)CC1 ZINC000470868627 339329626 /nfs/dbraw/zinc/32/96/26/339329626.db2.gz OOZUYJYSLFLFEJ-UHFFFAOYSA-N 1 0 304.865 4.777 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583831 339348023 /nfs/dbraw/zinc/34/80/23/339348023.db2.gz BWMOQNIWKODGMY-MDASCCDHSA-N 1 0 310.828 4.711 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471611827 339349518 /nfs/dbraw/zinc/34/95/18/339349518.db2.gz RKHIBOGBCYEGGW-KCPJHIHWSA-N 1 0 311.256 4.596 20 30 DJEDRO CCSc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000472069978 339362213 /nfs/dbraw/zinc/36/22/13/339362213.db2.gz YKTOTKIRYYHJDU-ZDUSSCGKSA-N 1 0 314.429 4.660 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000472428203 339371601 /nfs/dbraw/zinc/37/16/01/339371601.db2.gz FUMBWYXQCWUMFF-CQSZACIVSA-N 1 0 322.855 4.816 20 30 DJEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@H](C)c1ccccc1OC ZINC000472448393 339372096 /nfs/dbraw/zinc/37/20/96/339372096.db2.gz HLHBYJAGKQBNQK-MRXNPFEDSA-N 1 0 302.462 4.798 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000472453247 339372257 /nfs/dbraw/zinc/37/22/57/339372257.db2.gz YZMZJPKDYWXNHG-UHFFFAOYSA-N 1 0 324.390 5.000 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474473150 339416270 /nfs/dbraw/zinc/41/62/70/339416270.db2.gz PULXJAJIYAPUBI-TUKIKUTGSA-N 1 0 316.857 4.555 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000475516167 339453692 /nfs/dbraw/zinc/45/36/92/339453692.db2.gz JRMYEWTXJXNVBC-IBGZPJMESA-N 1 0 311.400 4.558 20 30 DJEDRO C=C(C)[C@H]([NH2+]C[C@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417806 339533962 /nfs/dbraw/zinc/53/39/62/339533962.db2.gz GFODBTOPUOSACV-KUHUBIRLSA-N 1 0 323.427 4.624 20 30 DJEDRO COCCCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000479501014 339538257 /nfs/dbraw/zinc/53/82/57/339538257.db2.gz WFOGTXDPAQRFIS-DYESRHJHSA-N 1 0 322.452 4.767 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000480681901 339583089 /nfs/dbraw/zinc/58/30/89/339583089.db2.gz NKDYCKVVXNPFFX-ORAYPTAESA-N 1 0 317.379 4.941 20 30 DJEDRO CCOc1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481654197 339608773 /nfs/dbraw/zinc/60/87/73/339608773.db2.gz CPGXDNUSTXEDDI-FQEVSTJZSA-N 1 0 320.436 4.514 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481812162 339614383 /nfs/dbraw/zinc/61/43/83/339614383.db2.gz DBOYPLPPPGUPNN-UHFFFAOYSA-N 1 0 304.865 4.849 20 30 DJEDRO N#Cc1csc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000482516754 339634474 /nfs/dbraw/zinc/63/44/74/339634474.db2.gz YPSCDLLOJKFODT-UHFFFAOYSA-N 1 0 316.857 4.653 20 30 DJEDRO C=CCCCCC[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482887403 339645910 /nfs/dbraw/zinc/64/59/10/339645910.db2.gz LDNKFQUMLKJHBS-UHFFFAOYSA-N 1 0 311.473 4.728 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483668867 339671422 /nfs/dbraw/zinc/67/14/22/339671422.db2.gz LVYOBBQPOLKFRQ-DZGCQCFKSA-N 1 0 317.408 4.580 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000483830430 339675501 /nfs/dbraw/zinc/67/55/01/339675501.db2.gz OIGLBHPAHJBMPD-JOCHJYFZSA-N 1 0 318.464 4.829 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000484070716 339680410 /nfs/dbraw/zinc/68/04/10/339680410.db2.gz SUVKJQBDZOSKFI-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1 ZINC000495004899 339969869 /nfs/dbraw/zinc/96/98/69/339969869.db2.gz NAQWUTWDQKQMOV-WBVHZDCISA-N 1 0 306.400 4.815 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(F)c(F)c1 ZINC000499633605 340041726 /nfs/dbraw/zinc/04/17/26/340041726.db2.gz HGVJAWVCISRVMX-FQEVSTJZSA-N 1 0 324.374 4.920 20 30 DJEDRO Cc1ccccc1[C@]1(F)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000502953183 340117513 /nfs/dbraw/zinc/11/75/13/340117513.db2.gz PQFSUHVSLLTFTA-IBGZPJMESA-N 1 0 302.437 4.586 20 30 DJEDRO C[C@H]1C[C@]1([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000503412475 340127740 /nfs/dbraw/zinc/12/77/40/340127740.db2.gz VCPLWZWTPIMYCE-KBXCAEBGSA-N 1 0 304.865 4.885 20 30 DJEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)cc1 ZINC000503550675 340130233 /nfs/dbraw/zinc/13/02/33/340130233.db2.gz IKCGWWFWGVVKGC-UHFFFAOYSA-N 1 0 316.379 4.654 20 30 DJEDRO CCc1oc2ccccc2c1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000506126572 340186226 /nfs/dbraw/zinc/18/62/26/340186226.db2.gz UABUXXXONPQZHJ-UHFFFAOYSA-N 1 0 310.422 4.560 20 30 DJEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)C1CCCCCC1 ZINC000506140991 340186589 /nfs/dbraw/zinc/18/65/89/340186589.db2.gz NBEMENJSBXWJES-UHFFFAOYSA-N 1 0 300.446 4.524 20 30 DJEDRO CC[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1C ZINC000507112416 340207758 /nfs/dbraw/zinc/20/77/58/340207758.db2.gz VHSYFSNBWZSDFW-UHFFFAOYSA-N 1 0 322.452 4.700 20 30 DJEDRO CC[N@H+](Cc1ccccc1Br)CC(C)(C)CCC#N ZINC000507120122 340208271 /nfs/dbraw/zinc/20/82/71/340208271.db2.gz KBBXPIQHDCGTPJ-UHFFFAOYSA-N 1 0 323.278 4.601 20 30 DJEDRO Cc1ccc([C@H](C)[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000507195716 340212568 /nfs/dbraw/zinc/21/25/68/340212568.db2.gz VLFAQBGZWGJXBG-SFHVURJKSA-N 1 0 322.452 4.871 20 30 DJEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507205358 340213308 /nfs/dbraw/zinc/21/33/08/340213308.db2.gz VZBONPUHWRESOA-CYBMUJFWSA-N 1 0 318.342 4.770 20 30 DJEDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc(C#N)cc1F ZINC000507305931 340216888 /nfs/dbraw/zinc/21/68/88/340216888.db2.gz PJNOQYDINCYDPR-UHFFFAOYSA-N 1 0 318.395 4.525 20 30 DJEDRO CCOc1ccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000507689875 340228314 /nfs/dbraw/zinc/22/83/14/340228314.db2.gz UZOHVRDJHBHASU-MRXNPFEDSA-N 1 0 308.425 4.540 20 30 DJEDRO Cc1ccc(-c2ccc(C[NH+]3CCC(C)(C#N)CC3)s2)cc1 ZINC000507711328 340229129 /nfs/dbraw/zinc/22/91/29/340229129.db2.gz XRDBFOZUDXFLIP-UHFFFAOYSA-N 1 0 310.466 4.849 20 30 DJEDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000508077573 340238855 /nfs/dbraw/zinc/23/88/55/340238855.db2.gz IJFPLBVUAURGJN-QFIPXVFZSA-N 1 0 318.464 4.998 20 30 DJEDRO CC(C)(CCC#N)C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000508727663 340251652 /nfs/dbraw/zinc/25/16/52/340251652.db2.gz UBFGYHFSZFJMMG-UHFFFAOYSA-N 1 0 316.464 4.943 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C#N)cc1F ZINC000509023999 340258662 /nfs/dbraw/zinc/25/86/62/340258662.db2.gz ZRDQBIWXOLIPMP-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO Cc1ccc2c(C3=CC[N@H+](CC(C)(C)CCC#N)CC3)c[nH]c2c1 ZINC000509547286 340273029 /nfs/dbraw/zinc/27/30/29/340273029.db2.gz XXCSSXOHLHWQAD-UHFFFAOYSA-N 1 0 321.468 4.895 20 30 DJEDRO C=CC[N@H+](Cc1cccs1)Cc1cc(C)nc2ccccc12 ZINC000510247429 340294112 /nfs/dbraw/zinc/29/41/12/340294112.db2.gz XNFPMPFTVBPXDQ-UHFFFAOYSA-N 1 0 308.450 4.793 20 30 DJEDRO CSc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000511116058 340321332 /nfs/dbraw/zinc/32/13/32/340321332.db2.gz PQHWNUSFUVRNSJ-RTBURBONSA-N 1 0 322.477 4.680 20 30 DJEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000511471671 340327877 /nfs/dbraw/zinc/32/78/77/340327877.db2.gz JOQADPWMNMGVTO-FQEVSTJZSA-N 1 0 312.457 4.524 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511813365 340338983 /nfs/dbraw/zinc/33/89/83/340338983.db2.gz FEZHYBIUYGPUBB-HZPDHXFCSA-N 1 0 324.390 4.871 20 30 DJEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)c1cc2ccccc2o1 ZINC000511894093 340342052 /nfs/dbraw/zinc/34/20/52/340342052.db2.gz QLQCMWHUOZSHHK-CYBMUJFWSA-N 1 0 310.422 4.949 20 30 DJEDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512621501 340369613 /nfs/dbraw/zinc/36/96/13/340369613.db2.gz YTVGKYZTLYIQOR-UONOGXRCSA-N 1 0 312.388 4.508 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccc(C#N)cc1F ZINC000512631388 340370017 /nfs/dbraw/zinc/37/00/17/340370017.db2.gz QMXDYAFJXLODEN-ZJUUUORDSA-N 1 0 308.809 4.824 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512642674 340370708 /nfs/dbraw/zinc/37/07/08/340370708.db2.gz RNRJLUDXXNNGQV-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO C[C@H]([NH2+]CCCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512654251 340371266 /nfs/dbraw/zinc/37/12/66/340371266.db2.gz KTVRGXIILFBYLC-AWEZNQCLSA-N 1 0 314.429 4.530 20 30 DJEDRO CCCc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000512808535 340378534 /nfs/dbraw/zinc/37/85/34/340378534.db2.gz CWQBZMNKXSOHIJ-NRFANRHFSA-N 1 0 306.453 4.998 20 30 DJEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000174811648 340396547 /nfs/dbraw/zinc/39/65/47/340396547.db2.gz TUBWLWNPGHZUIV-SFHVURJKSA-N 1 0 300.446 4.552 20 30 DJEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819661 340396626 /nfs/dbraw/zinc/39/66/26/340396626.db2.gz ZVUSMHWZZPHPQN-YOEHRIQHSA-N 1 0 300.446 4.697 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000178512018 340450212 /nfs/dbraw/zinc/45/02/12/340450212.db2.gz YLZIWQWNZGJEDT-UHFFFAOYSA-N 1 0 304.437 4.657 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 ZINC000521694914 340529113 /nfs/dbraw/zinc/52/91/13/340529113.db2.gz ASBKZONFAMWYQY-UXHICEINSA-N 1 0 324.374 4.731 20 30 DJEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1-c1ccccc1 ZINC000189504735 340536840 /nfs/dbraw/zinc/53/68/40/340536840.db2.gz SXNBQQXEJTXOGV-UHFFFAOYSA-N 1 0 318.445 4.885 20 30 DJEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000191006090 340549036 /nfs/dbraw/zinc/54/90/36/340549036.db2.gz IPSCQAZLKUPJRK-ZDUSSCGKSA-N 1 0 318.342 4.736 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000192147138 340563016 /nfs/dbraw/zinc/56/30/16/340563016.db2.gz INMLABRGXCJSNY-JTQLQIEISA-N 1 0 323.198 4.855 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000192149113 340563029 /nfs/dbraw/zinc/56/30/29/340563029.db2.gz PQENTQRUNUBSTI-QGZVFWFLSA-N 1 0 302.780 4.592 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000522832939 340607597 /nfs/dbraw/zinc/60/75/97/340607597.db2.gz AOEGEEQGYMPSOU-INIZCTEOSA-N 1 0 322.427 4.713 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000229683730 340614729 /nfs/dbraw/zinc/61/47/29/340614729.db2.gz XLKBYICHSCLLNM-AWEZNQCLSA-N 1 0 308.878 4.796 20 30 DJEDRO Cc1nc(-c2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)cs1 ZINC000525190130 340694209 /nfs/dbraw/zinc/69/42/09/340694209.db2.gz NXQJAEQVJSCUEF-UHFFFAOYSA-N 1 0 313.470 4.538 20 30 DJEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000537947332 340792560 /nfs/dbraw/zinc/79/25/60/340792560.db2.gz QXHCWCAMPQNOFA-BEFAXECRSA-N 1 0 323.396 4.599 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000538235300 340814491 /nfs/dbraw/zinc/81/44/91/340814491.db2.gz KUSGLGHLRWYVQM-HXUWFJFHSA-N 1 0 322.452 4.752 20 30 DJEDRO CCC(CC)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccs1 ZINC000538393200 340820331 /nfs/dbraw/zinc/82/03/31/340820331.db2.gz OSVVPYZOIBDEMQ-MRXNPFEDSA-N 1 0 304.484 4.948 20 30 DJEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc2)cs1 ZINC000538512196 340830322 /nfs/dbraw/zinc/83/03/22/340830322.db2.gz GNUKWZAXDRWJSV-ZDUSSCGKSA-N 1 0 313.470 4.709 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000539071295 340870509 /nfs/dbraw/zinc/87/05/09/340870509.db2.gz INPFPBFNUMSGMG-UONOGXRCSA-N 1 0 300.471 4.658 20 30 DJEDRO Cc1ccsc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000539104369 340873560 /nfs/dbraw/zinc/87/35/60/340873560.db2.gz FZPIIWIAZSDQBT-UHFFFAOYSA-N 1 0 318.445 4.885 20 30 DJEDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000540148406 340917275 /nfs/dbraw/zinc/91/72/75/340917275.db2.gz MXXDXJXLWKURAC-APWZRJJASA-N 1 0 308.425 4.699 20 30 DJEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000540191177 340922568 /nfs/dbraw/zinc/92/25/68/340922568.db2.gz LYZHQBXISZIXPA-HZPDHXFCSA-N 1 0 321.892 4.579 20 30 DJEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000540297215 340925663 /nfs/dbraw/zinc/92/56/63/340925663.db2.gz IRIWWXZRJPFHEC-AWEZNQCLSA-N 1 0 321.411 4.604 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000540429583 340930919 /nfs/dbraw/zinc/93/09/19/340930919.db2.gz FMLUXHPRRCKGHI-SFHVURJKSA-N 1 0 302.437 4.977 20 30 DJEDRO CC(C)Cc1ccc([C@@H]([NH2+]CCCSCC#N)C2CC2)cc1 ZINC000540590235 340936697 /nfs/dbraw/zinc/93/66/97/340936697.db2.gz XSJHTOZDMDQVRC-LJQANCHMSA-N 1 0 316.514 4.573 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000540608031 340938541 /nfs/dbraw/zinc/93/85/41/340938541.db2.gz WKWOXWPTYQINAF-QWHCGFSZSA-N 1 0 313.388 4.692 20 30 DJEDRO N#CCCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000542310278 341003961 /nfs/dbraw/zinc/00/39/61/341003961.db2.gz IWWSQFVCXHKSHW-UHFFFAOYSA-N 1 0 309.196 4.647 20 30 DJEDRO CCc1ccc(-c2ccc(C[NH+]3CCC(CC#N)CC3)o2)cc1 ZINC000542854963 341023661 /nfs/dbraw/zinc/02/36/61/341023661.db2.gz XMWJHLYQZUIOOX-UHFFFAOYSA-N 1 0 308.425 4.635 20 30 DJEDRO CCCOc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000130609816 341032710 /nfs/dbraw/zinc/03/27/10/341032710.db2.gz LPLRCAXBESPUFP-HXUWFJFHSA-N 1 0 308.425 4.610 20 30 DJEDRO CCCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130611655 341032814 /nfs/dbraw/zinc/03/28/14/341032814.db2.gz ZTJSPTYQMSKAMI-HXUWFJFHSA-N 1 0 308.425 4.610 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543139275 341033812 /nfs/dbraw/zinc/03/38/12/341033812.db2.gz PVOIDAYZLKMYCL-IBGZPJMESA-N 1 0 312.844 4.893 20 30 DJEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000543427378 341043981 /nfs/dbraw/zinc/04/39/81/341043981.db2.gz ZMZUOWBVSZZTMZ-HZPDHXFCSA-N 1 0 310.363 4.625 20 30 DJEDRO N#CCC1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000543783542 341058520 /nfs/dbraw/zinc/05/85/20/341058520.db2.gz XZIAIQKYGRXFQB-UHFFFAOYSA-N 1 0 306.409 4.605 20 30 DJEDRO C[N@H+](Cc1csc2ccccc12)Cc1ccc(CC#N)cc1 ZINC000544070188 341069121 /nfs/dbraw/zinc/06/91/21/341069121.db2.gz JPTDCSVMCCAKDM-UHFFFAOYSA-N 1 0 306.434 4.599 20 30 DJEDRO N#CCc1ccc(C[N@H+](Cc2ccoc2)C2CCCCC2)cc1 ZINC000544145810 341072186 /nfs/dbraw/zinc/07/21/86/341072186.db2.gz NBZCYUXKRIDLKL-UHFFFAOYSA-N 1 0 308.425 4.681 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000544448280 341082574 /nfs/dbraw/zinc/08/25/74/341082574.db2.gz RPNOLRNNUZDYOK-MRXNPFEDSA-N 1 0 314.454 4.505 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000544896406 341098155 /nfs/dbraw/zinc/09/81/55/341098155.db2.gz DFQUDKNJAYXEKU-GJZGRUSLSA-N 1 0 322.427 4.988 20 30 DJEDRO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000545251245 341117327 /nfs/dbraw/zinc/11/73/27/341117327.db2.gz JKQROCSVPYAAJC-UHFFFAOYSA-N 1 0 323.248 4.705 20 30 DJEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000545251425 341117474 /nfs/dbraw/zinc/11/74/74/341117474.db2.gz APNNCNJQOBLMSZ-UHFFFAOYSA-N 1 0 317.219 4.644 20 30 DJEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000545875134 341143641 /nfs/dbraw/zinc/14/36/41/341143641.db2.gz GXYNUTPZJNBUKH-AWEZNQCLSA-N 1 0 304.846 4.850 20 30 DJEDRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000074334586 341143921 /nfs/dbraw/zinc/14/39/21/341143921.db2.gz IGEZCNCEOIBCIB-KRWDZBQOSA-N 1 0 312.416 4.998 20 30 DJEDRO COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](C)c2cccc(C)c2)cc1 ZINC000546308618 341162514 /nfs/dbraw/zinc/16/25/14/341162514.db2.gz NKKRVHWSUXXFDS-UTKZUKDTSA-N 1 0 322.452 4.742 20 30 DJEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000546685939 341178686 /nfs/dbraw/zinc/17/86/86/341178686.db2.gz FOXASCBITSQWRK-STQMWFEESA-N 1 0 321.873 4.656 20 30 DJEDRO COc1ccc2cc(C[NH2+][C@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000075755710 341182006 /nfs/dbraw/zinc/18/20/06/341182006.db2.gz JZFXQMKBVBQFQW-OAHLLOKOSA-N 1 0 316.404 4.571 20 30 DJEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000236986855 341205434 /nfs/dbraw/zinc/20/54/34/341205434.db2.gz ZSLCWXAGKGWMIE-HXUWFJFHSA-N 1 0 322.452 4.834 20 30 DJEDRO COc1cccc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000547751020 341230345 /nfs/dbraw/zinc/23/03/45/341230345.db2.gz GMMQMCMCLUUXMK-INIZCTEOSA-N 1 0 320.436 4.507 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(Cl)cc1 ZINC000135101925 341230996 /nfs/dbraw/zinc/23/09/96/341230996.db2.gz DDONRDZZFZOYCL-CQSZACIVSA-N 1 0 312.844 4.992 20 30 DJEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)c1cccc(O)c1 ZINC000135242985 341234198 /nfs/dbraw/zinc/23/41/98/341234198.db2.gz VLLSFIUCIDIHHP-MRXNPFEDSA-N 1 0 322.452 4.776 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000135674235 341243791 /nfs/dbraw/zinc/24/37/91/341243791.db2.gz JNLBJZQEEDGILM-MRXNPFEDSA-N 1 0 304.846 4.760 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000135688181 341244178 /nfs/dbraw/zinc/24/41/78/341244178.db2.gz HXSDPONSVAGUHX-MRXNPFEDSA-N 1 0 302.418 4.636 20 30 DJEDRO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c(F)c1 ZINC000548934798 341281501 /nfs/dbraw/zinc/28/15/01/341281501.db2.gz SSMCWIWNUNAYSZ-ACDBMABISA-N 1 0 320.411 4.608 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535957 341296855 /nfs/dbraw/zinc/29/68/55/341296855.db2.gz MUVUCOLQOPJPNF-BQFCYCMXSA-N 1 0 306.409 4.822 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865793 341305438 /nfs/dbraw/zinc/30/54/38/341305438.db2.gz DCQGZJGCMUQVBT-ZFWWWQNUSA-N 1 0 322.374 4.577 20 30 DJEDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000550832066 341323989 /nfs/dbraw/zinc/32/39/89/341323989.db2.gz AOIGLGSDTDTKIV-WIYYLYMNSA-N 1 0 306.453 4.951 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000551175048 341333010 /nfs/dbraw/zinc/33/30/10/341333010.db2.gz FRYHVRLDCIXHGX-MDOVXXIYSA-N 1 0 313.416 4.611 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000551241882 341335222 /nfs/dbraw/zinc/33/52/22/341335222.db2.gz XBDLMAXUTCTRIF-GFCCVEGCSA-N 1 0 313.388 4.550 20 30 DJEDRO C=CC[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000551556770 341345109 /nfs/dbraw/zinc/34/51/09/341345109.db2.gz VVTBQFSEDZKMBY-UHFFFAOYSA-N 1 0 304.846 4.614 20 30 DJEDRO C=C1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000551557322 341345281 /nfs/dbraw/zinc/34/52/81/341345281.db2.gz DACOCFNIQNGXSB-UHFFFAOYSA-N 1 0 304.846 4.616 20 30 DJEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000551561371 341345423 /nfs/dbraw/zinc/34/54/23/341345423.db2.gz ZCQIWGKZQFZXGF-UHFFFAOYSA-N 1 0 310.828 4.743 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000551802868 341352203 /nfs/dbraw/zinc/35/22/03/341352203.db2.gz VYUAFZNAGAYXGX-FQEVSTJZSA-N 1 0 302.421 4.523 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccco1 ZINC000552045316 341364604 /nfs/dbraw/zinc/36/46/04/341364604.db2.gz CTZDGFCUBXYEMS-HNNXBMFYSA-N 1 0 310.397 4.569 20 30 DJEDRO C=CCC[C@H](NCc1cccc(OC(C)(C)C)n1)c1ccco1 ZINC000552275337 341383096 /nfs/dbraw/zinc/38/30/96/341383096.db2.gz SBCQRVGKKGMMAP-INIZCTEOSA-N 1 0 314.429 4.649 20 30 DJEDRO C[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000552311977 341385741 /nfs/dbraw/zinc/38/57/41/341385741.db2.gz KNOBEBUSEANXKJ-UZLBHIALSA-N 1 0 310.416 4.954 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccc(C)o2)C2CCC2)cc1 ZINC000552323237 341386391 /nfs/dbraw/zinc/38/63/91/341386391.db2.gz AXGNZLZMLIADHC-FQEVSTJZSA-N 1 0 311.425 4.784 20 30 DJEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[C@@H](C#N)C3)oc21 ZINC000248826199 341387841 /nfs/dbraw/zinc/38/78/41/341387841.db2.gz LYIVWRVSICIOGO-LZWOXQAQSA-N 1 0 312.413 4.564 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000249206439 341395343 /nfs/dbraw/zinc/39/53/43/341395343.db2.gz WCEVBJFKEQVECO-OAGGEKHMSA-N 1 0 310.363 4.742 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000088536497 341400365 /nfs/dbraw/zinc/40/03/65/341400365.db2.gz QIYXNTQIBGWQQR-NRFANRHFSA-N 1 0 316.379 4.577 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F ZINC000552969322 341411078 /nfs/dbraw/zinc/41/10/78/341411078.db2.gz MTOOFFHXIMHTNA-BLVKFPJESA-N 1 0 312.363 4.565 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000091400597 341425751 /nfs/dbraw/zinc/42/57/51/341425751.db2.gz QURFPDQXUZGQRI-SJLPKXTDSA-N 1 0 319.452 4.931 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000554065413 341442180 /nfs/dbraw/zinc/44/21/80/341442180.db2.gz XNRXYSBUXQSFLA-IBGZPJMESA-N 1 0 310.416 4.835 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000554074792 341442811 /nfs/dbraw/zinc/44/28/11/341442811.db2.gz GKIWKVKYSLQXGN-RDJZCZTQSA-N 1 0 304.865 4.896 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000554359576 341451012 /nfs/dbraw/zinc/45/10/12/341451012.db2.gz RKHABGZCYIURCF-LBPRGKRZSA-N 1 0 314.351 4.566 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CCC#N)CCCO2 ZINC000554363389 341451318 /nfs/dbraw/zinc/45/13/18/341451318.db2.gz LEIRHOJYJAESSL-SFHVURJKSA-N 1 0 314.473 4.943 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000554366396 341451482 /nfs/dbraw/zinc/45/14/82/341451482.db2.gz MXPGVHWPYXNBLM-GOSISDBHSA-N 1 0 302.437 4.977 20 30 DJEDRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000565850392 341540077 /nfs/dbraw/zinc/54/00/77/341540077.db2.gz LQCVBELZIYFLHC-YWZLYKJASA-N 1 0 320.436 4.685 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000154474553 341589821 /nfs/dbraw/zinc/58/98/21/341589821.db2.gz QCPBJNAODIOSNZ-GOSISDBHSA-N 1 0 314.429 4.780 20 30 DJEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000157744010 341644787 /nfs/dbraw/zinc/64/47/87/341644787.db2.gz UQMPAXRECYVUGT-UHFFFAOYSA-N 1 0 309.457 4.596 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000568156258 341654790 /nfs/dbraw/zinc/65/47/90/341654790.db2.gz OPQWZXCBNOQVRP-FQEVSTJZSA-N 1 0 316.404 4.862 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000568334031 341665832 /nfs/dbraw/zinc/66/58/32/341665832.db2.gz QIPWJWAMTQQWIZ-UXHICEINSA-N 1 0 304.437 4.923 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000576602168 341854822 /nfs/dbraw/zinc/85/48/22/341854822.db2.gz XOAVVJHSYBXGSW-ZFVVBOAOSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444623811 517317766 /nfs/dbraw/zinc/31/77/66/517317766.db2.gz KQUHYISLYPMXQC-UHFFFAOYSA-N 1 0 316.448 4.538 20 30 DJEDRO CC(C)([NH2+]Cc1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000267170234 519322862 /nfs/dbraw/zinc/32/28/62/519322862.db2.gz HUAIZUYZZCAXOK-UHFFFAOYSA-N 1 0 324.371 4.663 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000192737852 525629139 /nfs/dbraw/zinc/62/91/39/525629139.db2.gz BMZPTLYEXXSECS-SJCJKPOMSA-N 1 0 312.413 4.585 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973532 185137945 /nfs/dbraw/zinc/13/79/45/185137945.db2.gz SGLCAODVSBBAEX-OLZOCXBDSA-N 1 0 316.351 4.571 20 30 DJEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OC ZINC000057959013 334952980 /nfs/dbraw/zinc/95/29/80/334952980.db2.gz VFUFWRWXKVEWRB-MRXNPFEDSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccco1 ZINC000286026357 335031583 /nfs/dbraw/zinc/03/15/83/335031583.db2.gz IYLYEMPBNHNGHX-WSTZPKSXSA-N 1 0 311.425 4.797 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c(C)s1 ZINC000271941981 129982751 /nfs/dbraw/zinc/98/27/51/129982751.db2.gz OYDGGWCILWFXBG-VXGBXAGGSA-N 1 0 302.418 4.788 20 30 DJEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCSc4ccc(F)cc43)CC2)c1 ZINC000272310459 130019053 /nfs/dbraw/zinc/01/90/53/130019053.db2.gz TUAGPKPSNOYYHR-QGZVFWFLSA-N 1 0 324.424 4.513 20 30 DJEDRO CSc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272304344 130019231 /nfs/dbraw/zinc/01/92/31/130019231.db2.gz RYYWFTDYNJZKSB-AWEZNQCLSA-N 1 0 308.450 4.620 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000570553378 332772276 /nfs/dbraw/zinc/77/22/76/332772276.db2.gz LJMDYPMHMQESEF-IUODEOHRSA-N 1 0 319.836 4.785 20 30 DJEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556606053 331718743 /nfs/dbraw/zinc/71/87/43/331718743.db2.gz QUZHZSJTEIAZQE-DNVCBOLYSA-N 1 0 302.421 4.694 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2ccccc21 ZINC000557508059 331795877 /nfs/dbraw/zinc/79/58/77/331795877.db2.gz JFXTZHVDECMWDO-JOCHJYFZSA-N 1 0 312.416 4.879 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2ccccc21 ZINC000557508067 331795880 /nfs/dbraw/zinc/79/58/80/331795880.db2.gz JFXTZHVDECMWDO-QFIPXVFZSA-N 1 0 312.416 4.879 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OC(C)C)c1ccc(C#N)cc1 ZINC000584152616 331844623 /nfs/dbraw/zinc/84/46/23/331844623.db2.gz PJZLXWARSNYJCR-HXUWFJFHSA-N 1 0 322.452 4.895 20 30 DJEDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000558086530 331861763 /nfs/dbraw/zinc/86/17/63/331861763.db2.gz DRZFPAZHKBGBJV-HNNXBMFYSA-N 1 0 308.400 4.513 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000558239115 331886793 /nfs/dbraw/zinc/88/67/93/331886793.db2.gz ZIFWCKLHDVJKLQ-IAGOWNOFSA-N 1 0 304.865 4.896 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1Cl ZINC000409623633 332042139 /nfs/dbraw/zinc/04/21/39/332042139.db2.gz IHLGKHRZCQYJAH-UHFFFAOYSA-N 1 0 322.235 4.848 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664900 332092138 /nfs/dbraw/zinc/09/21/38/332092138.db2.gz QRFFMZJBYKCKPU-UXHICEINSA-N 1 0 308.425 4.781 20 30 DJEDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000090664653 332092173 /nfs/dbraw/zinc/09/21/73/332092173.db2.gz YQNCVZXYQULQOO-CJNGLKHVSA-N 1 0 313.470 4.710 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000090664558 332092226 /nfs/dbraw/zinc/09/22/26/332092226.db2.gz AAOUCDGCGCWRQJ-SCLBCKFNSA-N 1 0 300.352 4.660 20 30 DJEDRO CC[N@H+](Cc1ccc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000569507085 332112449 /nfs/dbraw/zinc/11/24/49/332112449.db2.gz GGARDRLFIJXNTH-KRWDZBQOSA-N 1 0 321.468 4.968 20 30 DJEDRO COc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2)ccc1C#N ZINC000569534803 332127684 /nfs/dbraw/zinc/12/76/84/332127684.db2.gz QVQOYOCUPWPIFK-OAHLLOKOSA-N 1 0 316.404 4.571 20 30 DJEDRO COc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)ccc1C#N ZINC000569534799 332127934 /nfs/dbraw/zinc/12/79/34/332127934.db2.gz QVQOYOCUPWPIFK-HNNXBMFYSA-N 1 0 316.404 4.571 20 30 DJEDRO CCOc1ccccc1C1=CC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000092644421 332137074 /nfs/dbraw/zinc/13/70/74/332137074.db2.gz NKRJMOFMEAQTLE-UHFFFAOYSA-N 1 0 312.457 4.504 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1F ZINC000584282326 332210510 /nfs/dbraw/zinc/21/05/10/332210510.db2.gz ZEWSEVNXWXLARP-LBPRGKRZSA-N 1 0 318.342 4.660 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3ccccc3n2)cc1 ZINC000584297413 332228077 /nfs/dbraw/zinc/22/80/77/332228077.db2.gz IVTPTEAPJPFBFC-MRXNPFEDSA-N 1 0 318.420 4.650 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426062806 335098957 /nfs/dbraw/zinc/09/89/57/335098957.db2.gz YFKWMKGLWJGPDI-KDOFPFPSSA-N 1 0 300.833 4.573 20 30 DJEDRO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000559882616 332288247 /nfs/dbraw/zinc/28/82/47/332288247.db2.gz PDAJDNQWTPMCSH-DCPHZVHLSA-N 1 0 308.400 4.542 20 30 DJEDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)ccc1C#N ZINC000560024327 332302798 /nfs/dbraw/zinc/30/27/98/332302798.db2.gz CZIJSTPOPWSNOC-UHFFFAOYSA-N 1 0 320.367 4.556 20 30 DJEDRO CC1(C)CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000560261534 332325167 /nfs/dbraw/zinc/32/51/67/332325167.db2.gz ZMXXMDIIYSGPCP-FQEVSTJZSA-N 1 0 316.448 4.950 20 30 DJEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(C)ccc1OC ZINC000560266713 332325471 /nfs/dbraw/zinc/32/54/71/332325471.db2.gz PRENGBQATYNASC-LJQANCHMSA-N 1 0 320.436 4.605 20 30 DJEDRO N#CCCC[C@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000560561143 332358585 /nfs/dbraw/zinc/35/85/85/332358585.db2.gz DZBARRCIIGSBNJ-YJJPMGAVSA-N 1 0 308.400 4.864 20 30 DJEDRO C[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000560563730 332361518 /nfs/dbraw/zinc/36/15/18/332361518.db2.gz FHBHHFRSBIVMMD-GHTZIAJQSA-N 1 0 306.453 4.890 20 30 DJEDRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237495122 332366938 /nfs/dbraw/zinc/36/69/38/332366938.db2.gz JDDGWIQDQYYOEZ-KRWDZBQOSA-N 1 0 308.425 4.528 20 30 DJEDRO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1CCC(C#N)CC1 ZINC000561782012 332496482 /nfs/dbraw/zinc/49/64/82/332496482.db2.gz KEWUODUKTKVIMW-PMTKGXAQSA-N 1 0 321.468 4.773 20 30 DJEDRO COc1ccc([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C(C)C)cc1 ZINC000562096867 332546098 /nfs/dbraw/zinc/54/60/98/332546098.db2.gz WYKHSYLHINDOCE-LEWJYISDSA-N 1 0 320.436 4.541 20 30 DJEDRO N#CCCCC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134855740 332611044 /nfs/dbraw/zinc/61/10/44/332611044.db2.gz DHHNYXOHKIYNSE-UHFFFAOYSA-N 1 0 308.878 4.590 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)c1ccc(F)c(F)c1 ZINC000570318521 332739695 /nfs/dbraw/zinc/73/96/95/332739695.db2.gz IJCCGELPDYUCQR-GOSISDBHSA-N 1 0 317.379 4.694 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)cc1F ZINC000570438660 332755226 /nfs/dbraw/zinc/75/52/26/332755226.db2.gz JHSZJJUKVVCCHH-GFCCVEGCSA-N 1 0 310.397 4.763 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(F)c(F)c1 ZINC000187372885 332966982 /nfs/dbraw/zinc/96/69/82/332966982.db2.gz SZRBYJCTKUPGJX-IBGZPJMESA-N 1 0 317.379 4.518 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)cc2)cc1 ZINC000378879898 333059451 /nfs/dbraw/zinc/05/94/51/333059451.db2.gz CXIGHMQGVDPFRN-MRXNPFEDSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccccc2OC)cc1 ZINC000378920752 333063599 /nfs/dbraw/zinc/06/35/99/333063599.db2.gz YJHCMLSQSDQOSC-LJQANCHMSA-N 1 0 311.425 4.501 20 30 DJEDRO C[C@@H](c1ccccc1)[N@H+](CCCCC#N)Cc1ccccc1O ZINC000176680848 333117794 /nfs/dbraw/zinc/11/77/94/333117794.db2.gz WVUHRFKUUFXPNQ-KRWDZBQOSA-N 1 0 308.425 4.649 20 30 DJEDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536879 333162626 /nfs/dbraw/zinc/16/26/26/333162626.db2.gz JJWPSEMHLUMAIC-DLBZAZTESA-N 1 0 308.425 4.618 20 30 DJEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536933 333162660 /nfs/dbraw/zinc/16/26/60/333162660.db2.gz JJWPSEMHLUMAIC-SJORKVTESA-N 1 0 308.425 4.618 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180538990 333162935 /nfs/dbraw/zinc/16/29/35/333162935.db2.gz VATIFZMHBUZXML-FOIQADDNSA-N 1 0 320.436 4.662 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430736445 335127590 /nfs/dbraw/zinc/12/75/90/335127590.db2.gz DNCKLMYQYWJEHV-JKSUJKDBSA-N 1 0 322.374 4.625 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430736069 335126926 /nfs/dbraw/zinc/12/69/26/335126926.db2.gz BXLDVDMTHMKOBA-CZUORRHYSA-N 1 0 323.267 4.913 20 30 DJEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000518782345 333197969 /nfs/dbraw/zinc/19/79/69/333197969.db2.gz UQCCWMFMDJTVSE-GFCCVEGCSA-N 1 0 319.235 4.758 20 30 DJEDRO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)c2ccccc21 ZINC000184923946 333202691 /nfs/dbraw/zinc/20/26/91/333202691.db2.gz LNHFRGWQYSBNNE-KGLIPLIRSA-N 1 0 311.816 4.587 20 30 DJEDRO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540708465 333340229 /nfs/dbraw/zinc/34/02/29/333340229.db2.gz WQMZIVXRZCLCEK-ZDUSSCGKSA-N 1 0 314.429 4.579 20 30 DJEDRO C=CCC[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462176275 333340709 /nfs/dbraw/zinc/34/07/09/333340709.db2.gz NYLMKHDTAOHLCE-SFHVURJKSA-N 1 0 319.420 4.942 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1cccc(O)c1Cl)c1ccccc1 ZINC000339407755 333523479 /nfs/dbraw/zinc/52/34/79/333523479.db2.gz MPBSYVRFTYQJRO-MRXNPFEDSA-N 1 0 314.816 4.570 20 30 DJEDRO N#CC1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411216443 333644361 /nfs/dbraw/zinc/64/43/61/333644361.db2.gz FLYMNAAETVZRIO-IBGZPJMESA-N 1 0 310.828 4.665 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000435664789 333809905 /nfs/dbraw/zinc/80/99/05/333809905.db2.gz NVGZRNUUDGLBBS-WQGACYEGSA-N 1 0 314.256 4.625 20 30 DJEDRO C[C@H](c1cccc(Br)c1)[NH+]1CCC(CCC#N)CC1 ZINC000571519097 333813642 /nfs/dbraw/zinc/81/36/42/333813642.db2.gz IRSCXPLYMMKMOA-CYBMUJFWSA-N 1 0 321.262 4.526 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(SCC(F)F)cc1 ZINC000414166591 333916283 /nfs/dbraw/zinc/91/62/83/333916283.db2.gz NVIASSGPYRYZPG-LBPRGKRZSA-N 1 0 312.429 4.634 20 30 DJEDRO C=C(C[NH2+][C@@H]1CCSc2ccc(OC)cc21)c1ccccc1 ZINC000343474102 335167807 /nfs/dbraw/zinc/16/78/07/335167807.db2.gz XHGOMAAPETXWGK-GOSISDBHSA-N 1 0 311.450 4.535 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000274629029 334064042 /nfs/dbraw/zinc/06/40/42/334064042.db2.gz OMLMQHMZOWETFJ-BXWFABGCSA-N 1 0 320.436 4.705 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000277780859 334090931 /nfs/dbraw/zinc/09/09/31/334090931.db2.gz RVEUBNNRLKWWSM-MRXNPFEDSA-N 1 0 313.470 4.542 20 30 DJEDRO N#CC1CCC(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000282191974 334132347 /nfs/dbraw/zinc/13/23/47/334132347.db2.gz GHJDTBBOQTZQAS-UHFFFAOYSA-N 1 0 302.849 4.506 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(-c2ccncc2)c1 ZINC000282325925 334133649 /nfs/dbraw/zinc/13/36/49/334133649.db2.gz NXLKVGUUASBLQW-AOCRQIFASA-N 1 0 319.452 4.729 20 30 DJEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Oc2cccnc2)cc1 ZINC000289375508 334164605 /nfs/dbraw/zinc/16/46/05/334164605.db2.gz IRABRDUVWJHXGH-MRXNPFEDSA-N 1 0 323.440 4.854 20 30 DJEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340430374 334198936 /nfs/dbraw/zinc/19/89/36/334198936.db2.gz GTZNVFXPBYYELV-QMMLZNLJSA-N 1 0 322.452 4.787 20 30 DJEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340445477 334203954 /nfs/dbraw/zinc/20/39/54/334203954.db2.gz DOKRJGGFALTUSH-UTKZUKDTSA-N 1 0 322.452 4.651 20 30 DJEDRO Cc1c([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447265 334204330 /nfs/dbraw/zinc/20/43/30/334204330.db2.gz PMKODQIDKCXCPD-JXFKEZNVSA-N 1 0 324.472 4.858 20 30 DJEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340447317 334204375 /nfs/dbraw/zinc/20/43/75/334204375.db2.gz PQHAZDXXJRZBKK-GBESFXJTSA-N 1 0 314.473 4.603 20 30 DJEDRO CC(C)n1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cn1 ZINC000340450338 334204872 /nfs/dbraw/zinc/20/48/72/334204872.db2.gz XJMMVQUFRONGCX-QFBILLFUSA-N 1 0 310.445 4.550 20 30 DJEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340452986 334205958 /nfs/dbraw/zinc/20/59/58/334205958.db2.gz PYGMJVAZXAYQRI-LEWJYISDSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCSCC1 ZINC000340453926 334206469 /nfs/dbraw/zinc/20/64/69/334206469.db2.gz RZZJTGCFIKJIOH-QAPCUYQASA-N 1 0 302.487 4.543 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453939 334206599 /nfs/dbraw/zinc/20/65/99/334206599.db2.gz SDULXHZBBYZFKE-JXFKEZNVSA-N 1 0 303.409 4.644 20 30 DJEDRO CCc1cccnc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340455056 334207267 /nfs/dbraw/zinc/20/72/67/334207267.db2.gz UREKOVUCRZNSPC-QFBILLFUSA-N 1 0 307.441 4.730 20 30 DJEDRO CCc1cccnc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340455040 334207297 /nfs/dbraw/zinc/20/72/97/334207297.db2.gz UREKOVUCRZNSPC-APWZRJJASA-N 1 0 307.441 4.730 20 30 DJEDRO Cc1cccc(NC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000187699580 334267998 /nfs/dbraw/zinc/26/79/98/334267998.db2.gz CUIDQCZSRWTQIH-QGZVFWFLSA-N 1 0 319.452 4.504 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(F)c1F ZINC000341898375 334493296 /nfs/dbraw/zinc/49/32/96/334493296.db2.gz SUWXHVTVJWUUCM-KPZWWZAWSA-N 1 0 312.363 4.565 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000112525276 334717257 /nfs/dbraw/zinc/71/72/57/334717257.db2.gz JZUFOZFPCCPXFY-STQMWFEESA-N 1 0 314.816 4.632 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000343988976 335206044 /nfs/dbraw/zinc/20/60/44/335206044.db2.gz PCCYRVVUHCIYCT-ACRUOGEOSA-N 1 0 320.436 4.519 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000344284219 335236352 /nfs/dbraw/zinc/23/63/52/335236352.db2.gz CCOHTIMRDLGORR-VQTJNVASSA-N 1 0 308.400 4.838 20 30 DJEDRO CCOc1ccccc1[C@H](CC)[NH2+]CCCCC(C)(C)C#N ZINC000444668382 338480702 /nfs/dbraw/zinc/48/07/02/338480702.db2.gz CCNLJIPMDXTDPE-KRWDZBQOSA-N 1 0 302.462 4.846 20 30 DJEDRO N#CCC[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761329 336233377 /nfs/dbraw/zinc/23/33/77/336233377.db2.gz WBULVNHJYBDCPG-VOFKWLDRSA-N 1 0 312.363 4.613 20 30 DJEDRO N#CCC[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761330 336233394 /nfs/dbraw/zinc/23/33/94/336233394.db2.gz WBULVNHJYBDCPG-ZMBJWTFHSA-N 1 0 312.363 4.613 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000532567464 336255821 /nfs/dbraw/zinc/25/58/21/336255821.db2.gz MCNQXSRXZFHJTA-IBGZPJMESA-N 1 0 310.416 4.883 20 30 DJEDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117267 336279388 /nfs/dbraw/zinc/27/93/88/336279388.db2.gz ORYMBIHQLOLIFT-AUUYWEPGSA-N 1 0 323.396 4.658 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000192936245 336285316 /nfs/dbraw/zinc/28/53/16/336285316.db2.gz FQRZQEYPKWXYHQ-KBPBESRZSA-N 1 0 314.816 4.654 20 30 DJEDRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980125 336286460 /nfs/dbraw/zinc/28/64/60/336286460.db2.gz WQKWGJCMFBGVDY-HOTGVXAUSA-N 1 0 308.425 4.563 20 30 DJEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000353912670 336447557 /nfs/dbraw/zinc/44/75/57/336447557.db2.gz FRLROWJLGCVYCZ-MNEFBYGVSA-N 1 0 308.425 4.928 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357788462 336598579 /nfs/dbraw/zinc/59/85/79/336598579.db2.gz LTZLEUXLQPGOKY-NRFANRHFSA-N 1 0 302.421 4.603 20 30 DJEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358330631 336624441 /nfs/dbraw/zinc/62/44/41/336624441.db2.gz RJYDBFFFABXPFG-JXFKEZNVSA-N 1 0 310.416 4.781 20 30 DJEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000358332346 336624503 /nfs/dbraw/zinc/62/45/03/336624503.db2.gz VRXWYEDTAKFMBM-WWMYMODYSA-N 1 0 322.452 4.822 20 30 DJEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358330638 336624533 /nfs/dbraw/zinc/62/45/33/336624533.db2.gz RJYDBFFFABXPFG-OXJNMPFZSA-N 1 0 310.416 4.781 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCc2occc21 ZINC000360836080 336723765 /nfs/dbraw/zinc/72/37/65/336723765.db2.gz MFRUBVFRQFEIAA-MOPGFXCFSA-N 1 0 306.409 4.586 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1F ZINC000361862245 336775871 /nfs/dbraw/zinc/77/58/71/336775871.db2.gz LXOYVTUEBXFDLR-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000362277532 336790623 /nfs/dbraw/zinc/79/06/23/336790623.db2.gz DIFMTYHBZOFUST-HZPDHXFCSA-N 1 0 310.363 4.625 20 30 DJEDRO N#Cc1ccc(F)c(C[NH2+][C@H](c2cccnc2)C2CCCCC2)c1 ZINC000372607733 336936077 /nfs/dbraw/zinc/93/60/77/336936077.db2.gz VNHBKSQSJILSJV-FQEVSTJZSA-N 1 0 323.415 4.504 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000178640834 337165684 /nfs/dbraw/zinc/16/56/84/337165684.db2.gz FIDTVINCXZXZMZ-JTQLQIEISA-N 1 0 303.258 4.716 20 30 DJEDRO CC(C)[N@H+](CCCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000582937057 337219501 /nfs/dbraw/zinc/21/95/01/337219501.db2.gz KIQXJBZKWOXAIE-UHFFFAOYSA-N 1 0 322.452 4.628 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722584 337318228 /nfs/dbraw/zinc/31/82/28/337318228.db2.gz FIZRSPFRLGUFQX-LEWJYISDSA-N 1 0 320.411 4.816 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722585 337318327 /nfs/dbraw/zinc/31/83/27/337318327.db2.gz FIZRSPFRLGUFQX-NHCUHLMSSA-N 1 0 320.411 4.816 20 30 DJEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000584569786 337363572 /nfs/dbraw/zinc/36/35/72/337363572.db2.gz UHZBVOUTISORQQ-PMACEKPBSA-N 1 0 320.436 4.685 20 30 DJEDRO CC(C)COc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000126786459 337417767 /nfs/dbraw/zinc/41/77/67/337417767.db2.gz WPJINUYQOYXDCE-OAQYLSRUSA-N 1 0 322.452 4.856 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438954 337489836 /nfs/dbraw/zinc/48/98/36/337489836.db2.gz ZOEQPVMTHOMERD-GUYCJALGSA-N 1 0 309.400 4.519 20 30 DJEDRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccc(C#N)s1 ZINC000421892170 337659333 /nfs/dbraw/zinc/65/93/33/337659333.db2.gz WJNNKCLTLHXVSY-GOSISDBHSA-N 1 0 321.449 4.577 20 30 DJEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000527794693 337764405 /nfs/dbraw/zinc/76/44/05/337764405.db2.gz IAIISMJNBXZTKA-IBGZPJMESA-N 1 0 324.855 4.918 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000424317326 337820054 /nfs/dbraw/zinc/82/00/54/337820054.db2.gz BWMOQNIWKODGMY-KYNGSXCRSA-N 1 0 310.828 4.711 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc2cc(OC)ccc2c1 ZINC000424333898 337822565 /nfs/dbraw/zinc/82/25/65/337822565.db2.gz URGSKWCDSOUGKB-QMIHWGKISA-N 1 0 308.425 4.581 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000424336276 337822697 /nfs/dbraw/zinc/82/26/97/337822697.db2.gz XOAVVJHSYBXGSW-IEAZIUSSSA-N 1 0 322.374 4.623 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c(F)c1 ZINC000055404324 337847859 /nfs/dbraw/zinc/84/78/59/337847859.db2.gz HSLKJCGBVZNWFN-GOSISDBHSA-N 1 0 314.791 4.592 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc2ccccc21 ZINC000120123479 337869096 /nfs/dbraw/zinc/86/90/96/337869096.db2.gz HRLWJLCWJHHPIM-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1ccccc1 ZINC000090664518 337883807 /nfs/dbraw/zinc/88/38/07/337883807.db2.gz PHQQAZOWEOLJQX-MSOLQXFVSA-N 1 0 308.450 4.858 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000537125423 337893613 /nfs/dbraw/zinc/89/36/13/337893613.db2.gz NTTCKBGJHQDGAA-SFHVURJKSA-N 1 0 302.437 4.977 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1 ZINC000061027690 337924372 /nfs/dbraw/zinc/92/43/72/337924372.db2.gz ODIOHPACZJEJTN-HNNXBMFYSA-N 1 0 307.393 4.848 20 30 DJEDRO N#CC1(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)CC1 ZINC000537289358 337928293 /nfs/dbraw/zinc/92/82/93/337928293.db2.gz DFLFXJKBKDHWIH-RTWAWAEBSA-N 1 0 316.448 4.741 20 30 DJEDRO Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc2c1C ZINC000537294316 337928843 /nfs/dbraw/zinc/92/88/43/337928843.db2.gz CIPUEAZZSWIJQR-HNNXBMFYSA-N 1 0 303.409 4.507 20 30 DJEDRO CC(C)(C#N)CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000537361995 337932704 /nfs/dbraw/zinc/93/27/04/337932704.db2.gz DKVXIJMMCRUFAN-UHFFFAOYSA-N 1 0 322.905 4.836 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000537400630 337935424 /nfs/dbraw/zinc/93/54/24/337935424.db2.gz FFSODPDMRBVHDE-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO CCSc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000426288702 338024642 /nfs/dbraw/zinc/02/46/42/338024642.db2.gz DLFUJGRZGDFQES-ZDUSSCGKSA-N 1 0 314.429 4.660 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(-c2ccccc2F)s1 ZINC000430722041 338112283 /nfs/dbraw/zinc/11/22/83/338112283.db2.gz DZVXIWJFEJUMOU-CYBMUJFWSA-N 1 0 314.429 4.899 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCOC1CCCCCC1)c1ccccc1 ZINC000433014401 338176382 /nfs/dbraw/zinc/17/63/82/338176382.db2.gz DPGAIAJNCKXODB-FQEVSTJZSA-N 1 0 314.473 4.751 20 30 DJEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433017963 338176462 /nfs/dbraw/zinc/17/64/62/338176462.db2.gz DOVFGZUDKBDXRH-MISYRCLQSA-N 1 0 314.473 4.606 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccccc1 ZINC000433019933 338176614 /nfs/dbraw/zinc/17/66/14/338176614.db2.gz QRLGTWLWKMHLIN-INIZCTEOSA-N 1 0 311.454 4.545 20 30 DJEDRO Cc1nc(C(C)C)oc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433025127 338176907 /nfs/dbraw/zinc/17/69/07/338176907.db2.gz HTYQODZKCYVBDI-QGZVFWFLSA-N 1 0 311.429 4.631 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000433032746 338177496 /nfs/dbraw/zinc/17/74/96/338177496.db2.gz BYOQCKWMQACETL-HXUWFJFHSA-N 1 0 322.456 4.523 20 30 DJEDRO Cc1ccccc1OCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433034396 338177565 /nfs/dbraw/zinc/17/75/65/338177565.db2.gz SDHOWEAOCVNMFK-FQEVSTJZSA-N 1 0 322.452 4.789 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 ZINC000154328366 338241421 /nfs/dbraw/zinc/24/14/21/338241421.db2.gz OWSXKWUFGWZFLQ-UONOGXRCSA-N 1 0 310.466 4.910 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000435664787 338244654 /nfs/dbraw/zinc/24/46/54/338244654.db2.gz NVGZRNUUDGLBBS-OZVIIMIRSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000435729955 338246588 /nfs/dbraw/zinc/24/65/88/338246588.db2.gz CBCKXFCCMMFKQJ-RQXATKFSSA-N 1 0 313.485 4.530 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000436293852 338266839 /nfs/dbraw/zinc/26/68/39/338266839.db2.gz DWCFSJHBBFQCMY-PVUWLOKVSA-N 1 0 311.828 4.501 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000436300588 338267523 /nfs/dbraw/zinc/26/75/23/338267523.db2.gz JYLNKOYRHOYGEK-JOQOYGCGSA-N 1 0 301.455 4.533 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000436305900 338267979 /nfs/dbraw/zinc/26/79/79/338267979.db2.gz IGFQJKDLDOMRBB-SUMDDJOVSA-N 1 0 319.514 4.819 20 30 DJEDRO CC[N@H+](Cc1cc2c(cccc2F)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000437579073 338314394 /nfs/dbraw/zinc/31/43/94/338314394.db2.gz NHBOEQJWNIWYBY-CQSZACIVSA-N 1 0 321.399 4.762 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000437758994 338320253 /nfs/dbraw/zinc/32/02/53/338320253.db2.gz CROMITGWVZERBA-ACRUOGEOSA-N 1 0 304.437 4.957 20 30 DJEDRO C=CCC[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000438984862 338357824 /nfs/dbraw/zinc/35/78/24/338357824.db2.gz MCSRHZKBZUVMMP-DYESRHJHSA-N 1 0 312.501 4.546 20 30 DJEDRO C[C@]1([NH2+]Cc2ccc(C#N)cc2Cl)CCCc2ccccc21 ZINC000439416567 338368741 /nfs/dbraw/zinc/36/87/41/338368741.db2.gz BIZFZLKPSWLTMK-IBGZPJMESA-N 1 0 310.828 4.553 20 30 DJEDRO C[C@@H]([NH2+]CCc1c(Cl)cccc1Cl)c1ccc(C#N)cc1 ZINC000439561915 338373067 /nfs/dbraw/zinc/37/30/67/338373067.db2.gz PJTFFKZZOBQJCD-GFCCVEGCSA-N 1 0 319.235 4.758 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000442099840 338421226 /nfs/dbraw/zinc/42/12/26/338421226.db2.gz PLJPVEXRUBJLFR-PNESKVBLSA-N 1 0 311.256 4.974 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)C1 ZINC000442761891 338429855 /nfs/dbraw/zinc/42/98/55/338429855.db2.gz DGIVNDGQCKDZRT-YWMUFLPLSA-N 1 0 316.404 4.804 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000442777739 338430586 /nfs/dbraw/zinc/43/05/86/338430586.db2.gz AAZFYUTWJSHOTL-CCKFTAQKSA-N 1 0 310.828 4.711 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)C1 ZINC000442847436 338434371 /nfs/dbraw/zinc/43/43/71/338434371.db2.gz CJUNURZHBFPDHO-ZFWWWQNUSA-N 1 0 320.839 4.573 20 30 DJEDRO CCSc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442856182 338435071 /nfs/dbraw/zinc/43/50/71/338435071.db2.gz ODASFXJTSIMURI-QQFBHYJXSA-N 1 0 302.487 4.779 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000442862730 338435742 /nfs/dbraw/zinc/43/57/42/338435742.db2.gz AWIHPEPPIDFQRW-BPZDKFOGSA-N 1 0 322.427 4.835 20 30 DJEDRO CC[C@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447516905 338553506 /nfs/dbraw/zinc/55/35/06/338553506.db2.gz QNSOFZGEDPXRNM-UTKZUKDTSA-N 1 0 322.452 4.767 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000447525657 338553969 /nfs/dbraw/zinc/55/39/69/338553969.db2.gz AQAANQCBBZJRDM-MOPGFXCFSA-N 1 0 310.828 4.940 20 30 DJEDRO CC[C@@H]([NH2+]CCc1c[nH]c2c1cccc2C)c1ccc(C#N)cc1 ZINC000447526721 338553973 /nfs/dbraw/zinc/55/39/73/338553973.db2.gz CFKYVGGSXIOKQR-HXUWFJFHSA-N 1 0 317.436 4.631 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc2[nH]c(C)c(C)c2c1)c1ccc(C#N)cc1 ZINC000447534194 338554867 /nfs/dbraw/zinc/55/48/67/338554867.db2.gz VLOTWWHHYYYDOO-FQEVSTJZSA-N 1 0 317.436 4.897 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(C#N)cc1 ZINC000447582119 338559145 /nfs/dbraw/zinc/55/91/45/338559145.db2.gz YAQSFBKQQABJGK-PMACEKPBSA-N 1 0 322.477 4.630 20 30 DJEDRO CC[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1 ZINC000447585107 338559360 /nfs/dbraw/zinc/55/93/60/338559360.db2.gz IDUNAZQYZUTPML-GQWLDOHISA-N 1 0 304.437 4.923 20 30 DJEDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000447587155 338559680 /nfs/dbraw/zinc/55/96/80/338559680.db2.gz PAWKNZFUXODKKX-IKGGRYGDSA-N 1 0 324.390 4.968 20 30 DJEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000449077793 338591194 /nfs/dbraw/zinc/59/11/94/338591194.db2.gz YUDDXNCSXXXEMY-UWTIGNOOSA-N 1 0 310.363 4.828 20 30 DJEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449176811 338599516 /nfs/dbraw/zinc/59/95/16/338599516.db2.gz NRSUJEFHSBZGBV-AGDHPHLSSA-N 1 0 300.421 4.511 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000449240021 338605771 /nfs/dbraw/zinc/60/57/71/338605771.db2.gz XQFZQYBLOQCPQE-SNRMKQJTSA-N 1 0 305.437 4.770 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000449240022 338605793 /nfs/dbraw/zinc/60/57/93/338605793.db2.gz XQFZQYBLOQCPQE-ZYSHUDEJSA-N 1 0 305.437 4.770 20 30 DJEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444338 338624616 /nfs/dbraw/zinc/62/46/16/338624616.db2.gz ADDMYFPCUSWZKY-KMFMINBZSA-N 1 0 324.390 4.698 20 30 DJEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445808 338624786 /nfs/dbraw/zinc/62/47/86/338624786.db2.gz MBRAOCODYHHXIA-QRTARXTBSA-N 1 0 324.390 4.698 20 30 DJEDRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453286910 338818927 /nfs/dbraw/zinc/81/89/27/338818927.db2.gz FDPWBMYAGAJRQB-ULQDDVLXSA-N 1 0 323.484 4.896 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000453289193 338819348 /nfs/dbraw/zinc/81/93/48/338819348.db2.gz ISOQGYHZNFCPRN-PGUXBMHVSA-N 1 0 309.240 4.653 20 30 DJEDRO Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CCCC2)o1 ZINC000453387940 338836372 /nfs/dbraw/zinc/83/63/72/338836372.db2.gz QEQVRFYQVKSPJA-LJQANCHMSA-N 1 0 312.388 4.620 20 30 DJEDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000462535932 339080663 /nfs/dbraw/zinc/08/06/63/339080663.db2.gz CZRNTWYHJUYHMM-JLTOFOAXSA-N 1 0 308.400 4.501 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000462736269 339085747 /nfs/dbraw/zinc/08/57/47/339085747.db2.gz DURGZWDKIGKDCN-MRXNPFEDSA-N 1 0 313.466 4.522 20 30 DJEDRO C=CCSCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462799638 339089592 /nfs/dbraw/zinc/08/95/92/339089592.db2.gz VPSREKQUBMMLBH-GFCCVEGCSA-N 1 0 322.474 4.519 20 30 DJEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101164 339105837 /nfs/dbraw/zinc/10/58/37/339105837.db2.gz CWUYSFBVLYNCGP-KJJMTIBFSA-N 1 0 316.448 4.562 20 30 DJEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463190357 339108655 /nfs/dbraw/zinc/10/86/55/339108655.db2.gz CRSUFVRZEOPEFP-SFTDATJTSA-N 1 0 323.484 4.646 20 30 DJEDRO C[C@@H](c1ccccc1)[N@H+](CCCSCC#N)Cc1ccccc1 ZINC000463222084 339110236 /nfs/dbraw/zinc/11/02/36/339110236.db2.gz HFBFKXABJCNWTM-SFHVURJKSA-N 1 0 324.493 4.897 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463237457 339111055 /nfs/dbraw/zinc/11/10/55/339111055.db2.gz VTAWRVOSAHYFTL-FCEUIQTBSA-N 1 0 318.464 4.685 20 30 DJEDRO CC(C)(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000463239241 339111168 /nfs/dbraw/zinc/11/11/68/339111168.db2.gz VBMADKFRNDCPHQ-SUYBPPKGSA-N 1 0 306.400 4.724 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000463240032 339111270 /nfs/dbraw/zinc/11/12/70/339111270.db2.gz HPEXBXSSDXQMMU-WIYYLYMNSA-N 1 0 304.437 4.568 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000463281387 339113105 /nfs/dbraw/zinc/11/31/05/339113105.db2.gz HGLQYOBAUFWCTM-NIKGAXFTSA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293732 339113755 /nfs/dbraw/zinc/11/37/55/339113755.db2.gz MOTZJKXCNHFICA-QZTJIDSGSA-N 1 0 312.457 4.570 20 30 DJEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1c(Cl)cccc1Cl ZINC000463303228 339114198 /nfs/dbraw/zinc/11/41/98/339114198.db2.gz QMDMAARNVKSYPN-JHJVBQTASA-N 1 0 311.256 4.769 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304708 339114277 /nfs/dbraw/zinc/11/42/77/339114277.db2.gz SDAJSZPSTHCRBU-ZMSDIMECSA-N 1 0 302.487 4.920 20 30 DJEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304845 339114282 /nfs/dbraw/zinc/11/42/82/339114282.db2.gz WRQPHKXOLQCJCE-POAQFYNOSA-N 1 0 311.473 4.555 20 30 DJEDRO N#CCCCOc1cccc(C[NH2+]CCC2=CCCCCC2)c1 ZINC000463696725 339123962 /nfs/dbraw/zinc/12/39/62/339123962.db2.gz FBSYDXIOJXNLFE-UHFFFAOYSA-N 1 0 312.457 4.739 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760413 339151507 /nfs/dbraw/zinc/15/15/07/339151507.db2.gz GZKRNSGMGHBDCY-WMZOPIPTSA-N 1 0 322.477 4.733 20 30 DJEDRO N#CCSCCC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000466726743 339214440 /nfs/dbraw/zinc/21/44/40/339214440.db2.gz DFCOFLYLNKCQLS-UHFFFAOYSA-N 1 0 322.477 4.576 20 30 DJEDRO N#CCCCC[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466953978 339222586 /nfs/dbraw/zinc/22/25/86/339222586.db2.gz YRCDCSZVCGSDHM-MRXNPFEDSA-N 1 0 312.482 4.850 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467359597 339233967 /nfs/dbraw/zinc/23/39/67/339233967.db2.gz ONSTVAJOXMNQKH-JEBQAFNWSA-N 1 0 302.849 4.853 20 30 DJEDRO CCSc1ccc([C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467432985 339238101 /nfs/dbraw/zinc/23/81/01/339238101.db2.gz ODJLRSAEAQSHKE-HNNXBMFYSA-N 1 0 310.466 4.564 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000467445173 339239010 /nfs/dbraw/zinc/23/90/10/339239010.db2.gz YKZLSIWPVILFIM-REBRKWNGSA-N 1 0 323.267 4.911 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446322 339239203 /nfs/dbraw/zinc/23/92/03/339239203.db2.gz DLSXRFXPVQTMDL-WCQYABFASA-N 1 0 309.240 4.654 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736811 339244501 /nfs/dbraw/zinc/24/45/01/339244501.db2.gz XYCJDPXLPRARTC-WDEREUQCSA-N 1 0 306.397 4.947 20 30 DJEDRO C=CCC(CC=C)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000467832030 339247117 /nfs/dbraw/zinc/24/71/17/339247117.db2.gz NIUVSRMHFYHWID-UHFFFAOYSA-N 1 0 309.413 4.537 20 30 DJEDRO Cc1cccc(C2([NH2+]Cc3ccc(F)c(C#N)c3)CCCC2)c1 ZINC000468268195 339258253 /nfs/dbraw/zinc/25/82/53/339258253.db2.gz PIBPODXBPYCSCR-UHFFFAOYSA-N 1 0 308.400 4.565 20 30 DJEDRO N#CCCCC[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469518980 339292384 /nfs/dbraw/zinc/29/23/84/339292384.db2.gz MEUVWEZKLWMHRH-INIZCTEOSA-N 1 0 310.363 4.926 20 30 DJEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000470777644 339327569 /nfs/dbraw/zinc/32/75/69/339327569.db2.gz YRYUJYPJZNPZBS-UHFFFAOYSA-N 1 0 324.374 4.785 20 30 DJEDRO C=CCCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000471578454 339347860 /nfs/dbraw/zinc/34/78/60/339347860.db2.gz RAKNZGAIBSWGEH-FQEVSTJZSA-N 1 0 306.409 4.863 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606614 339349242 /nfs/dbraw/zinc/34/92/42/339349242.db2.gz OIPQYUNDIBSKGX-UXPWSPDFSA-N 1 0 324.855 4.906 20 30 DJEDRO C=C(C)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472953340 339379322 /nfs/dbraw/zinc/37/93/22/339379322.db2.gz OLGLFVWKMGLTNK-UHFFFAOYSA-N 1 0 314.256 4.551 20 30 DJEDRO CC(C)([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000473430400 339385247 /nfs/dbraw/zinc/38/52/47/339385247.db2.gz WZIIZZYUWBGSRB-UHFFFAOYSA-N 1 0 316.807 4.570 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000474107984 339403104 /nfs/dbraw/zinc/40/31/04/339403104.db2.gz SQFXREIWHDIRGV-STQMWFEESA-N 1 0 308.356 4.855 20 30 DJEDRO CC1(C#N)CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474921829 339431078 /nfs/dbraw/zinc/43/10/78/339431078.db2.gz FLQWTTLGSDVQPD-UHFFFAOYSA-N 1 0 324.390 4.654 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000475512293 339453530 /nfs/dbraw/zinc/45/35/30/339453530.db2.gz YKVWWMRPBBEODR-OCCSQVGLSA-N 1 0 311.267 4.630 20 30 DJEDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1ccc(C#N)cc1 ZINC000478772571 339522357 /nfs/dbraw/zinc/52/23/57/339522357.db2.gz FLBQIBFSWIZPNJ-CQSZACIVSA-N 1 0 310.828 4.594 20 30 DJEDRO COCCCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000479501023 339538285 /nfs/dbraw/zinc/53/82/85/339538285.db2.gz WFOGTXDPAQRFIS-UTKZUKDTSA-N 1 0 322.452 4.767 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000479528798 339539537 /nfs/dbraw/zinc/53/95/37/339539537.db2.gz OXOZMKSEDBRYSO-QMIHWGKISA-N 1 0 308.400 4.684 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000480681902 339583196 /nfs/dbraw/zinc/58/31/96/339583196.db2.gz NKDYCKVVXNPFFX-YJYMSZOUSA-N 1 0 317.379 4.941 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000480878630 339589264 /nfs/dbraw/zinc/58/92/64/339589264.db2.gz MTIGWLGPDANHFL-LJQANCHMSA-N 1 0 310.828 4.761 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000481719756 339611027 /nfs/dbraw/zinc/61/10/27/339611027.db2.gz CYMGQXOBXFYMGH-QGTPRVQTSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000481720803 339611098 /nfs/dbraw/zinc/61/10/98/339611098.db2.gz UMPGVQPUOHIRER-QGTPRVQTSA-N 1 0 308.400 4.684 20 30 DJEDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000482002256 339619192 /nfs/dbraw/zinc/61/91/92/339619192.db2.gz PCHZDXGJEUVTSY-GOEBONIOSA-N 1 0 310.363 4.646 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000482871336 339645255 /nfs/dbraw/zinc/64/52/55/339645255.db2.gz QZVRXGFNTKORFK-AWEZNQCLSA-N 1 0 301.455 4.726 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000484059340 339680231 /nfs/dbraw/zinc/68/02/31/339680231.db2.gz PPOZYACNMMCNOR-LJQANCHMSA-N 1 0 310.416 4.883 20 30 DJEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000484363375 339685686 /nfs/dbraw/zinc/68/56/86/339685686.db2.gz VDJJEPRCMOGOLK-OAHLLOKOSA-N 1 0 304.393 4.658 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000485730081 339711588 /nfs/dbraw/zinc/71/15/88/339711588.db2.gz ZECKQJRPIQYICW-UHFFFAOYSA-N 1 0 320.427 4.696 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000486677342 339730707 /nfs/dbraw/zinc/73/07/07/339730707.db2.gz PIRNSZJLCUFOSY-CQSZACIVSA-N 1 0 301.817 4.756 20 30 DJEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(F)cc1F ZINC000488146724 339771918 /nfs/dbraw/zinc/77/19/18/339771918.db2.gz ICNNDBPQNATGNA-LJQANCHMSA-N 1 0 314.379 4.776 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000488471908 339784543 /nfs/dbraw/zinc/78/45/43/339784543.db2.gz UGEYLUJVHIEGKJ-VXGBXAGGSA-N 1 0 302.780 4.763 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCCC1 ZINC000494918415 339964616 /nfs/dbraw/zinc/96/46/16/339964616.db2.gz AMFPIXONFCBGQS-OAQYLSRUSA-N 1 0 304.437 4.888 20 30 DJEDRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000495029548 339970705 /nfs/dbraw/zinc/97/07/05/339970705.db2.gz NZTHTYWRYQEIRT-CHWSQXEVSA-N 1 0 310.363 4.564 20 30 DJEDRO Cc1cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N ZINC000500431484 340058441 /nfs/dbraw/zinc/05/84/41/340058441.db2.gz XTWOXBJOWLABQT-KUHUBIRLSA-N 1 0 310.828 4.545 20 30 DJEDRO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000502545513 340107300 /nfs/dbraw/zinc/10/73/00/340107300.db2.gz VOQBUKPWWGQAFM-UHFFFAOYSA-N 1 0 308.450 4.526 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853764 340135140 /nfs/dbraw/zinc/13/51/40/340135140.db2.gz FGKULZSMNFWZHV-YJYMSZOUSA-N 1 0 314.379 4.884 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000506633358 340198152 /nfs/dbraw/zinc/19/81/52/340198152.db2.gz PMBHRHDXCHGOLW-LJQANCHMSA-N 1 0 313.828 4.682 20 30 DJEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000507206934 340213435 /nfs/dbraw/zinc/21/34/35/340213435.db2.gz ASJOBRNAQOFYAH-NSHDSACASA-N 1 0 324.371 4.832 20 30 DJEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC000507911837 340235765 /nfs/dbraw/zinc/23/57/65/340235765.db2.gz CUWQXKYQIDKKMA-LBPRGKRZSA-N 1 0 319.235 4.586 20 30 DJEDRO N#Cc1csc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000508009073 340237262 /nfs/dbraw/zinc/23/72/62/340237262.db2.gz NHVSRSDWCDCYTL-IBGZPJMESA-N 1 0 308.450 4.662 20 30 DJEDRO CC[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508604498 340247852 /nfs/dbraw/zinc/24/78/52/340247852.db2.gz NEQXXZYNXHLJRR-LBPRGKRZSA-N 1 0 318.342 4.559 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000509405497 340268423 /nfs/dbraw/zinc/26/84/23/340268423.db2.gz TXFIKBUMNCHKBJ-FQEVSTJZSA-N 1 0 323.484 4.681 20 30 DJEDRO C=C(C[NH2+]C/C(C)=C/c1ccccc1COC)c1ccccc1 ZINC000510284213 340295069 /nfs/dbraw/zinc/29/50/69/340295069.db2.gz SJVUAZZQJLGVTP-GHRIWEEISA-N 1 0 307.437 4.539 20 30 DJEDRO N#CCCCC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511217196 340323993 /nfs/dbraw/zinc/32/39/93/340323993.db2.gz OUULGRCJSWBBTD-UHFFFAOYSA-N 1 0 309.240 4.776 20 30 DJEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)c1cc2ccccc2o1 ZINC000511894096 340342018 /nfs/dbraw/zinc/34/20/18/340342018.db2.gz QLQCMWHUOZSHHK-ZDUSSCGKSA-N 1 0 310.422 4.949 20 30 DJEDRO Cc1c(C[NH+]2CCC(C)(C#N)CC2)sc2c1cccc2Cl ZINC000512339215 340358011 /nfs/dbraw/zinc/35/80/11/340358011.db2.gz RGWWDLIERJTJHQ-UHFFFAOYSA-N 1 0 318.873 4.989 20 30 DJEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(F)cc1 ZINC000512507009 340364640 /nfs/dbraw/zinc/36/46/40/340364640.db2.gz SWQNXNVVDJUMNB-MRXNPFEDSA-N 1 0 315.436 4.742 20 30 DJEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc2ccccc2o1 ZINC000512506876 340364692 /nfs/dbraw/zinc/36/46/92/340364692.db2.gz RBHZRRBIZSAMTO-UHFFFAOYSA-N 1 0 323.440 4.789 20 30 DJEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cccc(F)c1 ZINC000512531858 340365714 /nfs/dbraw/zinc/36/57/14/340365714.db2.gz KDEYVPIMJMGXEB-INIZCTEOSA-N 1 0 315.436 4.742 20 30 DJEDRO C=C(C)C[N@@H+](CCCCC(C)(C)C#N)Cc1cnn(C(C)C)c1 ZINC000512556887 340366691 /nfs/dbraw/zinc/36/66/91/340366691.db2.gz ICELCSYVCGUFHX-UHFFFAOYSA-N 1 0 316.493 4.562 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)cc1F ZINC000512613865 340369085 /nfs/dbraw/zinc/36/90/85/340369085.db2.gz UGJGXRUEWIHMLF-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)s1 ZINC000512616382 340369181 /nfs/dbraw/zinc/36/91/81/340369181.db2.gz ASWFGRUYEDCQAJ-RYUDHWBXSA-N 1 0 302.418 4.788 20 30 DJEDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C2CC2)cc1 ZINC000512621400 340369617 /nfs/dbraw/zinc/36/96/17/340369617.db2.gz XSVGPADTJAIAQA-ZUOKHONESA-N 1 0 324.399 4.508 20 30 DJEDRO C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccc(C#N)cc1F ZINC000512628987 340369919 /nfs/dbraw/zinc/36/99/19/340369919.db2.gz HHJMXCGMSUXLGC-WDEREUQCSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccc(C#N)cc1F ZINC000512653855 340371156 /nfs/dbraw/zinc/37/11/56/340371156.db2.gz HKFGQWAYZFSEJU-BUXKBTBVSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512655315 340371367 /nfs/dbraw/zinc/37/13/67/340371367.db2.gz SXGWEOVZNWHXTB-BOUXLOLZSA-N 1 0 308.400 4.684 20 30 DJEDRO CC(C)(C)[N@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000513028181 340389262 /nfs/dbraw/zinc/38/92/62/340389262.db2.gz WITCVQVYKFOHGC-UHFFFAOYSA-N 1 0 302.418 4.560 20 30 DJEDRO C=C1CC[NH+](Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000513483223 340409903 /nfs/dbraw/zinc/40/99/03/340409903.db2.gz BQPBGFFDZFNJDS-UHFFFAOYSA-N 1 0 323.436 4.523 20 30 DJEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 ZINC000186846658 340516445 /nfs/dbraw/zinc/51/64/45/340516445.db2.gz MOJXIKRBTMFKRH-GUYCJALGSA-N 1 0 318.342 4.555 20 30 DJEDRO N#CC1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000194997162 340598214 /nfs/dbraw/zinc/59/82/14/340598214.db2.gz HIPAKQSWYOHQRV-UHFFFAOYSA-N 1 0 311.256 4.552 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc1 ZINC000237512175 340671688 /nfs/dbraw/zinc/67/16/88/340671688.db2.gz ODIOHPACZJEJTN-OAHLLOKOSA-N 1 0 307.393 4.848 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000237788290 340674003 /nfs/dbraw/zinc/67/40/03/340674003.db2.gz NKMIMCGVJQDRRR-IBGZPJMESA-N 1 0 310.828 4.843 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528658248 340728322 /nfs/dbraw/zinc/72/83/22/340728322.db2.gz LZKHRZPQQGAQKU-FQEVSTJZSA-N 1 0 319.452 4.514 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000037748670 340786422 /nfs/dbraw/zinc/78/64/22/340786422.db2.gz QSRDPWYYFHWXLE-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO Cc1ccsc1[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000537972056 340794573 /nfs/dbraw/zinc/79/45/73/340794573.db2.gz TVNZMBTYKDXXBD-AWEZNQCLSA-N 1 0 316.495 4.512 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000538099227 340809294 /nfs/dbraw/zinc/80/92/94/340809294.db2.gz SKCHLZILRAHXDR-HXUWFJFHSA-N 1 0 311.400 4.631 20 30 DJEDRO Cc1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000539083673 340871567 /nfs/dbraw/zinc/87/15/67/340871567.db2.gz OIJQXFADVKWYIP-UHFFFAOYSA-N 1 0 318.464 4.531 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H](C)CC)c1)C1CC1 ZINC000539092596 340872786 /nfs/dbraw/zinc/87/27/86/340872786.db2.gz CEEJJOBKQQVXNB-HNAYVOBHSA-N 1 0 314.473 4.506 20 30 DJEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccc(C#N)c1F ZINC000539259910 340878847 /nfs/dbraw/zinc/87/88/47/340878847.db2.gz DLLDIASGVZXIDW-LJQANCHMSA-N 1 0 310.416 4.883 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000539342933 340881892 /nfs/dbraw/zinc/88/18/92/340881892.db2.gz MMCLRFSWLNWXHK-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO Cc1cc([C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C2CC2)ccc1F ZINC000539424204 340884949 /nfs/dbraw/zinc/88/49/49/340884949.db2.gz KEDSBCVCKBZXBR-JLTOFOAXSA-N 1 0 308.400 4.808 20 30 DJEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000539497508 340887786 /nfs/dbraw/zinc/88/77/86/340887786.db2.gz XWWDDKGXJAFGIM-SJORKVTESA-N 1 0 322.452 4.895 20 30 DJEDRO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000540148408 340917287 /nfs/dbraw/zinc/91/72/87/340917287.db2.gz MXXDXJXLWKURAC-QFBILLFUSA-N 1 0 308.425 4.699 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000540171065 340920243 /nfs/dbraw/zinc/92/02/43/340920243.db2.gz MOYBXOXSDRMMFQ-SWLSCSKDSA-N 1 0 316.445 4.881 20 30 DJEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000540191175 340922476 /nfs/dbraw/zinc/92/24/76/340922476.db2.gz LYZHQBXISZIXPA-CVEARBPZSA-N 1 0 321.892 4.579 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(F)c1 ZINC000540428351 340930898 /nfs/dbraw/zinc/93/08/98/340930898.db2.gz RVDNTHILOQGVKN-GOSISDBHSA-N 1 0 314.379 4.713 20 30 DJEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211546 341000322 /nfs/dbraw/zinc/00/03/22/341000322.db2.gz CVVHQLAUNCUNAA-OAHLLOKOSA-N 1 0 304.393 4.692 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565310 341013916 /nfs/dbraw/zinc/01/39/16/341013916.db2.gz OVWLSGISKWCHIU-WDEREUQCSA-N 1 0 306.397 4.947 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565309 341013950 /nfs/dbraw/zinc/01/39/50/341013950.db2.gz OVWLSGISKWCHIU-QWRGUYRKSA-N 1 0 306.397 4.947 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000542845852 341023230 /nfs/dbraw/zinc/02/32/30/341023230.db2.gz BXKKCTKBILLWTN-SMDDNHRTSA-N 1 0 303.393 4.664 20 30 DJEDRO Cc1ccc(-c2cccc(C[NH+]3CCC(CC#N)CC3)c2)cc1 ZINC000542854952 341023699 /nfs/dbraw/zinc/02/36/99/341023699.db2.gz YBXIRFFQGWOTHH-UHFFFAOYSA-N 1 0 304.437 4.788 20 30 DJEDRO C[C@H]([NH2+]C1CCSCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542992919 341028097 /nfs/dbraw/zinc/02/80/97/341028097.db2.gz RDXKGZKEHMCQAW-HNNXBMFYSA-N 1 0 322.477 4.771 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000543183197 341035611 /nfs/dbraw/zinc/03/56/11/341035611.db2.gz IDLRLJKNAAHYMB-IBGZPJMESA-N 1 0 312.844 4.893 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000543183988 341035646 /nfs/dbraw/zinc/03/56/46/341035646.db2.gz JQGZLYPRDLXUNA-LJQANCHMSA-N 1 0 310.828 4.647 20 30 DJEDRO CCCC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OC)cc1 ZINC000543182405 341035667 /nfs/dbraw/zinc/03/56/67/341035667.db2.gz REHWSZIRKFZSOH-NRFANRHFSA-N 1 0 322.452 4.782 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000543183198 341035720 /nfs/dbraw/zinc/03/57/20/341035720.db2.gz IDLRLJKNAAHYMB-LJQANCHMSA-N 1 0 312.844 4.893 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000543186992 341035778 /nfs/dbraw/zinc/03/57/78/341035778.db2.gz ZUCPIOXXPIDWRV-NRFANRHFSA-N 1 0 322.427 4.913 20 30 DJEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000543497247 341047525 /nfs/dbraw/zinc/04/75/25/341047525.db2.gz JDGRBEWAJNABDB-QWHCGFSZSA-N 1 0 312.379 4.727 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543594778 341049956 /nfs/dbraw/zinc/04/99/56/341049956.db2.gz JJHAPJPYWYJQRE-IPMKNSEASA-N 1 0 305.437 4.770 20 30 DJEDRO N#CCC1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000543808487 341060056 /nfs/dbraw/zinc/06/00/56/341060056.db2.gz QFWRWNGJLCWKHE-UHFFFAOYSA-N 1 0 304.846 4.680 20 30 DJEDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960973 341064414 /nfs/dbraw/zinc/06/44/14/341064414.db2.gz HXSQZZDCQSWKCZ-SJORKVTESA-N 1 0 322.452 4.691 20 30 DJEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000544602699 341088164 /nfs/dbraw/zinc/08/81/64/341088164.db2.gz AVHSDMZXASAUEU-GFCCVEGCSA-N 1 0 302.780 4.510 20 30 DJEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](CCCSCC#N)C1CC1 ZINC000072515138 341088661 /nfs/dbraw/zinc/08/86/61/341088661.db2.gz YSBPGYAPZYUMKD-ZDUSSCGKSA-N 1 0 308.878 4.512 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000544826883 341095110 /nfs/dbraw/zinc/09/51/10/341095110.db2.gz HMLIIUGSXOMZRY-RDTXWAMCSA-N 1 0 300.833 4.573 20 30 DJEDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000544841749 341095938 /nfs/dbraw/zinc/09/59/38/341095938.db2.gz PYFLEKFPCUHNGV-NSHDSACASA-N 1 0 317.248 4.665 20 30 DJEDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000546178517 341156115 /nfs/dbraw/zinc/15/61/15/341156115.db2.gz GCRLEWHKIZHULU-JTQLQIEISA-N 1 0 317.248 4.665 20 30 DJEDRO C[C@H](c1ccccc1Cl)[N@H+](CCCSCC#N)C1CC1 ZINC000074990086 341159087 /nfs/dbraw/zinc/15/90/87/341159087.db2.gz GSJSWBDZSQQCHX-CYBMUJFWSA-N 1 0 308.878 4.512 20 30 DJEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1 ZINC000236697912 341195558 /nfs/dbraw/zinc/19/55/58/341195558.db2.gz KKSSBDHMSKPPTO-UHFFFAOYSA-N 1 0 317.379 4.555 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000237354659 341212426 /nfs/dbraw/zinc/21/24/26/341212426.db2.gz SJFGIMVFSJTCEK-VMDGZTHMSA-N 1 0 310.828 4.699 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000237660001 341217721 /nfs/dbraw/zinc/21/77/21/341217721.db2.gz SLDOZECOVXHSQJ-UHFFFAOYSA-N 1 0 316.857 4.832 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](CC2CCCCC2)c2ccccc2)o1 ZINC000237843228 341221759 /nfs/dbraw/zinc/22/17/59/341221759.db2.gz ZIZCJQRHSDUGDD-FQEVSTJZSA-N 1 0 308.425 4.953 20 30 DJEDRO C[C@H]1CC[N@H+](CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135395516 341238616 /nfs/dbraw/zinc/23/86/16/341238616.db2.gz CENSYJJSNSWARZ-BBRMVZONSA-N 1 0 310.363 4.782 20 30 DJEDRO C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(C#N)cc1 ZINC000135848139 341247260 /nfs/dbraw/zinc/24/72/60/341247260.db2.gz HJFFOQISUGYGRY-ZDUSSCGKSA-N 1 0 311.454 4.523 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000549078254 341285547 /nfs/dbraw/zinc/28/55/47/341285547.db2.gz QCTSHMCPKVGEDB-OAHLLOKOSA-N 1 0 310.363 4.686 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536284 341296859 /nfs/dbraw/zinc/29/68/59/341296859.db2.gz SKSHSLNJNURKCD-AVYPCKFXSA-N 1 0 308.400 4.836 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000549717880 341301351 /nfs/dbraw/zinc/30/13/51/341301351.db2.gz JLBLABXUEUYOKL-XAGWURHQSA-N 1 0 309.240 4.726 20 30 DJEDRO C=CCCCCC[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551418206 341341083 /nfs/dbraw/zinc/34/10/83/341341083.db2.gz LOHFDXLSPZBOPO-INIZCTEOSA-N 1 0 323.278 4.631 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccco1 ZINC000550882424 341325395 /nfs/dbraw/zinc/32/53/95/341325395.db2.gz NJUSQBDYGVRSES-HNNXBMFYSA-N 1 0 324.346 4.533 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c2ccccc21 ZINC000551085345 341331264 /nfs/dbraw/zinc/33/12/64/341331264.db2.gz AZVBUUDGMRKOTI-CYBMUJFWSA-N 1 0 322.358 4.840 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccco1 ZINC000552067380 341367028 /nfs/dbraw/zinc/36/70/28/341367028.db2.gz IFCTZOAXQSPZOM-INIZCTEOSA-N 1 0 314.429 4.649 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccccc1 ZINC000552083377 341368099 /nfs/dbraw/zinc/36/80/99/341368099.db2.gz AWOZKVXFQOXPSL-HXUWFJFHSA-N 1 0 315.420 4.760 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccco1 ZINC000552243593 341380709 /nfs/dbraw/zinc/38/07/09/341380709.db2.gz FGNUGZWUFOFPJZ-SFHVURJKSA-N 1 0 322.408 4.634 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000552282925 341384006 /nfs/dbraw/zinc/38/40/06/341384006.db2.gz SDAMIURVTYGPDO-OAHLLOKOSA-N 1 0 309.331 4.537 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2cccs2)C1 ZINC000248851906 341388484 /nfs/dbraw/zinc/38/84/84/341388484.db2.gz OVWNQGPKHRLSBK-KZNAEPCWSA-N 1 0 310.466 4.704 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000248851910 341388573 /nfs/dbraw/zinc/38/85/73/341388573.db2.gz OVWNQGPKHRLSBK-SQNIBIBYSA-N 1 0 310.466 4.704 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038850 341392516 /nfs/dbraw/zinc/39/25/16/341392516.db2.gz UEPKTYMUKMWSKN-CDHQVMDDSA-N 1 0 308.400 4.587 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038856 341392602 /nfs/dbraw/zinc/39/26/02/341392602.db2.gz UEPKTYMUKMWSKN-YSGRDPCXSA-N 1 0 308.400 4.587 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000555527703 341484167 /nfs/dbraw/zinc/48/41/67/341484167.db2.gz MSRPZBJGASFXLV-GXTWGEPZSA-N 1 0 323.267 4.865 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccc(C#N)cc1F ZINC000556218200 341497674 /nfs/dbraw/zinc/49/76/74/341497674.db2.gz QRKMDYSFKPBRTE-GFCCVEGCSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c2ccccc21 ZINC000564680132 341506720 /nfs/dbraw/zinc/50/67/20/341506720.db2.gz RBUBLQKTCSRFSE-LBPRGKRZSA-N 1 0 310.397 4.763 20 30 DJEDRO COc1cc(C[NH2+][C@H](C)c2ccccc2C(C)(C)C)ccc1C#N ZINC000567203350 341586320 /nfs/dbraw/zinc/58/63/20/341586320.db2.gz LFTZDILFLZHNMQ-OAHLLOKOSA-N 1 0 322.452 4.715 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)s1 ZINC000154474645 341589839 /nfs/dbraw/zinc/58/98/39/341589839.db2.gz QCPBJNAODIOSNZ-SFHVURJKSA-N 1 0 314.429 4.780 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000271497808 341622891 /nfs/dbraw/zinc/62/28/91/341622891.db2.gz QGBCHGQBYIAUKQ-IRXDYDNUSA-N 1 0 308.425 4.618 20 30 DJEDRO CC(C)Sc1ccc(C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000567791557 341633690 /nfs/dbraw/zinc/63/36/90/341633690.db2.gz VYYWKFSUVWLHJJ-UHFFFAOYSA-N 1 0 302.487 4.703 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3sccc3c1)CC2 ZINC000575031508 341772718 /nfs/dbraw/zinc/77/27/18/341772718.db2.gz NGRMDCAJPUDPIS-SFHVURJKSA-N 1 0 304.418 4.550 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000336865177 341808907 /nfs/dbraw/zinc/80/89/07/341808907.db2.gz UZDCCUYPLKKMJW-KBXCAEBGSA-N 1 0 308.425 4.824 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccco1 ZINC000576287253 341838378 /nfs/dbraw/zinc/83/83/78/341838378.db2.gz FPEGELYAZVOBGH-IAGOWNOFSA-N 1 0 303.446 4.758 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(F)c(F)c1 ZINC000480696233 517319224 /nfs/dbraw/zinc/31/92/24/517319224.db2.gz UUCCNZCFLJCVFF-OALUTQOASA-N 1 0 317.354 4.998 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000130351512 519820926 /nfs/dbraw/zinc/82/09/26/519820926.db2.gz ASDQDULLZZTVOC-INIZCTEOSA-N 1 0 322.330 4.657 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccco1 ZINC000286026354 335031577 /nfs/dbraw/zinc/03/15/77/335031577.db2.gz IYLYEMPBNHNGHX-HBFSDRIKSA-N 1 0 311.425 4.797 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccco1 ZINC000286026351 335032010 /nfs/dbraw/zinc/03/20/10/335032010.db2.gz IYLYEMPBNHNGHX-CMKODMSKSA-N 1 0 311.425 4.797 20 30 DJEDRO C=CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722947 183124893 /nfs/dbraw/zinc/12/48/93/183124893.db2.gz CGPCWQDHUUYFLN-UHFFFAOYSA-N 1 0 322.235 4.848 20 30 DJEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccco1 ZINC000287477535 335043974 /nfs/dbraw/zinc/04/39/74/335043974.db2.gz MSCFDPGPGGKMMC-BJLQDIEVSA-N 1 0 311.425 4.654 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)s1 ZINC000273520423 130131983 /nfs/dbraw/zinc/13/19/83/130131983.db2.gz QMRBKSOCSGVNDK-ZDUSSCGKSA-N 1 0 308.809 4.653 20 30 DJEDRO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000533521208 331565855 /nfs/dbraw/zinc/56/58/55/331565855.db2.gz FAVDDURJYUPEHI-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556606055 331718818 /nfs/dbraw/zinc/71/88/18/331718818.db2.gz QUZHZSJTEIAZQE-KXBFYZLASA-N 1 0 302.421 4.694 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000087758763 331792006 /nfs/dbraw/zinc/79/20/06/331792006.db2.gz HEKBNUUCABSCPO-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000584142879 331840960 /nfs/dbraw/zinc/84/09/60/331840960.db2.gz XNNLOTNXTMMIIQ-RTWAWAEBSA-N 1 0 304.437 4.841 20 30 DJEDRO CC[C@@H](Nc1cccc(C[NH+](CC)CC)c1)c1ccc(C#N)cc1 ZINC000584211899 331868568 /nfs/dbraw/zinc/86/85/68/331868568.db2.gz FSKFPLHUXJZPMI-OAQYLSRUSA-N 1 0 321.468 4.963 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)cc2C)cc1Cl ZINC000518272934 332004597 /nfs/dbraw/zinc/00/45/97/332004597.db2.gz WQECQJWJZXLKOM-UHFFFAOYSA-N 1 0 315.844 4.811 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000518275941 332004883 /nfs/dbraw/zinc/00/48/83/332004883.db2.gz YIAFZKVRYDVGIZ-NRFANRHFSA-N 1 0 307.437 4.882 20 30 DJEDRO C=CCOc1cccc(C[NH2+]Cc2cc3ccccc3s2)c1 ZINC000559307071 332022090 /nfs/dbraw/zinc/02/20/90/332022090.db2.gz MRJMRPXPEBIERU-UHFFFAOYSA-N 1 0 309.434 4.756 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000559339798 332029778 /nfs/dbraw/zinc/02/97/78/332029778.db2.gz SGOUHWLILUKGGG-AWEZNQCLSA-N 1 0 301.817 4.756 20 30 DJEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCCC(C)(C)C#N)s1 ZINC000409446897 332032577 /nfs/dbraw/zinc/03/25/77/332032577.db2.gz MMKGAUFXPMCODV-CQSZACIVSA-N 1 0 307.507 4.727 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000090664805 332092224 /nfs/dbraw/zinc/09/22/24/332092224.db2.gz BSAJBYLLUXFAGV-YJBOKZPZSA-N 1 0 323.396 4.599 20 30 DJEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665034 332092245 /nfs/dbraw/zinc/09/22/45/332092245.db2.gz FHNREWQIRGRYGK-NHCUHLMSSA-N 1 0 320.436 4.707 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664948 332092259 /nfs/dbraw/zinc/09/22/59/332092259.db2.gz LOQQGWCBJUUJHL-UXHICEINSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000090665754 332092381 /nfs/dbraw/zinc/09/23/81/332092381.db2.gz YVJVGVJNIGJQGD-ACJLOTCBSA-N 1 0 300.352 4.660 20 30 DJEDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000569558601 332138340 /nfs/dbraw/zinc/13/83/40/332138340.db2.gz ZMKYNNXDJUPVBF-FOIQADDNSA-N 1 0 320.436 4.604 20 30 DJEDRO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000569558603 332138473 /nfs/dbraw/zinc/13/84/73/332138473.db2.gz ZMKYNNXDJUPVBF-QRWLVFNGSA-N 1 0 320.436 4.604 20 30 DJEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447540 332202176 /nfs/dbraw/zinc/20/21/76/332202176.db2.gz ZSSXCHVBMOFTQH-AGIUHOORSA-N 1 0 311.256 4.596 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537969681 332245832 /nfs/dbraw/zinc/24/58/32/332245832.db2.gz LBDGXFFXUHVKTO-NWDGAFQWSA-N 1 0 304.434 4.873 20 30 DJEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(C)cc1 ZINC000236948083 332252083 /nfs/dbraw/zinc/25/20/83/332252083.db2.gz OWZNIBNZUGWDMI-NRFANRHFSA-N 1 0 322.452 4.919 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000559842024 332285246 /nfs/dbraw/zinc/28/52/46/332285246.db2.gz KLRQJSDGRGOLSI-JFIBYHEFSA-N 1 0 316.876 4.581 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000559919907 332293705 /nfs/dbraw/zinc/29/37/05/332293705.db2.gz STXXWAPXTRHAGQ-KBRIMQKVSA-N 1 0 310.828 4.808 20 30 DJEDRO N#CCCCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000237710429 332385955 /nfs/dbraw/zinc/38/59/55/332385955.db2.gz SDGUEBGQTJNRGQ-UHFFFAOYSA-N 1 0 316.351 4.541 20 30 DJEDRO N#CCCCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000237825846 332392934 /nfs/dbraw/zinc/39/29/34/332392934.db2.gz ZWYFIBFVFCTWAO-NRFANRHFSA-N 1 0 320.436 4.610 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427532488 332444850 /nfs/dbraw/zinc/44/48/50/332444850.db2.gz ZAEYOFFXBHSWHJ-MLGOLLRUSA-N 1 0 312.379 4.812 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1F ZINC000150869575 332447224 /nfs/dbraw/zinc/44/72/24/332447224.db2.gz ZEWIEVAKPJMJLX-INIZCTEOSA-N 1 0 320.408 4.775 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1F ZINC000150873412 332449039 /nfs/dbraw/zinc/44/90/39/332449039.db2.gz PUDRZLDODIKVFN-MRXNPFEDSA-N 1 0 320.408 4.775 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000569630219 332474541 /nfs/dbraw/zinc/47/45/41/332474541.db2.gz WFNPYEJSOJSHPS-HZMBPMFUSA-N 1 0 302.830 4.611 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000128150317 332491205 /nfs/dbraw/zinc/49/12/05/332491205.db2.gz WCEVBJFKEQVECO-HRCADAONSA-N 1 0 310.363 4.742 20 30 DJEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)s1 ZINC000561981205 332525846 /nfs/dbraw/zinc/52/58/46/332525846.db2.gz NHNSMPBLPYFOGZ-UHFFFAOYSA-N 1 0 304.418 4.577 20 30 DJEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000562047535 332536561 /nfs/dbraw/zinc/53/65/61/332536561.db2.gz LAHHBJGFSWWJLX-KGLIPLIRSA-N 1 0 315.486 4.708 20 30 DJEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2Cl)c(C(F)(F)F)c1 ZINC000562078564 332543108 /nfs/dbraw/zinc/54/31/08/332543108.db2.gz MRKCIQKNYGAIFZ-UHFFFAOYSA-N 1 0 324.733 4.520 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000566826133 332581247 /nfs/dbraw/zinc/58/12/47/332581247.db2.gz ZQYDNWZDMHHLJB-ZDUSSCGKSA-N 1 0 318.342 4.622 20 30 DJEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000525695761 332619587 /nfs/dbraw/zinc/61/95/87/332619587.db2.gz SJFGIMVFSJTCEK-UPRAQXHNSA-N 1 0 310.828 4.699 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000318430453 332721887 /nfs/dbraw/zinc/72/18/87/332721887.db2.gz WFXZQHVRLALGQZ-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)cc1F ZINC000570438662 332755194 /nfs/dbraw/zinc/75/51/94/332755194.db2.gz JHSZJJUKVVCCHH-LBPRGKRZSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000462535935 332973330 /nfs/dbraw/zinc/97/33/30/332973330.db2.gz CZRNTWYHJUYHMM-XOBRGWDASA-N 1 0 308.400 4.501 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccccc2OC)cc1 ZINC000378920748 333063646 /nfs/dbraw/zinc/06/36/46/333063646.db2.gz YJHCMLSQSDQOSC-IBGZPJMESA-N 1 0 311.425 4.501 20 30 DJEDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CCCSCC#N)cc1 ZINC000466745051 333082731 /nfs/dbraw/zinc/08/27/31/333082731.db2.gz XVCBTXBLKLNKKK-GOSISDBHSA-N 1 0 316.514 4.768 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000174814307 333091019 /nfs/dbraw/zinc/09/10/19/333091019.db2.gz WGJKDDJYCGORPB-UHFFFAOYSA-N 1 0 309.457 4.677 20 30 DJEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Sc2ccccc2)cc1 ZINC000462740561 333104130 /nfs/dbraw/zinc/10/41/30/333104130.db2.gz IDMBXHQJEVFFMK-MRXNPFEDSA-N 1 0 313.466 4.522 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180538970 333162993 /nfs/dbraw/zinc/16/29/93/333162993.db2.gz VATIFZMHBUZXML-MGPUTAFESA-N 1 0 320.436 4.662 20 30 DJEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(OCC#N)cc1 ZINC000181685289 333171488 /nfs/dbraw/zinc/17/14/88/333171488.db2.gz BCOKTFZEWKCIFF-HRAATJIYSA-N 1 0 320.436 4.781 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000181938553 333173571 /nfs/dbraw/zinc/17/35/71/333173571.db2.gz OKADIZXFJRAOGV-QGZVFWFLSA-N 1 0 318.342 4.840 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000182090040 333175540 /nfs/dbraw/zinc/17/55/40/333175540.db2.gz FERZNLYKXKZVNU-QYWGDWMGSA-N 1 0 320.436 4.563 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000182090003 333175618 /nfs/dbraw/zinc/17/56/18/333175618.db2.gz FERZNLYKXKZVNU-CKJXQJPGSA-N 1 0 320.436 4.563 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430736065 335127023 /nfs/dbraw/zinc/12/70/23/335127023.db2.gz BXLDVDMTHMKOBA-BBRMVZONSA-N 1 0 323.267 4.913 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC000185843584 333214969 /nfs/dbraw/zinc/21/49/69/333214969.db2.gz RHDKOBVRQLSJIF-OLZOCXBDSA-N 1 0 302.468 4.571 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000337364428 333447296 /nfs/dbraw/zinc/44/72/96/333447296.db2.gz ASEWCHLOVJVVHW-JBACZVJFSA-N 1 0 319.452 4.742 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000534235600 333568192 /nfs/dbraw/zinc/56/81/92/333568192.db2.gz OFAWVNKDLPQINX-ORAYPTAESA-N 1 0 310.828 4.940 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)c1ccc(C#N)cc1 ZINC000534235536 333568341 /nfs/dbraw/zinc/56/83/41/333568341.db2.gz OFAWVNKDLPQINX-BFUOFWGJSA-N 1 0 310.828 4.940 20 30 DJEDRO C[C@H](CCC#N)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000411397463 333664470 /nfs/dbraw/zinc/66/44/70/333664470.db2.gz HLHVOHKYMAGNKV-CYBMUJFWSA-N 1 0 308.878 4.589 20 30 DJEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000411510437 333685920 /nfs/dbraw/zinc/68/59/20/333685920.db2.gz YNHFHSUHEDOCHD-HOTGVXAUSA-N 1 0 303.409 4.568 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000411615612 333698078 /nfs/dbraw/zinc/69/80/78/333698078.db2.gz RTHVWGCBQGRDRQ-XPKDYRNWSA-N 1 0 310.363 4.623 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000411723036 333703817 /nfs/dbraw/zinc/70/38/17/333703817.db2.gz WAPZSKCNLOZJDB-UHOFOFEASA-N 1 0 310.363 4.623 20 30 DJEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000430039819 333720238 /nfs/dbraw/zinc/72/02/38/333720238.db2.gz MZBCCXJORAROAM-UHFFFAOYSA-N 1 0 316.857 4.852 20 30 DJEDRO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(CCC#N)CC1 ZINC000571519103 333813698 /nfs/dbraw/zinc/81/36/98/333813698.db2.gz IRSCXPLYMMKMOA-ZDUSSCGKSA-N 1 0 321.262 4.526 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000414251631 333920869 /nfs/dbraw/zinc/92/08/69/333920869.db2.gz ACJFHCMLLZXBGE-ZDUSSCGKSA-N 1 0 318.342 4.736 20 30 DJEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000271611486 334024695 /nfs/dbraw/zinc/02/46/95/334024695.db2.gz BOPIZCMTJLVEAG-MRXNPFEDSA-N 1 0 322.452 4.656 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000278391914 334095934 /nfs/dbraw/zinc/09/59/34/334095934.db2.gz DWGPKCGWMQJVCX-PMACEKPBSA-N 1 0 303.409 4.644 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000280737763 334119705 /nfs/dbraw/zinc/11/97/05/334119705.db2.gz WNYWZKZJVWEWJQ-KOMQPUFPSA-N 1 0 324.390 4.871 20 30 DJEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282127584 334131767 /nfs/dbraw/zinc/13/17/67/334131767.db2.gz YKQSKNJJNJDUKY-LJQANCHMSA-N 1 0 314.473 4.560 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000284325593 334143111 /nfs/dbraw/zinc/14/31/11/334143111.db2.gz MAZUTWWSBFDRCW-HZPDHXFCSA-N 1 0 310.363 4.625 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Oc2cccnc2)cc1 ZINC000287160105 334156462 /nfs/dbraw/zinc/15/64/62/334156462.db2.gz BRUJTVYSBZTNON-BQFCYCMXSA-N 1 0 321.424 4.607 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721048 334191384 /nfs/dbraw/zinc/19/13/84/334191384.db2.gz APXOAECJSUAKSQ-HIFRSBDPSA-N 1 0 320.889 4.589 20 30 DJEDRO COc1ccccc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340431065 334198528 /nfs/dbraw/zinc/19/85/28/334198528.db2.gz JITLGHHXKGPPJF-QFBILLFUSA-N 1 0 308.425 4.781 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430883 334199163 /nfs/dbraw/zinc/19/91/63/334199163.db2.gz HZIBBCHFGZUBGN-PMACEKPBSA-N 1 0 320.436 4.794 20 30 DJEDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340433542 334199576 /nfs/dbraw/zinc/19/95/76/334199576.db2.gz PHHCVVOPKKEAFM-OXQOHEQNSA-N 1 0 310.416 4.781 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436711 334200700 /nfs/dbraw/zinc/20/07/00/334200700.db2.gz SWSODRSTDPFJOR-WOJBJXKFSA-N 1 0 308.400 4.838 20 30 DJEDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000340446024 334203477 /nfs/dbraw/zinc/20/34/77/334203477.db2.gz NDLUNSBIHXTLSA-PBHICJAKSA-N 1 0 313.470 4.846 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)COC2 ZINC000340445195 334203756 /nfs/dbraw/zinc/20/37/56/334203756.db2.gz LVGWQDJSAYKGQS-KKSFZXQISA-N 1 0 320.436 4.803 20 30 DJEDRO CCC1(CC)[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@@H]1OC ZINC000340445474 334203965 /nfs/dbraw/zinc/20/39/65/334203965.db2.gz DOKNSWLMUQMITG-QRVBRYPASA-N 1 0 314.473 4.605 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000340448352 334204648 /nfs/dbraw/zinc/20/46/48/334204648.db2.gz RRCUSQYFDUFXSY-RTWAWAEBSA-N 1 0 304.437 4.569 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449733 334205432 /nfs/dbraw/zinc/20/54/32/334205432.db2.gz WOPUXYNTLCBNGJ-PMACEKPBSA-N 1 0 308.400 4.838 20 30 DJEDRO COc1ccsc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340451830 334205870 /nfs/dbraw/zinc/20/58/70/334205870.db2.gz OYLBKPXEUMHJBN-ZBFHGGJFSA-N 1 0 314.454 4.842 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453940 334206452 /nfs/dbraw/zinc/20/64/52/334206452.db2.gz SDULXHZBBYZFKE-OXJNMPFZSA-N 1 0 303.409 4.644 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCSCC1 ZINC000340453924 334206477 /nfs/dbraw/zinc/20/64/77/334206477.db2.gz RZZJTGCFIKJIOH-CRAIPNDOSA-N 1 0 302.487 4.543 20 30 DJEDRO COc1cccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000340456237 334207105 /nfs/dbraw/zinc/20/71/05/334207105.db2.gz WLERZWOASPPUSO-OXJNMPFZSA-N 1 0 308.425 4.781 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340454922 334207279 /nfs/dbraw/zinc/20/72/79/334207279.db2.gz TUYATOQSSNYZTI-JXFKEZNVSA-N 1 0 308.425 4.781 20 30 DJEDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000340457857 334207656 /nfs/dbraw/zinc/20/76/56/334207656.db2.gz WLERZWOASPPUSO-UZLBHIALSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OC(C)(C)C)cc1 ZINC000295861473 334227999 /nfs/dbraw/zinc/22/79/99/334227999.db2.gz BNJBGMXHUQRMLQ-VYDXJSESSA-N 1 0 300.446 4.597 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000048367598 334279564 /nfs/dbraw/zinc/27/95/64/334279564.db2.gz QARLUKOSNKNTOB-NRFANRHFSA-N 1 0 316.379 4.577 20 30 DJEDRO N#CCC[C@@H](Nc1cc[nH+]c2cc(F)ccc12)c1ccccc1 ZINC000164320229 334299171 /nfs/dbraw/zinc/29/91/71/334299171.db2.gz CCLWRHCVYIAXFB-QGZVFWFLSA-N 1 0 305.356 4.831 20 30 DJEDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951128 334308941 /nfs/dbraw/zinc/30/89/41/334308941.db2.gz AKORUZJWAQFLBJ-FOIQADDNSA-N 1 0 308.425 4.759 20 30 DJEDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951129 334309003 /nfs/dbraw/zinc/30/90/03/334309003.db2.gz AKORUZJWAQFLBJ-MGPUTAFESA-N 1 0 308.425 4.759 20 30 DJEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531951499 334309253 /nfs/dbraw/zinc/30/92/53/334309253.db2.gz NQGROYJIIUGYKY-STQMWFEESA-N 1 0 318.873 4.945 20 30 DJEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2CCCSCC#N)cc1 ZINC000534728319 334332467 /nfs/dbraw/zinc/33/24/67/334332467.db2.gz KYVUSLMZHOCHTB-GOSISDBHSA-N 1 0 302.487 4.594 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(C(F)(F)F)cc1 ZINC000342192831 334516190 /nfs/dbraw/zinc/51/61/90/334516190.db2.gz LZDDCLOXZNTQFA-MRXNPFEDSA-N 1 0 324.346 4.799 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000343187257 334644001 /nfs/dbraw/zinc/64/40/01/334644001.db2.gz FWNOQMNXTFHVAL-QGZVFWFLSA-N 1 0 322.374 4.841 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(C2CC2)cc1 ZINC000417362285 334739336 /nfs/dbraw/zinc/73/93/36/334739336.db2.gz ZXTNJMMKCHFTDT-KGLIPLIRSA-N 1 0 308.400 4.987 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(C2CC2)cc1 ZINC000417362283 334739350 /nfs/dbraw/zinc/73/93/50/334739350.db2.gz ZXTNJMMKCHFTDT-KBPBESRZSA-N 1 0 308.400 4.987 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000417370998 334764637 /nfs/dbraw/zinc/76/46/37/334764637.db2.gz SYOGJBVHMAPZIC-LEWJYISDSA-N 1 0 315.420 4.548 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443967607 338464602 /nfs/dbraw/zinc/46/46/02/338464602.db2.gz OQBIVWCKVKLKFC-GOSISDBHSA-N 1 0 308.425 4.571 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000344284209 335236326 /nfs/dbraw/zinc/23/63/26/335236326.db2.gz CCOHTIMRDLGORR-PMACEKPBSA-N 1 0 308.400 4.838 20 30 DJEDRO N#Cc1ccc(F)c(C[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000344293170 335237246 /nfs/dbraw/zinc/23/72/46/335237246.db2.gz HKDSXAUSAQVLGL-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000444668090 338480699 /nfs/dbraw/zinc/48/06/99/338480699.db2.gz DKGAYUIEAMINRO-OAHLLOKOSA-N 1 0 312.379 4.990 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000348222930 335562736 /nfs/dbraw/zinc/56/27/36/335562736.db2.gz WRLKCHRXWWMTRG-INIZCTEOSA-N 1 0 307.441 4.729 20 30 DJEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1OC(F)F ZINC000348203347 335565517 /nfs/dbraw/zinc/56/55/17/335565517.db2.gz BXDUBXZZKHJWIS-CQSZACIVSA-N 1 0 310.388 4.659 20 30 DJEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(OC(F)F)cc1 ZINC000348235522 335572646 /nfs/dbraw/zinc/57/26/46/335572646.db2.gz ZWRWNTUXAVOGJQ-OAHLLOKOSA-N 1 0 310.388 4.659 20 30 DJEDRO C[C@@H](Cc1ccsc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000535784961 335768821 /nfs/dbraw/zinc/76/88/21/335768821.db2.gz HSWODEHHTDVJDO-DZIBYMRMSA-N 1 0 324.493 4.673 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000527328929 335812578 /nfs/dbraw/zinc/81/25/78/335812578.db2.gz COUKZNNRGYQYKL-HZPDHXFCSA-N 1 0 324.390 4.871 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccccc1COC(C)C)c1ccc(C#N)cc1 ZINC000519623313 335882673 /nfs/dbraw/zinc/88/26/73/335882673.db2.gz MUGBUSHTSQARFP-NRFANRHFSA-N 1 0 322.452 4.724 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)CC2 ZINC000519794940 335897435 /nfs/dbraw/zinc/89/74/35/335897435.db2.gz QJPVXRGYZLAFSK-SFTDATJTSA-N 1 0 302.421 4.677 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c1F ZINC000351105305 336014033 /nfs/dbraw/zinc/01/40/33/336014033.db2.gz VJMNRRQAZXSZEN-LJQANCHMSA-N 1 0 308.400 4.718 20 30 DJEDRO CSc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000352797674 336237713 /nfs/dbraw/zinc/23/77/13/336237713.db2.gz MSWBXYAOZGPJSY-HNNXBMFYSA-N 1 0 302.468 4.605 20 30 DJEDRO CC([NH2+]Cc1cccc(C#N)c1)(c1ccccc1)c1ccccc1 ZINC000103346816 336240096 /nfs/dbraw/zinc/24/00/96/336240096.db2.gz OYEFOIYXSOUEBT-UHFFFAOYSA-N 1 0 312.416 4.612 20 30 DJEDRO Cc1cccc([C@H]([NH2+]Cc2ccc(C#N)cc2F)C(C)(C)C)c1 ZINC000532570111 336255907 /nfs/dbraw/zinc/25/59/07/336255907.db2.gz SXEWOJYZYZMWHI-IBGZPJMESA-N 1 0 310.416 4.883 20 30 DJEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000532570572 336255918 /nfs/dbraw/zinc/25/59/18/336255918.db2.gz AUPKTGHNGTXFON-ZDUSSCGKSA-N 1 0 305.447 4.537 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000192936046 336285231 /nfs/dbraw/zinc/28/52/31/336285231.db2.gz RBCLSWACFCNCQS-UONOGXRCSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000192975247 336286261 /nfs/dbraw/zinc/28/62/61/336286261.db2.gz LRTJUIXDWAXBMC-STQMWFEESA-N 1 0 316.351 4.571 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016914 336287040 /nfs/dbraw/zinc/28/70/40/336287040.db2.gz ZWRRMMJWIUXTDD-ZIAGYGMSSA-N 1 0 314.454 4.679 20 30 DJEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000353912668 336447435 /nfs/dbraw/zinc/44/74/35/336447435.db2.gz FRLROWJLGCVYCZ-LZQZEXGQSA-N 1 0 308.425 4.928 20 30 DJEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000353912665 336447474 /nfs/dbraw/zinc/44/74/74/336447474.db2.gz FRLROWJLGCVYCZ-AYOQOUSVSA-N 1 0 308.425 4.928 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353950515 336450835 /nfs/dbraw/zinc/45/08/35/336450835.db2.gz CJVSXRKCXNSCSH-INIZCTEOSA-N 1 0 322.374 4.648 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000359307252 336666900 /nfs/dbraw/zinc/66/69/00/336666900.db2.gz UILHDBDPRAJIOA-BEFAXECRSA-N 1 0 312.844 4.906 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1 ZINC000359700337 336684110 /nfs/dbraw/zinc/68/41/10/336684110.db2.gz NVBYRXHQMJJSNQ-HXUWFJFHSA-N 1 0 317.436 4.669 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-c2ccncc2)cc1 ZINC000176980854 337153920 /nfs/dbraw/zinc/15/39/20/337153920.db2.gz FZRJQRQVVFAPHR-AWEZNQCLSA-N 1 0 319.433 4.533 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1OC ZINC000181575600 337183032 /nfs/dbraw/zinc/18/30/32/337183032.db2.gz AFOHHTTZPFFHJA-MOPGFXCFSA-N 1 0 308.425 4.781 20 30 DJEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000583276711 337300719 /nfs/dbraw/zinc/30/07/19/337300719.db2.gz OBCIKSFHFOFYAJ-NJAFHUGGSA-N 1 0 304.865 4.579 20 30 DJEDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000399224186 337314383 /nfs/dbraw/zinc/31/43/83/337314383.db2.gz DITMYNSJEGWFKJ-KRWDZBQOSA-N 1 0 304.437 4.553 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cc2cc(C)ccc2o1)c1ccc(C#N)cc1 ZINC000584481098 337348791 /nfs/dbraw/zinc/34/87/91/337348791.db2.gz AKOVWUYGYKEZNZ-LJQANCHMSA-N 1 0 304.393 4.854 20 30 DJEDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)C2CCCC2)o1 ZINC000421867815 337656751 /nfs/dbraw/zinc/65/67/51/337656751.db2.gz CJLDRIOSYNSFLB-KRWDZBQOSA-N 1 0 300.427 4.542 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)c(F)c1 ZINC000527990801 337778339 /nfs/dbraw/zinc/77/83/39/337778339.db2.gz BIBMTOPAFVYGND-ADLMAVQZSA-N 1 0 314.791 4.689 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000424327917 337821677 /nfs/dbraw/zinc/82/16/77/337821677.db2.gz NHSWYEIGSTUNIN-DXEWXGHRSA-N 1 0 322.374 4.623 20 30 DJEDRO N#CCCC[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000537130963 337894511 /nfs/dbraw/zinc/89/45/11/337894511.db2.gz IMHPPUMGANGLLY-SFTDATJTSA-N 1 0 304.437 4.741 20 30 DJEDRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537408161 337933849 /nfs/dbraw/zinc/93/38/49/337933849.db2.gz SNVGTWLXRHTLQX-UONOGXRCSA-N 1 0 314.429 4.529 20 30 DJEDRO CC1(C)CC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384441 337934395 /nfs/dbraw/zinc/93/43/95/337934395.db2.gz RQGANHJQEUYBCJ-PXNSSMCTSA-N 1 0 316.448 4.948 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000514741917 337969871 /nfs/dbraw/zinc/96/98/71/337969871.db2.gz VXBFXHNYUINQEV-PMPSAXMXSA-N 1 0 310.363 4.623 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314487 338026470 /nfs/dbraw/zinc/02/64/70/338026470.db2.gz XOTQXZGDBUQZIK-BEFAXECRSA-N 1 0 308.400 4.665 20 30 DJEDRO CC(C)C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccs1 ZINC000428345485 338048012 /nfs/dbraw/zinc/04/80/12/338048012.db2.gz CJIHGIYQQDAVAA-INIZCTEOSA-N 1 0 302.418 4.636 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000430723796 338112346 /nfs/dbraw/zinc/11/23/46/338112346.db2.gz KTOVSQZTCOXEOJ-HNNXBMFYSA-N 1 0 324.399 4.962 20 30 DJEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000430740864 338112962 /nfs/dbraw/zinc/11/29/62/338112962.db2.gz QSVIFNKWDIZJEI-OAHLLOKOSA-N 1 0 310.363 4.830 20 30 DJEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430750081 338113447 /nfs/dbraw/zinc/11/34/47/338113447.db2.gz YGBCODYJFONULV-HNNXBMFYSA-N 1 0 310.363 4.686 20 30 DJEDRO COc1cccc(CCC[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433011265 338176149 /nfs/dbraw/zinc/17/61/49/338176149.db2.gz NTRZBQLBZHZLEH-NRFANRHFSA-N 1 0 322.452 4.653 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCc1ccccc1Cl)c1ccccc1 ZINC000433012301 338176240 /nfs/dbraw/zinc/17/62/40/338176240.db2.gz JNLRMTIEBSCVAA-IBGZPJMESA-N 1 0 312.844 4.907 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000433020718 338176589 /nfs/dbraw/zinc/17/65/89/338176589.db2.gz DFDPMEDVGJTMCA-PGRDOPGGSA-N 1 0 318.464 4.816 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000433020716 338176613 /nfs/dbraw/zinc/17/66/13/338176613.db2.gz DFDPMEDVGJTMCA-GCJKJVERSA-N 1 0 318.464 4.816 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000433024870 338176945 /nfs/dbraw/zinc/17/69/45/338176945.db2.gz ZNCNQSSNYFWQSD-GOSISDBHSA-N 1 0 314.379 4.532 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCCCC1CCOCC1)c1ccccc1 ZINC000433026312 338177111 /nfs/dbraw/zinc/17/71/11/338177111.db2.gz PCSZQVBQGCDEHY-HXUWFJFHSA-N 1 0 314.473 4.608 20 30 DJEDRO CC(C)(C#N)CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000434907331 338227869 /nfs/dbraw/zinc/22/78/69/338227869.db2.gz WZOVDPNLQVYVIB-UHFFFAOYSA-N 1 0 302.849 4.759 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000436287996 338266255 /nfs/dbraw/zinc/26/62/55/338266255.db2.gz UMIZABMYCQILSN-WQGACYEGSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000436291935 338266605 /nfs/dbraw/zinc/26/66/05/338266605.db2.gz QZWOHKZNHRPUGY-VPWXQRGCSA-N 1 0 311.425 4.578 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000436302950 338267716 /nfs/dbraw/zinc/26/77/16/338267716.db2.gz BBGTZGPVUIZTPK-DBVUQKKJSA-N 1 0 313.441 4.701 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000436308933 338268344 /nfs/dbraw/zinc/26/83/44/338268344.db2.gz RDVDYCPOUHVQAP-VBHSOAQHSA-N 1 0 319.832 4.718 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000436313746 338268629 /nfs/dbraw/zinc/26/86/29/338268629.db2.gz XMCBPJKOVPFWQH-MKBNYLNASA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000436318056 338268868 /nfs/dbraw/zinc/26/88/68/338268868.db2.gz XABMKEMDQVIEBF-NJAFHUGGSA-N 1 0 307.865 4.608 20 30 DJEDRO C=CCC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000438984868 338357793 /nfs/dbraw/zinc/35/77/93/338357793.db2.gz MCSRHZKBZUVMMP-LAUBAEHRSA-N 1 0 312.501 4.546 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439317036 338367007 /nfs/dbraw/zinc/36/70/07/338367007.db2.gz LZLLFBBTUGUNTN-UHFFFAOYSA-N 1 0 322.855 4.931 20 30 DJEDRO C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(C#N)cc1Cl ZINC000439437652 338369422 /nfs/dbraw/zinc/36/94/22/338369422.db2.gz ZTNRELDHSFDUTI-NSHDSACASA-N 1 0 320.770 4.683 20 30 DJEDRO C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(C#N)cc1Cl ZINC000439437651 338369437 /nfs/dbraw/zinc/36/94/37/338369437.db2.gz ZTNRELDHSFDUTI-LLVKDONJSA-N 1 0 320.770 4.683 20 30 DJEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 ZINC000439456829 338370132 /nfs/dbraw/zinc/37/01/32/338370132.db2.gz ABFVQGCGUMNSHM-UHFFFAOYSA-N 1 0 319.235 4.890 20 30 DJEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc(C#N)cc1 ZINC000439556785 338372909 /nfs/dbraw/zinc/37/29/09/338372909.db2.gz HQYSYXUUWMOGQM-KRWDZBQOSA-N 1 0 304.437 4.721 20 30 DJEDRO COc1cc(C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)ccc1C#N ZINC000440615441 338392485 /nfs/dbraw/zinc/39/24/85/338392485.db2.gz HRZSOJKPYCVWLH-FQEVSTJZSA-N 1 0 322.452 4.752 20 30 DJEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000441380048 338411165 /nfs/dbraw/zinc/41/11/65/338411165.db2.gz OWLPGIFANYSXDS-GOSISDBHSA-N 1 0 310.466 4.813 20 30 DJEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000441390610 338411579 /nfs/dbraw/zinc/41/15/79/338411579.db2.gz XUGJMSYFZMEWJN-UHFFFAOYSA-N 1 0 304.437 4.773 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000442849310 338434606 /nfs/dbraw/zinc/43/46/06/338434606.db2.gz BXXKMJNXSBMPRJ-XVDPQKCLSA-N 1 0 316.876 4.896 20 30 DJEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CCC(C#N)CC1 ZINC000442856173 338435123 /nfs/dbraw/zinc/43/51/23/338435123.db2.gz OBWITPJCZKDFTF-WLYUNCDWSA-N 1 0 324.390 4.556 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000442859632 338435437 /nfs/dbraw/zinc/43/54/37/338435437.db2.gz KANIKLPCZJRSMO-VXGBXAGGSA-N 1 0 309.240 4.654 20 30 DJEDRO Cc1cc([C@H]([NH2+]CC2CCC(C#N)CC2)C2CC2)ccc1F ZINC000442866282 338436086 /nfs/dbraw/zinc/43/60/86/338436086.db2.gz KVCVGPZFKMBTFC-JFIBYHEFSA-N 1 0 300.421 4.505 20 30 DJEDRO Cc1cc([C@@H]([NH2+]CC2CCC(C#N)CC2)C2CC2)ccc1F ZINC000442866283 338436117 /nfs/dbraw/zinc/43/61/17/338436117.db2.gz KVCVGPZFKMBTFC-ZOJXTTQQSA-N 1 0 300.421 4.505 20 30 DJEDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442872349 338436815 /nfs/dbraw/zinc/43/68/15/338436815.db2.gz YPIXWFVVLHKKAE-LRVUVFPRSA-N 1 0 319.518 4.730 20 30 DJEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000446758097 338535174 /nfs/dbraw/zinc/53/51/74/338535174.db2.gz FUFOFIOLXTZRBC-SJLPKXTDSA-N 1 0 322.452 4.799 20 30 DJEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000446849717 338538603 /nfs/dbraw/zinc/53/86/03/338538603.db2.gz PWTGCOZYCSZQQD-FMKPAKJESA-N 1 0 310.363 4.661 20 30 DJEDRO CC[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000447525644 338553959 /nfs/dbraw/zinc/55/39/59/338553959.db2.gz APAWPEZBMFKKPI-HXUWFJFHSA-N 1 0 317.436 4.713 20 30 DJEDRO CCCOCc1ccccc1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447528970 338554195 /nfs/dbraw/zinc/55/41/95/338554195.db2.gz KFDOPYHCCCIHGA-OAQYLSRUSA-N 1 0 322.452 4.726 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539876 338555332 /nfs/dbraw/zinc/55/53/32/338555332.db2.gz HZNDKEWQDAROOZ-NHCUHLMSSA-N 1 0 320.436 4.759 20 30 DJEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(-c2cccnc2)cc1 ZINC000449174934 338599453 /nfs/dbraw/zinc/59/94/53/338599453.db2.gz IZURDTYIIVBEGS-YMTQGWHGSA-N 1 0 319.452 4.872 20 30 DJEDRO CC1(C#N)CCC([NH2+]C2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000449232628 338604839 /nfs/dbraw/zinc/60/48/39/338604839.db2.gz IOSZLQSPFALPJD-UHFFFAOYSA-N 1 0 314.448 4.914 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000449297639 338610703 /nfs/dbraw/zinc/61/07/03/338610703.db2.gz GZLHOOCFPSTAKA-BARLLCKDSA-N 1 0 300.421 4.524 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000449447168 338624975 /nfs/dbraw/zinc/62/49/75/338624975.db2.gz WOIJQOCXVCMYSE-DNUAJFIVSA-N 1 0 302.849 4.648 20 30 DJEDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CCCC2)o1 ZINC000453387937 338836276 /nfs/dbraw/zinc/83/62/76/338836276.db2.gz QEQVRFYQVKSPJA-IBGZPJMESA-N 1 0 312.388 4.620 20 30 DJEDRO CC[C@@H](CC#N)[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065297 339071701 /nfs/dbraw/zinc/07/17/01/339071701.db2.gz MBCKJBWKJROXGZ-SFTDATJTSA-N 1 0 306.453 4.512 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(c2cccc(F)c2)CCCCC1 ZINC000462371370 339077138 /nfs/dbraw/zinc/07/71/38/339077138.db2.gz VKFYCSFMXVVSSJ-UHFFFAOYSA-N 1 0 316.464 4.947 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)Sc1ccccc1 ZINC000462736267 339085714 /nfs/dbraw/zinc/08/57/14/339085714.db2.gz DURGZWDKIGKDCN-INIZCTEOSA-N 1 0 313.466 4.522 20 30 DJEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101163 339105754 /nfs/dbraw/zinc/10/57/54/339105754.db2.gz CWUYSFBVLYNCGP-FNAHDJPLSA-N 1 0 316.448 4.562 20 30 DJEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463233793 339110743 /nfs/dbraw/zinc/11/07/43/339110743.db2.gz FEFQJFAEWCDFFQ-AGIUHOORSA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236967 339110969 /nfs/dbraw/zinc/11/09/69/339110969.db2.gz KJRCUKKQRSARAR-SIXWZSSISA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237132 339110999 /nfs/dbraw/zinc/11/09/99/339110999.db2.gz KFKBCVWRKZWVNS-LVCYWYKZSA-N 1 0 322.427 4.781 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3cccs3)CCCCC2)C1 ZINC000463238160 339111142 /nfs/dbraw/zinc/11/11/42/339111142.db2.gz ZHAGWZITZCLURU-JKSUJKDBSA-N 1 0 302.487 4.622 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000463240029 339111291 /nfs/dbraw/zinc/11/12/91/339111291.db2.gz HPEXBXSSDXQMMU-GHTZIAJQSA-N 1 0 304.437 4.568 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000463247108 339111862 /nfs/dbraw/zinc/11/18/62/339111862.db2.gz UWSANVYQVLVENJ-MDASCCDHSA-N 1 0 300.421 4.729 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463288131 339113497 /nfs/dbraw/zinc/11/34/97/339113497.db2.gz LTQGTXQRZBULSQ-JMSVASOKSA-N 1 0 311.256 4.596 20 30 DJEDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)cc1 ZINC000463298598 339114111 /nfs/dbraw/zinc/11/41/11/339114111.db2.gz DOMKWULITBTEHZ-FXAWDEMLSA-N 1 0 320.436 4.534 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304710 339114264 /nfs/dbraw/zinc/11/42/64/339114264.db2.gz SDAJSZPSTHCRBU-ZOBUZTSGSA-N 1 0 302.487 4.920 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304705 339114275 /nfs/dbraw/zinc/11/42/75/339114275.db2.gz SDAJSZPSTHCRBU-YQQAZPJKSA-N 1 0 302.487 4.920 20 30 DJEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000463904055 339128526 /nfs/dbraw/zinc/12/85/26/339128526.db2.gz HHTPJKYQLUUJST-YWZLYKJASA-N 1 0 310.416 4.615 20 30 DJEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCSCC#N ZINC000466702574 339213560 /nfs/dbraw/zinc/21/35/60/339213560.db2.gz CYYQTFXAHXXYHY-NSHDSACASA-N 1 0 317.285 4.633 20 30 DJEDRO N#CCSCCC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000466725784 339214427 /nfs/dbraw/zinc/21/44/27/339214427.db2.gz YYTJLGSKJKANID-KRWDZBQOSA-N 1 0 322.905 4.904 20 30 DJEDRO N#CCCCC[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466953977 339222589 /nfs/dbraw/zinc/22/25/89/339222589.db2.gz YRCDCSZVCGSDHM-INIZCTEOSA-N 1 0 312.482 4.850 20 30 DJEDRO C=CCC[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000467290717 339230054 /nfs/dbraw/zinc/23/00/54/339230054.db2.gz RTGYUVHPQFENLS-UHFFFAOYSA-N 1 0 322.408 4.511 20 30 DJEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000467376102 339235300 /nfs/dbraw/zinc/23/53/00/339235300.db2.gz IMTHBTBDXAVZHP-NSISKUIASA-N 1 0 319.452 4.639 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000467545273 339241738 /nfs/dbraw/zinc/24/17/38/339241738.db2.gz ZMDXWAQYZIMWRA-UHFFFAOYSA-N 1 0 322.855 4.931 20 30 DJEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736808 339245180 /nfs/dbraw/zinc/24/51/80/339245180.db2.gz XYCJDPXLPRARTC-GHMZBOCLSA-N 1 0 306.397 4.947 20 30 DJEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468287734 339259002 /nfs/dbraw/zinc/25/90/02/339259002.db2.gz HIKSSEZYKFZKLG-ZDUSSCGKSA-N 1 0 308.356 4.637 20 30 DJEDRO CC(C)CC[N@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000468406552 339262237 /nfs/dbraw/zinc/26/22/37/339262237.db2.gz CMSFCOBQJOBQFE-UHFFFAOYSA-N 1 0 304.400 4.617 20 30 DJEDRO C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(F)ccc1C#N ZINC000468886925 339273736 /nfs/dbraw/zinc/27/37/36/339273736.db2.gz HNXMDRRMXKIKBO-ZDUSSCGKSA-N 1 0 308.356 4.637 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)c1 ZINC000469048527 339278597 /nfs/dbraw/zinc/27/85/97/339278597.db2.gz STTITSIHACEIKI-IBGZPJMESA-N 1 0 310.828 4.843 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000470549563 339321671 /nfs/dbraw/zinc/32/16/71/339321671.db2.gz YTWBVDZTIXABNZ-UHFFFAOYSA-N 1 0 318.411 4.774 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000470719070 339326031 /nfs/dbraw/zinc/32/60/31/339326031.db2.gz ZVYBFXIXUYSNPK-UHFFFAOYSA-N 1 0 314.379 4.908 20 30 DJEDRO COc1ccc([C@H]2CCCCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000471721861 339352374 /nfs/dbraw/zinc/35/23/74/339352374.db2.gz ZLIPPAIJMMPSDG-LJQANCHMSA-N 1 0 314.473 4.942 20 30 DJEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCCC(C)(C)C#N ZINC000472246968 339367509 /nfs/dbraw/zinc/36/75/09/339367509.db2.gz NMIWPXCKXFDDJS-GOSISDBHSA-N 1 0 304.453 4.655 20 30 DJEDRO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000477675696 339499073 /nfs/dbraw/zinc/49/90/73/339499073.db2.gz UCVGPQNKYWCJMU-UHFFFAOYSA-N 1 0 308.400 4.647 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1F ZINC000479483123 339537521 /nfs/dbraw/zinc/53/75/21/339537521.db2.gz LQLKURSESOYCET-BLVKFPJESA-N 1 0 312.363 4.565 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(F)c(F)c1 ZINC000480677374 339583046 /nfs/dbraw/zinc/58/30/46/339583046.db2.gz QNJCURIMJCOGJC-OALUTQOASA-N 1 0 317.354 4.998 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(Cl)c1 ZINC000481652588 339608771 /nfs/dbraw/zinc/60/87/71/339608771.db2.gz SKOTZFAPWLZQOY-IBGZPJMESA-N 1 0 310.828 4.769 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Cl)cc1 ZINC000481932543 339617392 /nfs/dbraw/zinc/61/73/92/339617392.db2.gz NHISWFFAXJGDHG-LJQANCHMSA-N 1 0 310.828 4.769 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2ccc(F)cc2)s1 ZINC000482452256 339632130 /nfs/dbraw/zinc/63/21/30/339632130.db2.gz APRTYJBMZLWRLV-CYBMUJFWSA-N 1 0 302.418 4.899 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000482630431 339638056 /nfs/dbraw/zinc/63/80/56/339638056.db2.gz QDCYIHRMCVZWPU-KRWDZBQOSA-N 1 0 308.469 4.531 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000482885583 339645782 /nfs/dbraw/zinc/64/57/82/339645782.db2.gz HGRZNXOKFILSTM-IBGZPJMESA-N 1 0 323.436 4.563 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483637513 339670291 /nfs/dbraw/zinc/67/02/91/339670291.db2.gz HTDYIPJHXBXUCZ-DZGCQCFKSA-N 1 0 317.408 4.580 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000499943682 340047472 /nfs/dbraw/zinc/04/74/72/340047472.db2.gz CLQRQOKJAAHJQI-UHFFFAOYSA-N 1 0 324.855 4.834 20 30 DJEDRO CSc1ccc([C@H](C)NCc2ccc(Cl)cc2C#N)cc1 ZINC000500216222 340053158 /nfs/dbraw/zinc/05/31/58/340053158.db2.gz DXKSNIKRCIGPLF-LBPRGKRZSA-N 1 0 316.857 4.784 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccccc2SC)c1 ZINC000500392982 340056411 /nfs/dbraw/zinc/05/64/11/340056411.db2.gz JZUJMLIIBIEBPS-OAHLLOKOSA-N 1 0 313.466 4.824 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853763 340135089 /nfs/dbraw/zinc/13/50/89/340135089.db2.gz FGKULZSMNFWZHV-ORAYPTAESA-N 1 0 314.379 4.884 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000503858040 340135349 /nfs/dbraw/zinc/13/53/49/340135349.db2.gz KKVXGNDZLYWOQC-YJYMSZOUSA-N 1 0 314.379 4.884 20 30 DJEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000507362328 340218085 /nfs/dbraw/zinc/21/80/85/340218085.db2.gz YEEONVIMEHMJFS-LLVKDONJSA-N 1 0 324.371 4.832 20 30 DJEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507615752 340226401 /nfs/dbraw/zinc/22/64/01/340226401.db2.gz AXKBDOMIFHWPFH-ZIAGYGMSSA-N 1 0 313.894 4.595 20 30 DJEDRO Cc1ccsc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507621649 340226648 /nfs/dbraw/zinc/22/66/48/340226648.db2.gz ORFJMHADVIMVLZ-UHFFFAOYSA-N 1 0 310.466 4.550 20 30 DJEDRO Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1F ZINC000507648198 340227208 /nfs/dbraw/zinc/22/72/08/340227208.db2.gz FPCVUOQICNCAMN-UHFFFAOYSA-N 1 0 322.427 4.628 20 30 DJEDRO CCOc1cccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000508668124 340250063 /nfs/dbraw/zinc/25/00/63/340250063.db2.gz WPMYNKKDQMOYTA-MRXNPFEDSA-N 1 0 308.425 4.540 20 30 DJEDRO CC(C)(CCC#N)C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000508693967 340250852 /nfs/dbraw/zinc/25/08/52/340250852.db2.gz KLUJBXZRNYDQGZ-UHFFFAOYSA-N 1 0 316.464 4.943 20 30 DJEDRO Cc1ccccc1C[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000508822516 340253678 /nfs/dbraw/zinc/25/36/78/340253678.db2.gz PDQXJPAVPLUURK-UHFFFAOYSA-N 1 0 316.404 4.662 20 30 DJEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000508990088 340257124 /nfs/dbraw/zinc/25/71/24/340257124.db2.gz DFBUJPUNNGKWEU-NSHDSACASA-N 1 0 300.265 4.614 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000509405501 340268402 /nfs/dbraw/zinc/26/84/02/340268402.db2.gz TXFIKBUMNCHKBJ-HXUWFJFHSA-N 1 0 323.484 4.681 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)CCc1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000510654489 340305200 /nfs/dbraw/zinc/30/52/00/340305200.db2.gz YGJBXHIHWWVACK-UONOGXRCSA-N 1 0 314.379 4.508 20 30 DJEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)o1 ZINC000511762200 340337403 /nfs/dbraw/zinc/33/74/03/340337403.db2.gz KREVMRALDWXKLS-FQEVSTJZSA-N 1 0 302.377 4.642 20 30 DJEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1cccc(Cl)c1 ZINC000512162488 340350483 /nfs/dbraw/zinc/35/04/83/340350483.db2.gz CHHZNGJGVASQKP-CQSZACIVSA-N 1 0 319.832 4.565 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1 ZINC000512416761 340361165 /nfs/dbraw/zinc/36/11/65/340361165.db2.gz VNBHSRCDQIJCQU-GOSISDBHSA-N 1 0 314.379 4.713 20 30 DJEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)c1ccccc1F ZINC000512506268 340364651 /nfs/dbraw/zinc/36/46/51/340364651.db2.gz JHRYBQMUNUTMPN-MRXNPFEDSA-N 1 0 315.436 4.742 20 30 DJEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000512507008 340364667 /nfs/dbraw/zinc/36/46/67/340364667.db2.gz SWQNXNVVDJUMNB-INIZCTEOSA-N 1 0 315.436 4.742 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(Cl)c1 ZINC000512621282 340369363 /nfs/dbraw/zinc/36/93/63/340369363.db2.gz WFKIIINHNIVPQT-MNOVXSKESA-N 1 0 320.770 4.902 20 30 DJEDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C2CC2)cc1 ZINC000512621397 340369593 /nfs/dbraw/zinc/36/95/93/340369593.db2.gz XSVGPADTJAIAQA-RBZFPXEDSA-N 1 0 324.399 4.508 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512625593 340369664 /nfs/dbraw/zinc/36/96/64/340369664.db2.gz OZUDLVPDNCTRCI-NWDGAFQWSA-N 1 0 302.780 4.763 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512626167 340369674 /nfs/dbraw/zinc/36/96/74/340369674.db2.gz SJZCDWGUHWNRLW-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@@H]([NH2+]Cc1csc2ccccc12)c1ccc(C#N)cc1F ZINC000512640728 340370455 /nfs/dbraw/zinc/37/04/55/340370455.db2.gz ABZBLDCLNOXBNL-GFCCVEGCSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1F ZINC000512653515 340371121 /nfs/dbraw/zinc/37/11/21/340371121.db2.gz FTOWSEXELAAELS-BFUOFWGJSA-N 1 0 308.400 4.771 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512655317 340371274 /nfs/dbraw/zinc/37/12/74/340371274.db2.gz SXGWEOVZNWHXTB-QMIHWGKISA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000404755732 340413967 /nfs/dbraw/zinc/41/39/67/340413967.db2.gz KZNXEBCPAGFVHC-AWEZNQCLSA-N 1 0 310.416 4.846 20 30 DJEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000186840973 340516449 /nfs/dbraw/zinc/51/64/49/340516449.db2.gz PFMQBRMKAIVCEN-CXAGYDPISA-N 1 0 318.342 4.555 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000192149831 340563164 /nfs/dbraw/zinc/56/31/64/340563164.db2.gz ZTNUCBFAANAHIU-QGZVFWFLSA-N 1 0 302.780 4.592 20 30 DJEDRO CCSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192156140 340563453 /nfs/dbraw/zinc/56/34/53/340563453.db2.gz QHLUNPWKMIHNRA-ZDUSSCGKSA-N 1 0 314.429 4.660 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000522832972 340607663 /nfs/dbraw/zinc/60/76/63/340607663.db2.gz BGSXXBSOQFNSEG-MRXNPFEDSA-N 1 0 322.427 4.713 20 30 DJEDRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000523732657 340636619 /nfs/dbraw/zinc/63/66/19/340636619.db2.gz QGRWWUFWMIBOPZ-MSOLQXFVSA-N 1 0 314.473 4.675 20 30 DJEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000525181531 340693876 /nfs/dbraw/zinc/69/38/76/340693876.db2.gz XYHRQAAMSAWQIZ-UPRAQXHNSA-N 1 0 310.828 4.699 20 30 DJEDRO N#CC1(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000538389158 340819870 /nfs/dbraw/zinc/81/98/70/340819870.db2.gz AWDMBFOLNPDHBZ-GOSISDBHSA-N 1 0 310.828 4.517 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000538397047 340821021 /nfs/dbraw/zinc/82/10/21/340821021.db2.gz NQZCTKKKNXJIBU-LLVKDONJSA-N 1 0 305.208 4.716 20 30 DJEDRO N#Cc1ccccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000539306568 340880395 /nfs/dbraw/zinc/88/03/95/340880395.db2.gz JBQGENWVUUVUMQ-IBGZPJMESA-N 1 0 310.828 4.843 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000539327529 340881300 /nfs/dbraw/zinc/88/13/00/340881300.db2.gz ZKQGUGJOEKRNBO-MRXNPFEDSA-N 1 0 308.416 4.972 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000539608627 340892473 /nfs/dbraw/zinc/89/24/73/340892473.db2.gz VMISFAKDQKJACR-JLTOFOAXSA-N 1 0 308.400 4.808 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000539771220 340899222 /nfs/dbraw/zinc/89/92/22/340899222.db2.gz HAUOIOJQWKDOGA-SFHVURJKSA-N 1 0 300.421 4.681 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)s1 ZINC000541626108 340978464 /nfs/dbraw/zinc/97/84/64/340978464.db2.gz UCGVJNASYKHPCI-CQSZACIVSA-N 1 0 304.846 4.708 20 30 DJEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211545 341000449 /nfs/dbraw/zinc/00/04/49/341000449.db2.gz CVVHQLAUNCUNAA-HNNXBMFYSA-N 1 0 304.393 4.692 20 30 DJEDRO CCC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000542254732 341002192 /nfs/dbraw/zinc/00/21/92/341002192.db2.gz VWEVHEBQGAXWJQ-IBGZPJMESA-N 1 0 314.379 4.662 20 30 DJEDRO C=C(CC)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569447 341014096 /nfs/dbraw/zinc/01/40/96/341014096.db2.gz URUPYLIXFXUFEB-ZDUSSCGKSA-N 1 0 316.470 4.744 20 30 DJEDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542948439 341027132 /nfs/dbraw/zinc/02/71/32/341027132.db2.gz VZWLTABQRKNPEY-INIZCTEOSA-N 1 0 316.404 4.978 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000543186993 341035860 /nfs/dbraw/zinc/03/58/60/341035860.db2.gz ZUCPIOXXPIDWRV-OAQYLSRUSA-N 1 0 322.427 4.913 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000543186562 341035864 /nfs/dbraw/zinc/03/58/64/341035864.db2.gz WGWWFCKPJSNACP-OAQYLSRUSA-N 1 0 322.427 4.913 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000543243191 341037658 /nfs/dbraw/zinc/03/76/58/341037658.db2.gz IOFBNPKBKSCDQD-UHFFFAOYSA-N 1 0 319.452 4.714 20 30 DJEDRO CCCN(Cc1ncc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000543393500 341041539 /nfs/dbraw/zinc/04/15/39/341041539.db2.gz GOKTZYPPMQETSA-UHFFFAOYSA-N 1 0 313.470 4.550 20 30 DJEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccs1 ZINC000543487823 341047169 /nfs/dbraw/zinc/04/71/69/341047169.db2.gz RNPBAWRSUCDVRH-MRXNPFEDSA-N 1 0 302.418 4.636 20 30 DJEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000543497250 341047490 /nfs/dbraw/zinc/04/74/90/341047490.db2.gz JDGRBEWAJNABDB-STQMWFEESA-N 1 0 312.379 4.727 20 30 DJEDRO C=CCCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000543515521 341048207 /nfs/dbraw/zinc/04/82/07/341048207.db2.gz XTJLFTRHUPILPP-GFCCVEGCSA-N 1 0 304.434 4.874 20 30 DJEDRO Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC(CC#N)CC2)o1 ZINC000543779548 341058395 /nfs/dbraw/zinc/05/83/95/341058395.db2.gz IMRIXCGTSZXCAI-UHFFFAOYSA-N 1 0 312.388 4.520 20 30 DJEDRO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960972 341064371 /nfs/dbraw/zinc/06/43/71/341064371.db2.gz HXSQZZDCQSWKCZ-IRXDYDNUSA-N 1 0 322.452 4.691 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544039477 341067522 /nfs/dbraw/zinc/06/75/22/341067522.db2.gz ITROOIILCWWCMC-YWZLYKJASA-N 1 0 322.477 4.771 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544039475 341067574 /nfs/dbraw/zinc/06/75/74/341067574.db2.gz ITROOIILCWWCMC-MGPUTAFESA-N 1 0 322.477 4.771 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000544119094 341071057 /nfs/dbraw/zinc/07/10/57/341071057.db2.gz QINPRAVQGRQDGG-MRXNPFEDSA-N 1 0 300.405 4.757 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973432 341250951 /nfs/dbraw/zinc/25/09/51/341250951.db2.gz BYUZEEHXYUNOMJ-CHWSQXEVSA-N 1 0 318.342 4.989 20 30 DJEDRO CCCC[C@H](CC)CC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548793843 341276035 /nfs/dbraw/zinc/27/60/35/341276035.db2.gz XGOTUJZHWIBQAA-SFHVURJKSA-N 1 0 313.489 4.545 20 30 DJEDRO Cc1nc(C(C)C)ccc1COc1ccc(C#N)cc1Cl ZINC000549036005 341284201 /nfs/dbraw/zinc/28/42/01/341284201.db2.gz LVJFZJIDXMOMQK-UHFFFAOYSA-N 1 0 300.789 4.618 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170005 341287769 /nfs/dbraw/zinc/28/77/69/341287769.db2.gz FGTCWBVQYQJWIF-BBRMVZONSA-N 1 0 322.374 4.674 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536577 341296776 /nfs/dbraw/zinc/29/67/76/341296776.db2.gz SKSHSLNJNURKCD-BXTJHSDWSA-N 1 0 308.400 4.836 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000549717879 341301313 /nfs/dbraw/zinc/30/13/13/341301313.db2.gz JLBLABXUEUYOKL-SIVJFFJCSA-N 1 0 309.240 4.726 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865792 341305421 /nfs/dbraw/zinc/30/54/21/341305421.db2.gz DCQGZJGCMUQVBT-UKRRQHHQSA-N 1 0 322.374 4.577 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000551200452 341333596 /nfs/dbraw/zinc/33/35/96/341333596.db2.gz IYCFGJKHBAOEDD-QGZVFWFLSA-N 1 0 304.865 4.581 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000551241939 341335185 /nfs/dbraw/zinc/33/51/85/341335185.db2.gz XJPSRHFWYJNFGE-CQSZACIVSA-N 1 0 322.880 4.557 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000551241922 341335218 /nfs/dbraw/zinc/33/52/18/341335218.db2.gz XJPSRHFWYJNFGE-AWEZNQCLSA-N 1 0 322.880 4.557 20 30 DJEDRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1ccc(C#N)cc1 ZINC000551813261 341352671 /nfs/dbraw/zinc/35/26/71/341352671.db2.gz FAEUJMYWSZVLNV-CQSZACIVSA-N 1 0 310.828 4.942 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccco1 ZINC000552047484 341364872 /nfs/dbraw/zinc/36/48/72/341364872.db2.gz NXAXIEBHZRYGIE-QGZVFWFLSA-N 1 0 312.388 4.740 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(CC)s2)cc1 ZINC000552090987 341369070 /nfs/dbraw/zinc/36/90/70/341369070.db2.gz ZGGJEUQAXBWGTF-AWEZNQCLSA-N 1 0 301.455 4.726 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)cc1 ZINC000552323238 341386399 /nfs/dbraw/zinc/38/63/99/341386399.db2.gz AXGNZLZMLIADHC-HXUWFJFHSA-N 1 0 311.425 4.784 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CC(C)C)c2ccccn2)cc1 ZINC000552322491 341386493 /nfs/dbraw/zinc/38/64/93/341386493.db2.gz PFZLITYWEPSUAN-FQEVSTJZSA-N 1 0 310.441 4.523 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)cc1 ZINC000552323733 341386587 /nfs/dbraw/zinc/38/65/87/341386587.db2.gz PPRCCUPMUPHVAX-LBPRGKRZSA-N 1 0 321.342 4.520 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccccc2)cs1 ZINC000248842122 341388354 /nfs/dbraw/zinc/38/83/54/341388354.db2.gz NVALAVZKTPXKLY-LZWOXQAQSA-N 1 0 311.454 4.543 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000553293907 341423638 /nfs/dbraw/zinc/42/36/38/341423638.db2.gz OTRWVAJDCFSAIG-IIBYNOLFSA-N 1 0 304.437 4.903 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000553293694 341423642 /nfs/dbraw/zinc/42/36/42/341423642.db2.gz CIPVPHCFVMVRFE-RTWAWAEBSA-N 1 0 320.411 4.816 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000554366400 341451503 /nfs/dbraw/zinc/45/15/03/341451503.db2.gz MXPGVHWPYXNBLM-SFHVURJKSA-N 1 0 302.437 4.977 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1nccc2ccccc21)c1ccc(C#N)cc1 ZINC000554987929 341471709 /nfs/dbraw/zinc/47/17/09/341471709.db2.gz GXUWHKZOZWYMNY-GJZGRUSLSA-N 1 0 301.393 4.518 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000556218382 341497776 /nfs/dbraw/zinc/49/77/76/341497776.db2.gz SOJCJUCHTPAWMF-FQEVSTJZSA-N 1 0 324.468 4.566 20 30 DJEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000565546529 341530622 /nfs/dbraw/zinc/53/06/22/341530622.db2.gz YDLAPNJLFBLGMQ-QRWLVFNGSA-N 1 0 320.436 4.604 20 30 DJEDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000565850390 341540040 /nfs/dbraw/zinc/54/00/40/341540040.db2.gz LQCVBELZIYFLHC-MGPUTAFESA-N 1 0 320.436 4.685 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)s1 ZINC000154232679 341587047 /nfs/dbraw/zinc/58/70/47/341587047.db2.gz JJOQSNGJKJLLPP-GOSISDBHSA-N 1 0 314.429 4.780 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000154324408 341587979 /nfs/dbraw/zinc/58/79/79/341587979.db2.gz NTVGXAPEUVTREH-KZULUSFZSA-N 1 0 300.352 4.638 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)c1 ZINC000154576804 341591803 /nfs/dbraw/zinc/59/18/03/341591803.db2.gz BMDUAHYLLANXMC-KRWDZBQOSA-N 1 0 317.219 4.642 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc2cccc(F)c2o1 ZINC000567315730 341594661 /nfs/dbraw/zinc/59/46/61/341594661.db2.gz AHFJWHOFJNWSSY-SGTLLEGYSA-N 1 0 320.367 4.782 20 30 DJEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000568333299 341665824 /nfs/dbraw/zinc/66/58/24/341665824.db2.gz SHRGSSFQJLPQSY-UHFFFAOYSA-N 1 0 324.733 4.520 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000568334030 341665847 /nfs/dbraw/zinc/66/58/47/341665847.db2.gz QIPWJWAMTQQWIZ-PMACEKPBSA-N 1 0 304.437 4.923 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Oc2ccccc2)cc1 ZINC000174331685 341826049 /nfs/dbraw/zinc/82/60/49/341826049.db2.gz CRTSRINBNCUXFN-OAHLLOKOSA-N 1 0 318.376 4.794 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000174358128 341826222 /nfs/dbraw/zinc/82/62/22/341826222.db2.gz UZUBHWHWMOXUAD-XIKOKIGWSA-N 1 0 300.352 4.638 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)CC2 ZINC000576793574 341863491 /nfs/dbraw/zinc/86/34/91/341863491.db2.gz RPSDAPLKQIFDQY-QRFRQXIXSA-N 1 0 322.839 4.735 20 30 DJEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000176980995 341909337 /nfs/dbraw/zinc/90/93/37/341909337.db2.gz BOLARVNLJYRBDN-QGZVFWFLSA-N 1 0 314.454 4.505 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000177681232 341923600 /nfs/dbraw/zinc/92/36/00/341923600.db2.gz AMZZOKXIQGVDAH-MRXNPFEDSA-N 1 0 302.830 4.514 20 30 DJEDRO CCCC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OC)cc1 ZINC000177695962 341924078 /nfs/dbraw/zinc/92/40/78/341924078.db2.gz CPRTYUVDJPLYOH-GOSISDBHSA-N 1 0 314.454 4.649 20 30 DJEDRO CCSc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177696102 341924193 /nfs/dbraw/zinc/92/41/93/341924193.db2.gz VPKDIIXJMNAWFM-GFCCVEGCSA-N 1 0 302.468 4.583 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177696088 341924197 /nfs/dbraw/zinc/92/41/97/341924197.db2.gz VZVLTEDMZUQLBU-ZDUSSCGKSA-N 1 0 316.495 4.971 20 30 DJEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000177706673 341924671 /nfs/dbraw/zinc/92/46/71/341924671.db2.gz FUJOMOZHSXSLAK-SSKCKEOISA-N 1 0 316.857 4.760 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000181654421 525534054 /nfs/dbraw/zinc/53/40/54/525534054.db2.gz WIKPTZAMPCDDMC-MRXNPFEDSA-N 1 0 322.452 4.724 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000126528011 525534720 /nfs/dbraw/zinc/53/47/20/525534720.db2.gz SMSYSSDVHPSQOV-IRXDYDNUSA-N 1 0 319.452 4.570 20 30 DJEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccco1 ZINC000287477550 335043907 /nfs/dbraw/zinc/04/39/07/335043907.db2.gz MSCFDPGPGGKMMC-NSHGMRRFSA-N 1 0 311.425 4.654 20 30 DJEDRO CSc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272304349 130018774 /nfs/dbraw/zinc/01/87/74/130018774.db2.gz RYYWFTDYNJZKSB-CQSZACIVSA-N 1 0 308.450 4.620 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000121443986 132155887 /nfs/dbraw/zinc/15/58/87/132155887.db2.gz UOCZJQZYHIEOJL-OLZOCXBDSA-N 1 0 316.351 4.571 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000121444153 132156154 /nfs/dbraw/zinc/15/61/54/132156154.db2.gz UOCZJQZYHIEOJL-QWHCGFSZSA-N 1 0 316.351 4.571 20 30 DJEDRO C=CCCCC[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000570527498 332768775 /nfs/dbraw/zinc/76/87/75/332768775.db2.gz UADYNRATWKHZKJ-QGZVFWFLSA-N 1 0 322.452 4.946 20 30 DJEDRO CC[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000570896499 332837045 /nfs/dbraw/zinc/83/70/45/332837045.db2.gz SPKDSZHXWKUXCJ-GOSISDBHSA-N 1 0 310.828 4.942 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000173919729 332841080 /nfs/dbraw/zinc/84/10/80/332841080.db2.gz JYRIIZIWBAFKEQ-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000533445809 331532353 /nfs/dbraw/zinc/53/23/53/331532353.db2.gz KFOCQAGNJOPGEV-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000037073338 331536220 /nfs/dbraw/zinc/53/62/20/331536220.db2.gz ZPMCWABVGSUZAT-MRXNPFEDSA-N 1 0 314.841 4.538 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950189 331564903 /nfs/dbraw/zinc/56/49/03/331564903.db2.gz MAQMSDFKNSDCKL-UXHICEINSA-N 1 0 307.437 4.980 20 30 DJEDRO N#Cc1cccc(C[NH2+]C(c2cccs2)c2cccs2)c1 ZINC000037748924 331584518 /nfs/dbraw/zinc/58/45/18/331584518.db2.gz XNKLRGYIYKBURF-UHFFFAOYSA-N 1 0 310.447 4.560 20 30 DJEDRO CC1(C)C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000556602857 331719748 /nfs/dbraw/zinc/71/97/48/331719748.db2.gz CWERECFCXKFFOF-IBGZPJMESA-N 1 0 302.421 4.560 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000323089230 331786429 /nfs/dbraw/zinc/78/64/29/331786429.db2.gz VYFQAEKIBDWSEN-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO COc1cc(C[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)ccc1C#N ZINC000564434496 331788256 /nfs/dbraw/zinc/78/82/56/331788256.db2.gz YBCDFEGSQXJQET-UXHICEINSA-N 1 0 320.436 4.541 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000557517109 331796726 /nfs/dbraw/zinc/79/67/26/331796726.db2.gz DONPAURCXGHPPC-NHCUHLMSSA-N 1 0 304.437 4.923 20 30 DJEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000564856903 331811432 /nfs/dbraw/zinc/81/14/32/331811432.db2.gz ZMZNRVUGIKBZIC-WMLDXEAASA-N 1 0 317.864 4.850 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1OCc1ccccc1 ZINC000559146788 331982128 /nfs/dbraw/zinc/98/21/28/331982128.db2.gz FHGFFUFBCBZHPE-NEWSRXKRSA-N 1 0 320.436 4.608 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000518289975 332007562 /nfs/dbraw/zinc/00/75/62/332007562.db2.gz DIHVOHXMWPQTOB-UHFFFAOYSA-N 1 0 303.405 4.694 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000426287932 332012920 /nfs/dbraw/zinc/01/29/20/332012920.db2.gz HNXDRDKDGLVHES-NHCUHLMSSA-N 1 0 302.421 4.521 20 30 DJEDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000409447349 332031828 /nfs/dbraw/zinc/03/18/28/332031828.db2.gz OTEPLKSYBSNZAF-QGZVFWFLSA-N 1 0 300.446 4.552 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000090664553 332091971 /nfs/dbraw/zinc/09/19/71/332091971.db2.gz AAOUCDGCGCWRQJ-UGSOOPFHSA-N 1 0 300.352 4.660 20 30 DJEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665206 332092004 /nfs/dbraw/zinc/09/20/04/332092004.db2.gz TXUVHGSUKQTJFB-JXFKEZNVSA-N 1 0 308.425 4.781 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1F ZINC000090665903 332092556 /nfs/dbraw/zinc/09/25/56/332092556.db2.gz KICQEVSEISQSDN-KSSFIOAISA-N 1 0 312.388 4.530 20 30 DJEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000426391571 332107814 /nfs/dbraw/zinc/10/78/14/332107814.db2.gz RHFBOWBAXVNTCH-MRXNPFEDSA-N 1 0 301.842 4.590 20 30 DJEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2CCC2CCCC2)CCOCC1 ZINC000410412467 332124729 /nfs/dbraw/zinc/12/47/29/332124729.db2.gz BVCMQTRSRWNXHL-LJQANCHMSA-N 1 0 318.505 4.522 20 30 DJEDRO C=CCCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000448026094 332194313 /nfs/dbraw/zinc/19/43/13/332194313.db2.gz GWRXQPRGMKRUBQ-SFHVURJKSA-N 1 0 300.833 4.575 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000449444814 332199170 /nfs/dbraw/zinc/19/91/70/332199170.db2.gz DOOTUJYYESPCIU-HZMBPMFUSA-N 1 0 316.754 4.531 20 30 DJEDRO CC[C@@H](C)[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000538196996 332217662 /nfs/dbraw/zinc/21/76/62/332217662.db2.gz AEHTYEWIVYFHRU-CJNGLKHVSA-N 1 0 310.894 4.664 20 30 DJEDRO CC[C@H](C)[C@@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000538197003 332217766 /nfs/dbraw/zinc/21/77/66/332217766.db2.gz AEHTYEWIVYFHRU-XJKSGUPXSA-N 1 0 310.894 4.664 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537969683 332245821 /nfs/dbraw/zinc/24/58/21/332245821.db2.gz LBDGXFFXUHVKTO-VXGBXAGGSA-N 1 0 304.434 4.873 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000564962097 332304661 /nfs/dbraw/zinc/30/46/61/332304661.db2.gz ABYGQUUQFCRPRK-IGEOTXOUSA-N 1 0 324.390 4.599 20 30 DJEDRO Cc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)ccc1C#N ZINC000560065101 332307555 /nfs/dbraw/zinc/30/75/55/332307555.db2.gz LOEHJIQQOIDUDJ-UHFFFAOYSA-N 1 0 310.828 4.689 20 30 DJEDRO N#CCC[C@H](NCc1cc(Cl)ccc1F)c1ccccc1 ZINC000119847918 332311682 /nfs/dbraw/zinc/31/16/82/332311682.db2.gz OQNGAQSRPUIRDW-KRWDZBQOSA-N 1 0 302.780 4.614 20 30 DJEDRO N#CC1(C[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000560177201 332317163 /nfs/dbraw/zinc/31/71/63/332317163.db2.gz UTTZKJKFZUOLKN-DLBZAZTESA-N 1 0 302.849 4.650 20 30 DJEDRO C=CCCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000448035467 332329417 /nfs/dbraw/zinc/32/94/17/332329417.db2.gz QGZMYYDPPRMKHJ-SFHVURJKSA-N 1 0 300.833 4.575 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000130462150 332538259 /nfs/dbraw/zinc/53/82/59/332538259.db2.gz VRVRWXZMKQFKPV-KRWDZBQOSA-N 1 0 318.342 4.840 20 30 DJEDRO CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000569822849 332683308 /nfs/dbraw/zinc/68/33/08/332683308.db2.gz VPUINAPZZXSMOJ-KKSFZXQISA-N 1 0 321.468 4.954 20 30 DJEDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000462541727 332977656 /nfs/dbraw/zinc/97/76/56/332977656.db2.gz HDYWUEJRQNQZGK-IEBWSBKVSA-N 1 0 310.466 4.669 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000540170699 333134696 /nfs/dbraw/zinc/13/46/96/333134696.db2.gz TVKMRKGXZZVOBD-NWDGAFQWSA-N 1 0 304.434 4.873 20 30 DJEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000181573855 333170438 /nfs/dbraw/zinc/17/04/38/333170438.db2.gz STQHBVJJDNIEGE-AWEZNQCLSA-N 1 0 318.436 4.595 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430736067 335126941 /nfs/dbraw/zinc/12/69/41/335126941.db2.gz BXLDVDMTHMKOBA-CJNGLKHVSA-N 1 0 323.267 4.913 20 30 DJEDRO COc1ccc2oc([C@H](C)[NH2+]CCCC(C)(C)C#N)c(C)c2c1 ZINC000184321369 333194985 /nfs/dbraw/zinc/19/49/85/333194985.db2.gz DZNYYVMLLFTSKZ-AWEZNQCLSA-N 1 0 314.429 4.730 20 30 DJEDRO C[C@H](CCSc1ccccc1)[NH+]1CCC(CCC#N)CC1 ZINC000563066139 333257163 /nfs/dbraw/zinc/25/71/63/333257163.db2.gz JYHCUEJDDGEXEN-MRXNPFEDSA-N 1 0 302.487 4.573 20 30 DJEDRO CC[N@H+](Cc1cccc(OC(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599900 333267764 /nfs/dbraw/zinc/26/77/64/333267764.db2.gz NHSDXFLYUPBOJP-KRWDZBQOSA-N 1 0 322.452 4.929 20 30 DJEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(C#N)c1)CCS2 ZINC000186987716 333383132 /nfs/dbraw/zinc/38/31/32/333383132.db2.gz GSQSCBKDYWNRQN-SFHVURJKSA-N 1 0 308.450 4.502 20 30 DJEDRO N#CCC[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000337364430 333447283 /nfs/dbraw/zinc/44/72/83/333447283.db2.gz ASEWCHLOVJVVHW-TYPHKJRUSA-N 1 0 319.452 4.742 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000338775955 333497624 /nfs/dbraw/zinc/49/76/24/333497624.db2.gz HXBVCJJZTIEYSH-INIZCTEOSA-N 1 0 321.262 4.500 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000411615609 333698069 /nfs/dbraw/zinc/69/80/69/333698069.db2.gz RTHVWGCBQGRDRQ-IVMMDQJWSA-N 1 0 310.363 4.623 20 30 DJEDRO N#CCOc1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000271817128 334027222 /nfs/dbraw/zinc/02/72/22/334027222.db2.gz BRGKLWSHMBUXSM-NRFANRHFSA-N 1 0 320.436 4.610 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271860999 334027724 /nfs/dbraw/zinc/02/77/24/334027724.db2.gz KJJWXACXRWHIQF-IIBYNOLFSA-N 1 0 320.436 4.699 20 30 DJEDRO Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000271874257 334027940 /nfs/dbraw/zinc/02/79/40/334027940.db2.gz NRFNSFRVIFNLIH-IIBYNOLFSA-N 1 0 320.436 4.699 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 ZINC000278839514 334101989 /nfs/dbraw/zinc/10/19/89/334101989.db2.gz QUPFELQPUUBQEM-QGZVFWFLSA-N 1 0 313.489 4.657 20 30 DJEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C)cc1O ZINC000280095496 334114267 /nfs/dbraw/zinc/11/42/67/334114267.db2.gz MSQFJDFTUDWGBY-RTBURBONSA-N 1 0 308.425 4.786 20 30 DJEDRO C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccsc2S1 ZINC000282390028 334134126 /nfs/dbraw/zinc/13/41/26/334134126.db2.gz RCRVRAKUMZKJEG-LFUGVXIPSA-N 1 0 306.500 4.593 20 30 DJEDRO Cc1ccccc1C[N@H+](Cc1cccnc1)CC(C)(C)CCC#N ZINC000289427071 334165257 /nfs/dbraw/zinc/16/52/57/334165257.db2.gz KBFHQSDCKISMII-UHFFFAOYSA-N 1 0 321.468 4.722 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cn1 ZINC000340428788 334198324 /nfs/dbraw/zinc/19/83/24/334198324.db2.gz AINDJTYOFKCYRN-KDOFPFPSSA-N 1 0 313.832 4.821 20 30 DJEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511828 334198554 /nfs/dbraw/zinc/19/85/54/334198554.db2.gz IBHIDYVDYHJYBK-KMFMINBZSA-N 1 0 322.374 4.577 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430888 334199074 /nfs/dbraw/zinc/19/90/74/334199074.db2.gz HZIBBCHFGZUBGN-VQTJNVASSA-N 1 0 320.436 4.794 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000340438776 334202169 /nfs/dbraw/zinc/20/21/69/334202169.db2.gz ALNZRQKOEWPIHM-VQTJNVASSA-N 1 0 308.400 4.838 20 30 DJEDRO COc1ccccc1C[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340445566 334203232 /nfs/dbraw/zinc/20/32/32/334203232.db2.gz FILPLAALLTVNCG-FXAWDEMLSA-N 1 0 322.452 4.651 20 30 DJEDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340446412 334203489 /nfs/dbraw/zinc/20/34/89/334203489.db2.gz OENJXRGDXBUJMC-WOJBJXKFSA-N 1 0 320.436 4.707 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000340445125 334203816 /nfs/dbraw/zinc/20/38/16/334203816.db2.gz KNAWGRFPSXMDII-NHCUHLMSSA-N 1 0 315.420 4.570 20 30 DJEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)CC2 ZINC000340452988 334205548 /nfs/dbraw/zinc/20/55/48/334205548.db2.gz PYGMJVAZXAYQRI-RTWAWAEBSA-N 1 0 320.436 4.707 20 30 DJEDRO COc1ccsc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340451829 334205887 /nfs/dbraw/zinc/20/58/87/334205887.db2.gz OYLBKPXEUMHJBN-HOCLYGCPSA-N 1 0 314.454 4.842 20 30 DJEDRO Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000295078434 334217620 /nfs/dbraw/zinc/21/76/20/334217620.db2.gz PYXWFOKTOSIYER-HOCLYGCPSA-N 1 0 312.388 4.566 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000296538039 334234910 /nfs/dbraw/zinc/23/49/10/334234910.db2.gz QVSNFAITJSJAPL-YSSFQJQWSA-N 1 0 308.400 4.587 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000298854678 334251772 /nfs/dbraw/zinc/25/17/72/334251772.db2.gz IUHGHAJBGXQZKB-CVEARBPZSA-N 1 0 308.425 4.705 20 30 DJEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c1 ZINC000353635059 334308082 /nfs/dbraw/zinc/30/80/82/334308082.db2.gz XZSZLUTXRPOFNU-CQSZACIVSA-N 1 0 316.470 4.518 20 30 DJEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000531951496 334309240 /nfs/dbraw/zinc/30/92/40/334309240.db2.gz NQGROYJIIUGYKY-CHWSQXEVSA-N 1 0 318.873 4.945 20 30 DJEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000531951497 334309472 /nfs/dbraw/zinc/30/94/72/334309472.db2.gz NQGROYJIIUGYKY-OLZOCXBDSA-N 1 0 318.873 4.945 20 30 DJEDRO N#CCC[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1 ZINC000341355997 334440197 /nfs/dbraw/zinc/44/01/97/334440197.db2.gz QSWWOINXGBRYAH-UUKMXZOPSA-N 1 0 308.400 4.706 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(Cl)c1F ZINC000341711523 334472905 /nfs/dbraw/zinc/47/29/05/334472905.db2.gz WIXUFUSHUBQIPS-QGZVFWFLSA-N 1 0 314.791 4.518 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000341760165 334478036 /nfs/dbraw/zinc/47/80/36/334478036.db2.gz JLIIJKKVTXOPTO-RBUKOAKNSA-N 1 0 320.461 4.762 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000341911817 334491448 /nfs/dbraw/zinc/49/14/48/334491448.db2.gz QPPFCJPHFXZMQX-QGZVFWFLSA-N 1 0 320.358 4.898 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000344284215 335236411 /nfs/dbraw/zinc/23/64/11/335236411.db2.gz CCOHTIMRDLGORR-UXHICEINSA-N 1 0 308.400 4.838 20 30 DJEDRO C=C(C)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444740191 338486370 /nfs/dbraw/zinc/48/63/70/338486370.db2.gz VQXOTMJXYUFBLH-LBPRGKRZSA-N 1 0 311.269 4.865 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000348209834 335561440 /nfs/dbraw/zinc/56/14/40/335561440.db2.gz APKDQANHQURNQX-AWEZNQCLSA-N 1 0 308.878 4.796 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(-c2ccncc2)c1 ZINC000348208734 335566424 /nfs/dbraw/zinc/56/64/24/335566424.db2.gz AAPMMJVHAAQQMM-INIZCTEOSA-N 1 0 307.441 4.729 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cnoc1C)c1ccc(C(F)(F)F)cc1 ZINC000445811288 338510812 /nfs/dbraw/zinc/51/08/12/338510812.db2.gz QUDMQIVOFLLJPC-INIZCTEOSA-N 1 0 324.346 4.799 20 30 DJEDRO C=CCC[C@@H](NC(=O)Nc1c(C)ccnc1C)c1ccccc1 ZINC000351954718 336182805 /nfs/dbraw/zinc/18/28/05/336182805.db2.gz AJNUXLJFIDPVIC-QGZVFWFLSA-N 1 0 309.413 4.527 20 30 DJEDRO N#CCC[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761327 336233329 /nfs/dbraw/zinc/23/33/29/336233329.db2.gz WBULVNHJYBDCPG-SFFCAUCYSA-N 1 0 312.363 4.613 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)c(F)c1 ZINC000532567964 336255781 /nfs/dbraw/zinc/25/57/81/336255781.db2.gz OQBJXLNVMUPIFB-UHFFFAOYSA-N 1 0 308.400 4.647 20 30 DJEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000192759171 336260712 /nfs/dbraw/zinc/26/07/12/336260712.db2.gz KCVRFLXHCXNEOE-HOTGVXAUSA-N 1 0 308.425 4.757 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192933451 336285097 /nfs/dbraw/zinc/28/50/97/336285097.db2.gz OAYUZGXPBXBELM-KGLIPLIRSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000192933425 336285194 /nfs/dbraw/zinc/28/51/94/336285194.db2.gz OAYUZGXPBXBELM-KBPBESRZSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000192975285 336286227 /nfs/dbraw/zinc/28/62/27/336286227.db2.gz LRTJUIXDWAXBMC-CHWSQXEVSA-N 1 0 316.351 4.571 20 30 DJEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000192991099 336286651 /nfs/dbraw/zinc/28/66/51/336286651.db2.gz QFTAPMDMRLKCSJ-HZPDHXFCSA-N 1 0 308.425 4.757 20 30 DJEDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999059 336286773 /nfs/dbraw/zinc/28/67/73/336286773.db2.gz OCMVBZYTMXOVGD-OXQOHEQNSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000193002560 336286800 /nfs/dbraw/zinc/28/68/00/336286800.db2.gz UUIQRDBLAANWCE-QWHCGFSZSA-N 1 0 318.342 4.989 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1nccc2ccccc21 ZINC000353255741 336408370 /nfs/dbraw/zinc/40/83/70/336408370.db2.gz OBSFNZHGOZZBFA-OXJNMPFZSA-N 1 0 315.420 4.930 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CCC(F)(F)CC1 ZINC000353311892 336411255 /nfs/dbraw/zinc/41/12/55/336411255.db2.gz HRMDRBLKXLAFKQ-RHSMWYFYSA-N 1 0 306.400 4.835 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccccc1 ZINC000353912180 336447552 /nfs/dbraw/zinc/44/75/52/336447552.db2.gz DUACIQVWDPZOPX-IBGZPJMESA-N 1 0 304.393 4.958 20 30 DJEDRO CCOc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353917207 336448210 /nfs/dbraw/zinc/44/82/10/336448210.db2.gz SZUKEQBRGJJSJI-FQEVSTJZSA-N 1 0 308.425 4.610 20 30 DJEDRO N#CCC[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccccc1 ZINC000356145348 336538209 /nfs/dbraw/zinc/53/82/09/336538209.db2.gz XBARKQHYEQHPKF-SFHVURJKSA-N 1 0 316.807 4.656 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000358036242 336607849 /nfs/dbraw/zinc/60/78/49/336607849.db2.gz KZHQZSJEDRHUAW-GXFFZTMASA-N 1 0 312.276 4.540 20 30 DJEDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358330645 336624485 /nfs/dbraw/zinc/62/44/85/336624485.db2.gz RJYDBFFFABXPFG-UZLBHIALSA-N 1 0 310.416 4.781 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1F ZINC000358567895 336634956 /nfs/dbraw/zinc/63/49/56/336634956.db2.gz KMMKLSSQTIZELX-JZKQVHKSSA-N 1 0 308.400 4.987 20 30 DJEDRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360821648 336723178 /nfs/dbraw/zinc/72/31/78/336723178.db2.gz MJSAXXPDZYZFAR-MGPUTAFESA-N 1 0 308.425 4.530 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000362277531 336790649 /nfs/dbraw/zinc/79/06/49/336790649.db2.gz DIFMTYHBZOFUST-HOTGVXAUSA-N 1 0 310.363 4.625 20 30 DJEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721238 337017782 /nfs/dbraw/zinc/01/77/82/337017782.db2.gz VDAUONPGKHRPGE-PWRODBHTSA-N 1 0 320.436 4.519 20 30 DJEDRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000584380407 337233122 /nfs/dbraw/zinc/23/31/22/337233122.db2.gz ZLGOSCRENINQQP-HNNXBMFYSA-N 1 0 324.390 4.556 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000185805269 337250394 /nfs/dbraw/zinc/25/03/94/337250394.db2.gz FBRGAZSEWFZLPB-CORIIIEPSA-N 1 0 306.862 4.549 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](c3ccc(F)cc3)C1)CC2 ZINC000583842476 337342797 /nfs/dbraw/zinc/34/27/97/337342797.db2.gz VLFQJXXGXDCDMK-HFSMHLIXSA-N 1 0 320.411 4.611 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](c3ccc(F)cc3)C1)CC2 ZINC000583842477 337342811 /nfs/dbraw/zinc/34/28/11/337342811.db2.gz VLFQJXXGXDCDMK-SLYNCCJLSA-N 1 0 320.411 4.611 20 30 DJEDRO CC(C)CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000571790209 337577030 /nfs/dbraw/zinc/57/70/30/337577030.db2.gz CNAHNQQUXDJUDT-QAPCUYQASA-N 1 0 317.864 4.850 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000161556159 337592722 /nfs/dbraw/zinc/59/27/22/337592722.db2.gz OCTPZCAQLDFISM-MRXNPFEDSA-N 1 0 302.780 4.592 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000424328037 337821568 /nfs/dbraw/zinc/82/15/68/337821568.db2.gz NSYPDHKTJVANMW-NGZCFLSTSA-N 1 0 315.269 4.714 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000426293984 338025147 /nfs/dbraw/zinc/02/51/47/338025147.db2.gz ZQKRFRHNQPCZGG-VBKZILBWSA-N 1 0 308.400 4.734 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314491 338026522 /nfs/dbraw/zinc/02/65/22/338026522.db2.gz XOTQXZGDBUQZIK-KXBFYZLASA-N 1 0 308.400 4.665 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)ccc1Cl ZINC000426731328 338039754 /nfs/dbraw/zinc/03/97/54/338039754.db2.gz OPXXLBGSGULMLH-GFCCVEGCSA-N 1 0 319.235 4.910 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@H](C)CC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000429438953 338081018 /nfs/dbraw/zinc/08/10/18/338081018.db2.gz ZOEQPVMTHOMERD-DYVFJYSZSA-N 1 0 309.400 4.519 20 30 DJEDRO Cc1cc([C@H]2CCC[N@@H+]2CCCCC#N)ccc1Br ZINC000430238505 338102688 /nfs/dbraw/zinc/10/26/88/338102688.db2.gz KNXMHVUDSMIOIU-MRXNPFEDSA-N 1 0 321.262 4.588 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(OCc2ccccc2)c1 ZINC000430749004 338113483 /nfs/dbraw/zinc/11/34/83/338113483.db2.gz HISDVYRKPFFHMQ-QGZVFWFLSA-N 1 0 320.436 4.610 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1OCc1ccccc1 ZINC000430750562 338113555 /nfs/dbraw/zinc/11/35/55/338113555.db2.gz BSOIZVTZGCQWHC-KRWDZBQOSA-N 1 0 320.436 4.610 20 30 DJEDRO CCCCCOc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430763077 338114207 /nfs/dbraw/zinc/11/42/07/338114207.db2.gz PFYUCUMAPZCDBD-INIZCTEOSA-N 1 0 300.446 4.600 20 30 DJEDRO COc1cccc(CCC[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433011266 338176216 /nfs/dbraw/zinc/17/62/16/338176216.db2.gz NTRZBQLBZHZLEH-OAQYLSRUSA-N 1 0 322.452 4.653 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000433015704 338176301 /nfs/dbraw/zinc/17/63/01/338176301.db2.gz YDCUIEVTSARSCN-IBGZPJMESA-N 1 0 314.379 4.532 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000433015705 338176312 /nfs/dbraw/zinc/17/63/12/338176312.db2.gz YDCUIEVTSARSCN-LJQANCHMSA-N 1 0 314.379 4.532 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000433025725 338177014 /nfs/dbraw/zinc/17/70/14/338177014.db2.gz AXDMMZSVRAEPKV-WBVHZDCISA-N 1 0 306.400 4.837 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000433025724 338177089 /nfs/dbraw/zinc/17/70/89/338177089.db2.gz AXDMMZSVRAEPKV-RDJZCZTQSA-N 1 0 306.400 4.837 20 30 DJEDRO CCc1cccc(OCC[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433031847 338177317 /nfs/dbraw/zinc/17/73/17/338177317.db2.gz PEQMAKTXNIJKDF-NRFANRHFSA-N 1 0 322.452 4.653 20 30 DJEDRO CC(C)(C#N)CCCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434492412 338218281 /nfs/dbraw/zinc/21/82/81/338218281.db2.gz ODNLHHGFSZHGPX-UHFFFAOYSA-N 1 0 302.437 4.667 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434492183 338218339 /nfs/dbraw/zinc/21/83/39/338218339.db2.gz MWVNNOAZCXPISI-INIZCTEOSA-N 1 0 308.400 4.580 20 30 DJEDRO CC(C)[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000435235946 338234951 /nfs/dbraw/zinc/23/49/51/338234951.db2.gz PIUYFOUFCBFMJQ-UHFFFAOYSA-N 1 0 322.452 4.780 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000436291932 338266578 /nfs/dbraw/zinc/26/65/78/338266578.db2.gz QZWOHKZNHRPUGY-SYNHAJSKSA-N 1 0 311.425 4.578 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000436294695 338266969 /nfs/dbraw/zinc/26/69/69/338266969.db2.gz GKITXNGYXNHKSG-GUXCAODWSA-N 1 0 313.441 4.681 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000436299661 338267326 /nfs/dbraw/zinc/26/73/26/338267326.db2.gz GXFAXILRAJUTQL-CSFVBSKPSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000436302949 338267723 /nfs/dbraw/zinc/26/77/23/338267723.db2.gz BBGTZGPVUIZTPK-AHRSYUTCSA-N 1 0 313.441 4.701 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000436318058 338268903 /nfs/dbraw/zinc/26/89/03/338268903.db2.gz XABMKEMDQVIEBF-SZMVWBNQSA-N 1 0 307.865 4.608 20 30 DJEDRO C=CCC[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000438984872 338357826 /nfs/dbraw/zinc/35/78/26/338357826.db2.gz MCSRHZKBZUVMMP-UWJYYQICSA-N 1 0 312.501 4.546 20 30 DJEDRO C=CCC[C@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000438984869 338357836 /nfs/dbraw/zinc/35/78/36/338357836.db2.gz MCSRHZKBZUVMMP-UTKZUKDTSA-N 1 0 312.501 4.546 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)CC(C)C)c1)C1CC1 ZINC000439078770 338360518 /nfs/dbraw/zinc/36/05/18/338360518.db2.gz OYSAXXBRMMRXDK-LJQANCHMSA-N 1 0 314.473 4.506 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000442781029 338430820 /nfs/dbraw/zinc/43/08/20/338430820.db2.gz NRSLHUHGZQJVLG-DGCLKSJQSA-N 1 0 311.256 4.553 20 30 DJEDRO Cc1ccc(SC2(C[NH2+][C@H]3CC[C@H](C#N)C3)CCCC2)cc1 ZINC000442794345 338431828 /nfs/dbraw/zinc/43/18/28/338431828.db2.gz RWZSAWYFEVNXET-IRXDYDNUSA-N 1 0 314.498 4.682 20 30 DJEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(Oc2ccccc2)c1 ZINC000442796370 338432153 /nfs/dbraw/zinc/43/21/53/338432153.db2.gz VMSQJEXLQRPRDL-AEFFLSMTSA-N 1 0 306.409 4.569 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000442849312 338434605 /nfs/dbraw/zinc/43/46/05/338434605.db2.gz BXXKMJNXSBMPRJ-YXGQEBDGSA-N 1 0 316.876 4.896 20 30 DJEDRO Cc1c(C[NH2+][C@H]2CC[C@H](C#N)C2)sc2ccc(Cl)cc12 ZINC000442854303 338434992 /nfs/dbraw/zinc/43/49/92/338434992.db2.gz KSHHAAKIGUEAKI-AAEUAGOBSA-N 1 0 304.846 4.645 20 30 DJEDRO N#CC1CCC(C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000442863254 338435899 /nfs/dbraw/zinc/43/58/99/338435899.db2.gz QTGJWZOJDYAPPB-UHFFFAOYSA-N 1 0 302.421 4.676 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000442866199 338436119 /nfs/dbraw/zinc/43/61/19/338436119.db2.gz VXRQLTROMMGDSF-CHWSQXEVSA-N 1 0 323.267 4.697 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000442868916 338436499 /nfs/dbraw/zinc/43/64/99/338436499.db2.gz ORMGAZLDABCCDI-JRSKDTKFSA-N 1 0 302.849 4.637 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000442869307 338436500 /nfs/dbraw/zinc/43/65/00/338436500.db2.gz PIMHUKKTGUVRRR-WTNGLUPJSA-N 1 0 302.849 4.711 20 30 DJEDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442872348 338436822 /nfs/dbraw/zinc/43/68/22/338436822.db2.gz YPIXWFVVLHKKAE-GRTSSRMGSA-N 1 0 319.518 4.730 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCC(C(F)(F)F)CC1 ZINC000442874464 338437085 /nfs/dbraw/zinc/43/70/85/338437085.db2.gz NFOCSUMKTZSOCX-AXQFOSQISA-N 1 0 316.411 4.663 20 30 DJEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000446758098 338535177 /nfs/dbraw/zinc/53/51/77/338535177.db2.gz FUFOFIOLXTZRBC-WMZOPIPTSA-N 1 0 322.452 4.799 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccc(F)c(F)c1 ZINC000446793699 338536130 /nfs/dbraw/zinc/53/61/30/338536130.db2.gz GWLCHFRQPWYJQZ-LJQANCHMSA-N 1 0 317.379 4.689 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447511237 338553327 /nfs/dbraw/zinc/55/33/27/338553327.db2.gz SNDJNMDLOHBBEG-PMACEKPBSA-N 1 0 308.425 4.759 20 30 DJEDRO CCCOCc1ccccc1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447528969 338554213 /nfs/dbraw/zinc/55/42/13/338554213.db2.gz KFDOPYHCCCIHGA-NRFANRHFSA-N 1 0 322.452 4.726 20 30 DJEDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447584118 338559160 /nfs/dbraw/zinc/55/91/60/338559160.db2.gz DXEMOXCLGBVICG-KSZLIROESA-N 1 0 302.487 4.663 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000447823794 338568041 /nfs/dbraw/zinc/56/80/41/338568041.db2.gz WOEACVQWSTXEED-LJQANCHMSA-N 1 0 317.436 4.874 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000449059875 338589207 /nfs/dbraw/zinc/58/92/07/338589207.db2.gz QWHUXVDQLRRDLK-ADKAHSJRSA-N 1 0 302.849 4.853 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449299365 338610762 /nfs/dbraw/zinc/61/07/62/338610762.db2.gz LYZLKVGPOYSTIV-KRWDZBQOSA-N 1 0 300.833 4.559 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC000451065609 338720345 /nfs/dbraw/zinc/72/03/45/338720345.db2.gz RNTCAYYHBGFGTO-IAGOWNOFSA-N 1 0 306.400 4.837 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451356700 338730997 /nfs/dbraw/zinc/73/09/97/338730997.db2.gz RWTUHOMRBYQNEU-MRXNPFEDSA-N 1 0 308.828 4.850 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453294077 338819849 /nfs/dbraw/zinc/81/98/49/338819849.db2.gz QMSIAUIWQNZFND-KKXDTOCCSA-N 1 0 302.849 4.853 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cc1 ZINC000453295929 338820179 /nfs/dbraw/zinc/82/01/79/338820179.db2.gz VRNTWHMCZMPQSF-RCBQFDQVSA-N 1 0 321.262 4.572 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc(C#N)cc1 ZINC000453381690 338835291 /nfs/dbraw/zinc/83/52/91/338835291.db2.gz RYPLDTQRFUKNRZ-UXHICEINSA-N 1 0 319.452 4.570 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)cc1F ZINC000453394052 338837237 /nfs/dbraw/zinc/83/72/37/338837237.db2.gz VRBHPJPTZDARTF-GOSISDBHSA-N 1 0 314.791 4.518 20 30 DJEDRO N#CCSCCC[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459750466 339046186 /nfs/dbraw/zinc/04/61/86/339046186.db2.gz PTSBBWLWMKOPJF-GOSISDBHSA-N 1 0 314.498 4.641 20 30 DJEDRO N#CCCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000461402247 339063205 /nfs/dbraw/zinc/06/32/05/339063205.db2.gz WHHCEWKNANGUMP-UHFFFAOYSA-N 1 0 318.779 4.665 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(F)cc2)CCCCC1 ZINC000462360880 339076601 /nfs/dbraw/zinc/07/66/01/339076601.db2.gz RBRODDGDVXIFMM-UHFFFAOYSA-N 1 0 316.464 4.947 20 30 DJEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000463101162 339105621 /nfs/dbraw/zinc/10/56/21/339105621.db2.gz CWUYSFBVLYNCGP-CMOCDZPBSA-N 1 0 316.448 4.562 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237133 339110956 /nfs/dbraw/zinc/11/09/56/339110956.db2.gz KFKBCVWRKZWVNS-OPYAIIAOSA-N 1 0 322.427 4.781 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000463247109 339111782 /nfs/dbraw/zinc/11/17/82/339111782.db2.gz UWSANVYQVLVENJ-NIKGAXFTSA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000463290920 339113715 /nfs/dbraw/zinc/11/37/15/339113715.db2.gz LUGVTNMZBMNGAQ-APWZRJJASA-N 1 0 324.493 4.745 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293733 339113856 /nfs/dbraw/zinc/11/38/56/339113856.db2.gz MOTZJKXCNHFICA-ROUUACIJSA-N 1 0 312.457 4.570 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000463297323 339113934 /nfs/dbraw/zinc/11/39/34/339113934.db2.gz KPPGTWVVZGTAAL-DUXKGJEZSA-N 1 0 304.437 4.756 20 30 DJEDRO COc1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)c1 ZINC000463304255 339114266 /nfs/dbraw/zinc/11/42/66/339114266.db2.gz VJWBAFFFECZROL-PXNSSMCTSA-N 1 0 320.436 4.534 20 30 DJEDRO CCCC[N@H+](CCCSCC#N)Cc1ccccc1Cl ZINC000466727024 339214430 /nfs/dbraw/zinc/21/44/30/339214430.db2.gz AXQPWJZEXWSWRY-UHFFFAOYSA-N 1 0 310.894 4.589 20 30 DJEDRO Cc1cccc([C@H]2CCCCC[N@@H+]2CCCSCC#N)c1 ZINC000466728751 339214630 /nfs/dbraw/zinc/21/46/30/339214630.db2.gz WEDRWKCXTCLBBB-GOSISDBHSA-N 1 0 302.487 4.559 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467359598 339233977 /nfs/dbraw/zinc/23/39/77/339233977.db2.gz ONSTVAJOXMNQKH-XWIAVFTESA-N 1 0 302.849 4.853 20 30 DJEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000467417281 339237422 /nfs/dbraw/zinc/23/74/22/339237422.db2.gz KGLIHRNBYLNGTD-DOTOQJQBSA-N 1 0 317.477 4.566 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446321 339239188 /nfs/dbraw/zinc/23/91/88/339239188.db2.gz DLSXRFXPVQTMDL-DGCLKSJQSA-N 1 0 309.240 4.654 20 30 DJEDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467449781 339239497 /nfs/dbraw/zinc/23/94/97/339239497.db2.gz KWXGZNNDZCOCLB-CHWSQXEVSA-N 1 0 314.429 4.831 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H](CCCC)c2ccccc2)CC1 ZINC000467849313 339247690 /nfs/dbraw/zinc/24/76/90/339247690.db2.gz GQZHEEGCDMAXPD-FQEVSTJZSA-N 1 0 300.490 4.548 20 30 DJEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468287733 339258980 /nfs/dbraw/zinc/25/89/80/339258980.db2.gz HIKSSEZYKFZKLG-CYBMUJFWSA-N 1 0 308.356 4.637 20 30 DJEDRO C[C@H]([N@H+](CCCSCC#N)Cc1ccccc1)C(C)(C)C ZINC000469446652 339289583 /nfs/dbraw/zinc/28/95/83/339289583.db2.gz QYLJYBHAUWFPCY-INIZCTEOSA-N 1 0 304.503 4.570 20 30 DJEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)F)c1 ZINC000470715081 339325802 /nfs/dbraw/zinc/32/58/02/339325802.db2.gz BQLMQRSIZRRIAM-UHFFFAOYSA-N 1 0 312.363 4.684 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000471582129 339348083 /nfs/dbraw/zinc/34/80/83/339348083.db2.gz SZEQHXZEXGEODL-KCXAZCMYSA-N 1 0 310.363 4.684 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471621796 339349772 /nfs/dbraw/zinc/34/97/72/339349772.db2.gz UIDHARHBOCLVDA-RCBQFDQVSA-N 1 0 310.363 4.684 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000471718125 339352266 /nfs/dbraw/zinc/35/22/66/339352266.db2.gz TVFHMUVVAVLWBV-HXUWFJFHSA-N 1 0 306.453 4.890 20 30 DJEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCCC(C)(C)C#N ZINC000472246969 339367481 /nfs/dbraw/zinc/36/74/81/339367481.db2.gz NMIWPXCKXFDDJS-SFHVURJKSA-N 1 0 304.453 4.655 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000474481108 339416972 /nfs/dbraw/zinc/41/69/72/339416972.db2.gz UFBSLQNGSJGZOJ-IQFARLITSA-N 1 0 324.390 4.966 20 30 DJEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000475512295 339453547 /nfs/dbraw/zinc/45/35/47/339453547.db2.gz YKVWWMRPBBEODR-TZMCWYRMSA-N 1 0 311.267 4.630 20 30 DJEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000479391003 339532814 /nfs/dbraw/zinc/53/28/14/339532814.db2.gz MDJJTWBQZMUPMT-OLZOCXBDSA-N 1 0 311.267 4.630 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1cc(F)ccc1C)c1ccc(F)c(F)c1 ZINC000479400770 339533261 /nfs/dbraw/zinc/53/32/61/339533261.db2.gz ZZWZAUHLZXIJRT-SFHVURJKSA-N 1 0 305.343 4.819 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000479469467 339536826 /nfs/dbraw/zinc/53/68/26/339536826.db2.gz WPNPDHSNAWHFBF-BLVKFPJESA-N 1 0 312.363 4.565 20 30 DJEDRO COCCCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000479501019 339538333 /nfs/dbraw/zinc/53/83/33/339538333.db2.gz WFOGTXDPAQRFIS-LAUBAEHRSA-N 1 0 322.452 4.767 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000479528794 339539600 /nfs/dbraw/zinc/53/96/00/339539600.db2.gz OXOZMKSEDBRYSO-BOUXLOLZSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000481654372 339608782 /nfs/dbraw/zinc/60/87/82/339608782.db2.gz VETVHJOXDAVXAZ-YCRPNKLZSA-N 1 0 315.420 4.548 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1(c2ccccc2)CC1 ZINC000481998996 339619175 /nfs/dbraw/zinc/61/91/75/339619175.db2.gz FJMWDGCSEOAQHH-HXUWFJFHSA-N 1 0 302.421 4.605 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc2ccccc2c1OC(F)F ZINC000482438657 339631355 /nfs/dbraw/zinc/63/13/55/339631355.db2.gz MWZGHACBUJZWCT-CYBMUJFWSA-N 1 0 318.367 4.786 20 30 DJEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000483637531 339670269 /nfs/dbraw/zinc/67/02/69/339670269.db2.gz HTDYIPJHXBXUCZ-ZFWWWQNUSA-N 1 0 317.408 4.580 20 30 DJEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000483668868 339671357 /nfs/dbraw/zinc/67/13/57/339671357.db2.gz LVYOBBQPOLKFRQ-HIFRSBDPSA-N 1 0 317.408 4.580 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000485817791 339713606 /nfs/dbraw/zinc/71/36/06/339713606.db2.gz LFBWDQNVBKNKFA-QWHCGFSZSA-N 1 0 307.422 4.580 20 30 DJEDRO Cc1cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N ZINC000500431485 340058444 /nfs/dbraw/zinc/05/84/44/340058444.db2.gz XTWOXBJOWLABQT-LIRRHRJNSA-N 1 0 310.828 4.545 20 30 DJEDRO C[C@@H]1C[C@@]1([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000503412476 340127712 /nfs/dbraw/zinc/12/77/12/340127712.db2.gz VCPLWZWTPIMYCE-KDOFPFPSSA-N 1 0 304.865 4.885 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000503853762 340135138 /nfs/dbraw/zinc/13/51/38/340135138.db2.gz FGKULZSMNFWZHV-DJJJIMSYSA-N 1 0 314.379 4.884 20 30 DJEDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000503946923 340138200 /nfs/dbraw/zinc/13/82/00/340138200.db2.gz LDVHJLVCOYGVKE-CHWSQXEVSA-N 1 0 314.429 4.831 20 30 DJEDRO C=CCOc1ccc(C[N@@H+](Cc2ccc(C#N)o2)C(C)(C)C)cc1 ZINC000506045979 340184154 /nfs/dbraw/zinc/18/41/54/340184154.db2.gz OPHOBOPMJCTGPZ-UHFFFAOYSA-N 1 0 324.424 4.517 20 30 DJEDRO CC(C)(CCC#N)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000506327922 340192475 /nfs/dbraw/zinc/19/24/75/340192475.db2.gz XFVGPNTVMOQUSV-OAQYLSRUSA-N 1 0 318.464 4.964 20 30 DJEDRO Cc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC000507655135 340227240 /nfs/dbraw/zinc/22/72/40/340227240.db2.gz ZTWHNTWHZVTRKK-UHFFFAOYSA-N 1 0 322.427 4.628 20 30 DJEDRO CCc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000507652047 340227247 /nfs/dbraw/zinc/22/72/47/340227247.db2.gz HCASXGXVHRJGGJ-UHFFFAOYSA-N 1 0 324.493 4.804 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000507651440 340227341 /nfs/dbraw/zinc/22/73/41/340227341.db2.gz SONVMEIJWSUELH-IRQNMHNUSA-N 1 0 316.448 4.668 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000507714687 340229357 /nfs/dbraw/zinc/22/93/57/340229357.db2.gz PMEBWWSMHQXOPQ-UHFFFAOYSA-N 1 0 314.816 4.726 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@H](C)c1ccccc1OC ZINC000508625824 340248649 /nfs/dbraw/zinc/24/86/49/340248649.db2.gz ROGIJAAEZYZLDH-CQSZACIVSA-N 1 0 314.454 4.602 20 30 DJEDRO N#CC1(F)CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000510889561 340313998 /nfs/dbraw/zinc/31/39/98/340313998.db2.gz XPWSDWKTGPGNEM-UHFFFAOYSA-N 1 0 300.421 4.562 20 30 DJEDRO Cc1cccc([C@H]([NH2+]CC2(CC#N)CC2)c2cccc(F)c2)c1 ZINC000510992193 340317413 /nfs/dbraw/zinc/31/74/13/340317413.db2.gz LYGQCGFUCKFSNL-IBGZPJMESA-N 1 0 308.400 4.507 20 30 DJEDRO CSc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000511116056 340321278 /nfs/dbraw/zinc/32/12/78/340321278.db2.gz PQHWNUSFUVRNSJ-OALUTQOASA-N 1 0 322.477 4.680 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1F ZINC000512288092 340355620 /nfs/dbraw/zinc/35/56/20/340355620.db2.gz MAGGRAKZJIIZIV-LAPQFRIASA-N 1 0 308.400 4.672 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)[C@@H](C)C2 ZINC000512294727 340355890 /nfs/dbraw/zinc/35/58/90/340355890.db2.gz KBDPJYHKVPDEPE-LRDNONRASA-N 1 0 308.400 4.590 20 30 DJEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(Cl)s1 ZINC000512506032 340364708 /nfs/dbraw/zinc/36/47/08/340364708.db2.gz GEVQIFVRQIBEBT-UHFFFAOYSA-N 1 0 323.893 4.757 20 30 DJEDRO C=C(C)C[N@@H+](C/C=C\c1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512532780 340365814 /nfs/dbraw/zinc/36/58/14/340365814.db2.gz VECSIXRHCADCAS-FLIBITNWSA-N 1 0 309.457 4.556 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(Cl)c1 ZINC000512621283 340369408 /nfs/dbraw/zinc/36/94/08/340369408.db2.gz WFKIIINHNIVPQT-QWRGUYRKSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1F ZINC000512626869 340369737 /nfs/dbraw/zinc/36/97/37/340369737.db2.gz XCHNTCMZZBMVGH-AWEZNQCLSA-N 1 0 310.416 4.846 20 30 DJEDRO C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512628699 340369825 /nfs/dbraw/zinc/36/98/25/340369825.db2.gz GGBXNRFHBWYIJZ-GHMZBOCLSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1F ZINC000512653520 340371073 /nfs/dbraw/zinc/37/10/73/340371073.db2.gz FTOWSEXELAAELS-ORAYPTAESA-N 1 0 308.400 4.771 20 30 DJEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404053894 340375650 /nfs/dbraw/zinc/37/56/50/340375650.db2.gz GDTQAJGBCJUZIP-LBPRGKRZSA-N 1 0 302.780 4.544 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cc(C)ccc1OC(F)F)c1ccco1 ZINC000513673795 340418672 /nfs/dbraw/zinc/41/86/72/340418672.db2.gz XKMYJCNDFWYFDS-HNNXBMFYSA-N 1 0 321.367 4.987 20 30 DJEDRO CCSc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000185604381 340503414 /nfs/dbraw/zinc/50/34/14/340503414.db2.gz DSWGOBHFPWYNAB-LJQANCHMSA-N 1 0 310.466 4.933 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000192149109 340563084 /nfs/dbraw/zinc/56/30/84/340563084.db2.gz PQENTQRUNUBSTI-KRWDZBQOSA-N 1 0 302.780 4.592 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccc(C#N)cc1 ZINC000524680640 340660935 /nfs/dbraw/zinc/66/09/35/340660935.db2.gz LSYLTGOFALZFKK-CQSZACIVSA-N 1 0 320.367 4.808 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000236740307 340664388 /nfs/dbraw/zinc/66/43/88/340664388.db2.gz HVQTZMFWERADKB-OAQYLSRUSA-N 1 0 322.452 4.856 20 30 DJEDRO C[C@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000538177558 340812187 /nfs/dbraw/zinc/81/21/87/340812187.db2.gz ZROKYJFNTXYALK-KCJUWKMLSA-N 1 0 317.248 4.607 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000538509094 340829739 /nfs/dbraw/zinc/82/97/39/340829739.db2.gz YHOSNQUKOBGJFA-YJYMSZOUSA-N 1 0 308.400 4.771 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)c(F)c1 ZINC000538509092 340829750 /nfs/dbraw/zinc/82/97/50/340829750.db2.gz YHOSNQUKOBGJFA-DJJJIMSYSA-N 1 0 308.400 4.771 20 30 DJEDRO C=CCC[C@H](CC)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092339 340872682 /nfs/dbraw/zinc/87/26/82/340872682.db2.gz VZOQXAFURJQASI-SFHVURJKSA-N 1 0 321.892 4.723 20 30 DJEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000539105237 340873691 /nfs/dbraw/zinc/87/36/91/340873691.db2.gz OSWPTAVONFAQSD-UHFFFAOYSA-N 1 0 316.379 4.654 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000539198293 340875749 /nfs/dbraw/zinc/87/57/49/340875749.db2.gz MZVZLQHCTWOMLX-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1Cl ZINC000539288508 340879227 /nfs/dbraw/zinc/87/92/27/340879227.db2.gz KKLRFCSOORAOBW-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO CC(C)(C#N)CCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000539331370 340881515 /nfs/dbraw/zinc/88/15/15/340881515.db2.gz JERCHTFSLWXRJC-UHFFFAOYSA-N 1 0 311.256 4.902 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000539608574 340892512 /nfs/dbraw/zinc/89/25/12/340892512.db2.gz RZBHNYKFBYPCRM-ZMZPIMSZSA-N 1 0 318.342 4.777 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(C#N)c(F)c1 ZINC000539609607 340892522 /nfs/dbraw/zinc/89/25/22/340892522.db2.gz WSTHBLCXPQOEFL-AWEZNQCLSA-N 1 0 320.367 4.808 20 30 DJEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl ZINC000539615088 340892934 /nfs/dbraw/zinc/89/29/34/340892934.db2.gz HTWDPJPORIHYCJ-SECBINFHSA-N 1 0 303.208 4.723 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000539771219 340899273 /nfs/dbraw/zinc/89/92/73/340899273.db2.gz HAUOIOJQWKDOGA-GOSISDBHSA-N 1 0 300.421 4.681 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000540170954 340920253 /nfs/dbraw/zinc/92/02/53/340920253.db2.gz NIIZAUCLBFWFTP-UWVGGRQHSA-N 1 0 321.314 4.505 20 30 DJEDRO C[C@H]([NH2+]CCc1csc2ccccc12)c1ccc(C#N)cc1 ZINC000540597499 340937809 /nfs/dbraw/zinc/93/78/09/340937809.db2.gz SZQIMPIAOVQQAU-AWEZNQCLSA-N 1 0 306.434 4.666 20 30 DJEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCC(C)(C)C#N ZINC000540713571 340942840 /nfs/dbraw/zinc/94/28/40/340942840.db2.gz HZBRVONZEKLTDT-QGZVFWFLSA-N 1 0 302.462 4.702 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000540918338 340951595 /nfs/dbraw/zinc/95/15/95/340951595.db2.gz ZHLZCRTXFGWCNL-PJSUUKDQSA-N 1 0 308.400 4.672 20 30 DJEDRO COCCCCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541087080 340958590 /nfs/dbraw/zinc/95/85/90/340958590.db2.gz WBXQDRCOTGFRSV-KRWDZBQOSA-N 1 0 322.452 4.693 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000542211751 341000339 /nfs/dbraw/zinc/00/03/39/341000339.db2.gz ODURIKNCEQDXFK-HXUWFJFHSA-N 1 0 308.400 4.523 20 30 DJEDRO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC000542882869 341025031 /nfs/dbraw/zinc/02/50/31/341025031.db2.gz HXQVUEHVODFXOU-INIZCTEOSA-N 1 0 321.262 4.526 20 30 DJEDRO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC(CC#N)CC1 ZINC000542881373 341025140 /nfs/dbraw/zinc/02/51/40/341025140.db2.gz FDMDHOBFDHRWPN-UHFFFAOYSA-N 1 0 322.452 4.753 20 30 DJEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000543183256 341035623 /nfs/dbraw/zinc/03/56/23/341035623.db2.gz LRLDXWJONRIPRG-JSNMRZPZSA-N 1 0 324.855 4.893 20 30 DJEDRO N#CCCC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000543427377 341044016 /nfs/dbraw/zinc/04/40/16/341044016.db2.gz ZMZUOWBVSZZTMZ-HOTGVXAUSA-N 1 0 310.363 4.625 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544039476 341067520 /nfs/dbraw/zinc/06/75/20/341067520.db2.gz ITROOIILCWWCMC-QRWLVFNGSA-N 1 0 322.477 4.771 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000544039452 341067617 /nfs/dbraw/zinc/06/76/17/341067617.db2.gz ITROOIILCWWCMC-FOIQADDNSA-N 1 0 322.477 4.771 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(F)cc1F ZINC000544115816 341070901 /nfs/dbraw/zinc/07/09/01/341070901.db2.gz AUQFGCIUIMPNHS-IBGZPJMESA-N 1 0 314.379 4.518 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000544119093 341070979 /nfs/dbraw/zinc/07/09/79/341070979.db2.gz QINPRAVQGRQDGG-INIZCTEOSA-N 1 0 300.405 4.757 20 30 DJEDRO C=CCC(CC=C)c1nc(-c2ccccc2C[NH+]2CCCC2)no1 ZINC000545534054 341129244 /nfs/dbraw/zinc/12/92/44/341129244.db2.gz XPWUFHAYRDTZSV-UHFFFAOYSA-N 1 0 323.440 4.568 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000546165783 341155406 /nfs/dbraw/zinc/15/54/06/341155406.db2.gz DFQUDKNJAYXEKU-HUUCEWRRSA-N 1 0 322.427 4.988 20 30 DJEDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000546178518 341156120 /nfs/dbraw/zinc/15/61/20/341156120.db2.gz GCRLEWHKIZHULU-SNVBAGLBSA-N 1 0 317.248 4.665 20 30 DJEDRO N#CCSCCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000074989093 341159001 /nfs/dbraw/zinc/15/90/01/341159001.db2.gz VAOFPRYWVFDTQS-IBGZPJMESA-N 1 0 310.466 4.624 20 30 DJEDRO C[C@@H](c1ccccc1Cl)[N@H+](CCCSCC#N)C1CC1 ZINC000074990085 341159129 /nfs/dbraw/zinc/15/91/29/341159129.db2.gz GSJSWBDZSQQCHX-ZDUSSCGKSA-N 1 0 308.878 4.512 20 30 DJEDRO C=CCC(CC=C)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000546391863 341166323 /nfs/dbraw/zinc/16/63/23/341166323.db2.gz AEOYUDFVJMVPQS-UHFFFAOYSA-N 1 0 323.440 4.568 20 30 DJEDRO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(C#N)o1 ZINC000236762225 341198674 /nfs/dbraw/zinc/19/86/74/341198674.db2.gz JIOMBFALYQZDLT-UHFFFAOYSA-N 1 0 323.223 4.569 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CCCOc1ccc2ccccc2c1 ZINC000134418069 341214917 /nfs/dbraw/zinc/21/49/17/341214917.db2.gz JHEYSNTVUQPRTO-UHFFFAOYSA-N 1 0 310.441 4.528 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](CC2CCCCC2)c2ccccc2)o1 ZINC000237843718 341221767 /nfs/dbraw/zinc/22/17/67/341221767.db2.gz ZIZCJQRHSDUGDD-HXUWFJFHSA-N 1 0 308.425 4.953 20 30 DJEDRO COc1cccc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000547751021 341230328 /nfs/dbraw/zinc/23/03/28/341230328.db2.gz GMMQMCMCLUUXMK-MRXNPFEDSA-N 1 0 320.436 4.507 20 30 DJEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000135242958 341234119 /nfs/dbraw/zinc/23/41/19/341234119.db2.gz VLLSFIUCIDIHHP-INIZCTEOSA-N 1 0 322.452 4.776 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)s1 ZINC000135673828 341243775 /nfs/dbraw/zinc/24/37/75/341243775.db2.gz LWHDWZFCQRNTEK-CQSZACIVSA-N 1 0 320.870 4.600 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000135674198 341243782 /nfs/dbraw/zinc/24/37/82/341243782.db2.gz JNLBJZQEEDGILM-INIZCTEOSA-N 1 0 304.846 4.760 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000135688219 341244166 /nfs/dbraw/zinc/24/41/66/341244166.db2.gz HXSDPONSVAGUHX-INIZCTEOSA-N 1 0 302.418 4.636 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865788 341305538 /nfs/dbraw/zinc/30/55/38/341305538.db2.gz DCQGZJGCMUQVBT-DZGCQCFKSA-N 1 0 322.374 4.577 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000549997611 341308350 /nfs/dbraw/zinc/30/83/50/341308350.db2.gz NHSWYEIGSTUNIN-ZFVVBOAOSA-N 1 0 322.374 4.623 20 30 DJEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000550351052 341315530 /nfs/dbraw/zinc/31/55/30/341315530.db2.gz UXSDYSORHDMWSY-AWEZNQCLSA-N 1 0 310.828 4.937 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000551007124 341328948 /nfs/dbraw/zinc/32/89/48/341328948.db2.gz LKTHVHWGSQRBBJ-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)c2ccccc21 ZINC000551175850 341333086 /nfs/dbraw/zinc/33/30/86/341333086.db2.gz MZQZDNAWDQUPKF-QQFBHYJXSA-N 1 0 310.416 4.959 20 30 DJEDRO N#Cc1cccc(C2([NH2+]Cc3csc4ccccc34)CC2)c1 ZINC000551226650 341334475 /nfs/dbraw/zinc/33/44/75/341334475.db2.gz UOQNJKWSEBWLAK-UHFFFAOYSA-N 1 0 304.418 4.552 20 30 DJEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCCC2 ZINC000551805743 341352489 /nfs/dbraw/zinc/35/24/89/341352489.db2.gz YFPAKODCOJCPCL-CQSZACIVSA-N 1 0 322.477 4.838 20 30 DJEDRO C=CCC[C@H]([NH2+]CCCCc1nc(C)cs1)c1ccco1 ZINC000552045094 341364563 /nfs/dbraw/zinc/36/45/63/341364563.db2.gz YAGZHZWHFBHUQQ-HNNXBMFYSA-N 1 0 304.459 4.664 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccco1 ZINC000552047483 341364843 /nfs/dbraw/zinc/36/48/43/341364843.db2.gz NXAXIEBHZRYGIE-KRWDZBQOSA-N 1 0 312.388 4.740 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccco1 ZINC000552068384 341367181 /nfs/dbraw/zinc/36/71/81/341367181.db2.gz UWWWFYIJGHYGPP-CQSZACIVSA-N 1 0 309.331 4.537 20 30 DJEDRO C=CCC[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccco1 ZINC000552262346 341382243 /nfs/dbraw/zinc/38/22/43/341382243.db2.gz RCJMQBYZLKQKOX-JCYILVPMSA-N 1 0 305.462 4.860 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)cc1 ZINC000552323732 341386613 /nfs/dbraw/zinc/38/66/13/341386613.db2.gz PPRCCUPMUPHVAX-GFCCVEGCSA-N 1 0 321.342 4.520 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901994 341389874 /nfs/dbraw/zinc/38/98/74/341389874.db2.gz UNZVAPIYLSENRP-XPGWFJOJSA-N 1 0 308.400 4.587 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000249206441 341395339 /nfs/dbraw/zinc/39/53/39/341395339.db2.gz WCEVBJFKEQVECO-PMPSAXMXSA-N 1 0 310.363 4.742 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1F ZINC000552969324 341411093 /nfs/dbraw/zinc/41/10/93/341411093.db2.gz MTOOFFHXIMHTNA-CWTRNNRKSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccco1 ZINC000091412091 341425983 /nfs/dbraw/zinc/42/59/83/341425983.db2.gz YJGFRVNFDGWKBB-HNNXBMFYSA-N 1 0 302.377 4.669 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000554074791 341442764 /nfs/dbraw/zinc/44/27/64/341442764.db2.gz GKIWKVKYSLQXGN-NVXWUHKLSA-N 1 0 304.865 4.896 20 30 DJEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000565546528 341530640 /nfs/dbraw/zinc/53/06/40/341530640.db2.gz YDLAPNJLFBLGMQ-MGPUTAFESA-N 1 0 320.436 4.604 20 30 DJEDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264390266 341578311 /nfs/dbraw/zinc/57/83/11/341578311.db2.gz RSXRMIMHUMBABQ-MRXNPFEDSA-N 1 0 308.425 4.563 20 30 DJEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000567798163 341634096 /nfs/dbraw/zinc/63/40/96/341634096.db2.gz FYBAMDBHDMHDIZ-OBVPDXSSSA-N 1 0 320.411 4.598 20 30 DJEDRO C[C@H]([NH2+]CCc1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000568872666 341683989 /nfs/dbraw/zinc/68/39/89/341683989.db2.gz RWPNAGBDLRCFHT-AWEZNQCLSA-N 1 0 306.434 4.666 20 30 DJEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000569055310 341689463 /nfs/dbraw/zinc/68/94/63/341689463.db2.gz FUQSDTMQBGZKGL-BTYIYWSLSA-N 1 0 320.436 4.684 20 30 DJEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCC(CC#N)CC1 ZINC000573883064 341742114 /nfs/dbraw/zinc/74/21/14/341742114.db2.gz RMOSFKZBQXIGIG-SDNWHVSQSA-N 1 0 322.374 4.734 20 30 DJEDRO Cc1ccc([C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000574561442 341762144 /nfs/dbraw/zinc/76/21/44/341762144.db2.gz HAWNHSCDAYOGQC-LEWJYISDSA-N 1 0 302.421 4.595 20 30 DJEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000174446153 341827216 /nfs/dbraw/zinc/82/72/16/341827216.db2.gz HOKDFAVDPHYISC-KRWDZBQOSA-N 1 0 302.805 4.682 20 30 DJEDRO N#Cc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)ccc1F ZINC000176802960 341900860 /nfs/dbraw/zinc/90/08/60/341900860.db2.gz OLRTUTMBMYIJID-GOSISDBHSA-N 1 0 314.791 4.592 20 30 DJEDRO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000121879666 517488898 /nfs/dbraw/zinc/48/88/98/517488898.db2.gz ACBRGLTXCZBIKT-HXUWFJFHSA-N 1 0 320.436 4.685 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839314 525652999 /nfs/dbraw/zinc/65/29/99/525652999.db2.gz JPJGHXMOXGAION-XHBSWPGZSA-N 1 0 314.479 4.896 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130431501 525653208 /nfs/dbraw/zinc/65/32/08/525653208.db2.gz JPJGHXMOXGAION-HWWQOWPSSA-N 1 0 314.479 4.896 20 30 DJEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000449084876 331751846 /nfs/dbraw/zinc/75/18/46/331751846.db2.gz JDJIUCVUVHELGQ-UHFFFAOYSA-N 1 0 304.865 4.680 20 30 DJEDRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1cccc(C#N)c1 ZINC000557367091 331785543 /nfs/dbraw/zinc/78/55/43/331785543.db2.gz AEAQDAZVHWDMDV-CQSZACIVSA-N 1 0 310.828 4.942 20 30 DJEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000557518171 331797043 /nfs/dbraw/zinc/79/70/43/331797043.db2.gz VIEVFRJGXFLGAB-QVKFZJNVSA-N 1 0 320.436 4.685 20 30 DJEDRO CCc1ccc(-c2ccc(C[NH2+]Cc3cccc(C#N)c3)o2)cc1 ZINC000557693876 331809069 /nfs/dbraw/zinc/80/90/69/331809069.db2.gz VTENXAOUODWHEQ-UHFFFAOYSA-N 1 0 316.404 4.670 20 30 DJEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc2cc[nH]c21 ZINC000569411125 332078122 /nfs/dbraw/zinc/07/81/22/332078122.db2.gz WOCYUJKZRSTDCA-UHFFFAOYSA-N 1 0 322.456 4.524 20 30 DJEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665032 332092228 /nfs/dbraw/zinc/09/22/28/332092228.db2.gz FHNREWQIRGRYGK-LEWJYISDSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(F)cc(F)c1 ZINC000090665756 332092456 /nfs/dbraw/zinc/09/24/56/332092456.db2.gz YVJVGVJNIGJQGD-FZKQIMNGSA-N 1 0 300.352 4.660 20 30 DJEDRO CC[N@H+](Cc1ccc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000569507112 332112585 /nfs/dbraw/zinc/11/25/85/332112585.db2.gz GGARDRLFIJXNTH-QGZVFWFLSA-N 1 0 321.468 4.968 20 30 DJEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000573794339 332276221 /nfs/dbraw/zinc/27/62/21/332276221.db2.gz GRSLHVUXPZRYRO-KSSFIOAISA-N 1 0 315.848 4.604 20 30 DJEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000426065068 335099162 /nfs/dbraw/zinc/09/91/62/335099162.db2.gz XKFMNBUEFMTJMH-LRDDRELGSA-N 1 0 310.363 4.646 20 30 DJEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000560260695 332324893 /nfs/dbraw/zinc/32/48/93/332324893.db2.gz XRCQNBGBGWDYKV-GOSISDBHSA-N 1 0 310.828 4.942 20 30 DJEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560261095 332325100 /nfs/dbraw/zinc/32/51/00/332325100.db2.gz HXPAUMUJXMKFKJ-OAHLLOKOSA-N 1 0 316.404 4.953 20 30 DJEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000560261094 332325131 /nfs/dbraw/zinc/32/51/31/332325131.db2.gz HXPAUMUJXMKFKJ-HNNXBMFYSA-N 1 0 316.404 4.953 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2cc3cc(C)ccc3o2)cc1 ZINC000560496812 332346688 /nfs/dbraw/zinc/34/66/88/332346688.db2.gz LBOGSLUOBODFAK-UHFFFAOYSA-N 1 0 307.393 4.596 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cccc(CSC)c1)c1ccco1 ZINC000560549106 332357303 /nfs/dbraw/zinc/35/73/03/332357303.db2.gz VYFGFKRZGPZIRA-QGZVFWFLSA-N 1 0 301.455 4.940 20 30 DJEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCCCC#N ZINC000118954033 332358552 /nfs/dbraw/zinc/35/85/52/332358552.db2.gz RXXCAMXKTAABJA-AWEZNQCLSA-N 1 0 313.470 4.771 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000560561142 332358611 /nfs/dbraw/zinc/35/86/11/332358611.db2.gz DZBARRCIIGSBNJ-ROUKRRSUSA-N 1 0 308.400 4.864 20 30 DJEDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000323165684 332376032 /nfs/dbraw/zinc/37/60/32/332376032.db2.gz UKUUIHDZDWMHJT-LJQANCHMSA-N 1 0 310.416 4.964 20 30 DJEDRO CC(C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000566416151 332395335 /nfs/dbraw/zinc/39/53/35/332395335.db2.gz NSLRALVVWWRUMC-HXUWFJFHSA-N 1 0 307.441 4.564 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000561139540 332416302 /nfs/dbraw/zinc/41/63/02/332416302.db2.gz DTMYKDSELTVUAI-IVZQSRNASA-N 1 0 316.448 4.775 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC2 ZINC000561139555 332416408 /nfs/dbraw/zinc/41/64/08/332416408.db2.gz DTMYKDSELTVUAI-NYHFZMIOSA-N 1 0 316.448 4.775 20 30 DJEDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)ccc1C#N ZINC000562331105 332578306 /nfs/dbraw/zinc/57/83/06/332578306.db2.gz USEMFTZQCFMUGS-MRXNPFEDSA-N 1 0 308.425 4.505 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000153568117 332722467 /nfs/dbraw/zinc/72/24/67/332722467.db2.gz QLOWCMGRKIDIPX-GDBMZVCRSA-N 1 0 310.363 4.625 20 30 DJEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(C)(C)CCC#N)c1 ZINC000570472291 332759638 /nfs/dbraw/zinc/75/96/38/332759638.db2.gz KNOSGEKYXDBTRP-CYBMUJFWSA-N 1 0 310.388 4.577 20 30 DJEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCCC#N ZINC000178640608 333141748 /nfs/dbraw/zinc/14/17/48/333141748.db2.gz VHOZDSVTKOTXAU-GFCCVEGCSA-N 1 0 317.433 4.602 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541067 333162826 /nfs/dbraw/zinc/16/28/26/333162826.db2.gz HDXQMASGJWAJAX-QYWGDWMGSA-N 1 0 320.436 4.878 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000430736070 335126952 /nfs/dbraw/zinc/12/69/52/335126952.db2.gz BXLDVDMTHMKOBA-XJKSGUPXSA-N 1 0 323.267 4.913 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(-c2ccccc2)cs1 ZINC000185817773 333214637 /nfs/dbraw/zinc/21/46/37/333214637.db2.gz NVALAVZKTPXKLY-DZKIICNBSA-N 1 0 311.454 4.543 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC000185843546 333215043 /nfs/dbraw/zinc/21/50/43/333215043.db2.gz RHDKOBVRQLSJIF-STQMWFEESA-N 1 0 302.468 4.571 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O ZINC000186150556 333217369 /nfs/dbraw/zinc/21/73/69/333217369.db2.gz DYZPIVZBYQJUSW-CXAGYDPISA-N 1 0 314.816 4.741 20 30 DJEDRO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000497585765 333266411 /nfs/dbraw/zinc/26/64/11/333266411.db2.gz SMAPBDSFJNHNRQ-LBPRGKRZSA-N 1 0 302.780 4.544 20 30 DJEDRO CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621104 333270739 /nfs/dbraw/zinc/27/07/39/333270739.db2.gz SDEHIFHHPUJGAQ-FUHIMQAGSA-N 1 0 314.473 4.536 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000160737222 333483366 /nfs/dbraw/zinc/48/33/66/333483366.db2.gz ZBRAIPYDMKYOHP-KZULUSFZSA-N 1 0 300.352 4.638 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(C)c1 ZINC000414087314 333893902 /nfs/dbraw/zinc/89/39/02/333893902.db2.gz ADNMJZFQWQLRDV-UZLBHIALSA-N 1 0 308.425 4.699 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(C)c1 ZINC000414087313 333893915 /nfs/dbraw/zinc/89/39/15/333893915.db2.gz ADNMJZFQWQLRDV-OXQOHEQNSA-N 1 0 308.425 4.699 20 30 DJEDRO CCCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000266771852 333976000 /nfs/dbraw/zinc/97/60/00/333976000.db2.gz JUEZYQQQGSZCQT-HXUWFJFHSA-N 1 0 308.425 4.610 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274629037 334064088 /nfs/dbraw/zinc/06/40/88/334064088.db2.gz OMLMQHMZOWETFJ-FRQCXROJSA-N 1 0 320.436 4.705 20 30 DJEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282127581 334131805 /nfs/dbraw/zinc/13/18/05/334131805.db2.gz YKQSKNJJNJDUKY-IBGZPJMESA-N 1 0 314.473 4.560 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000292721046 334191366 /nfs/dbraw/zinc/19/13/66/334191366.db2.gz APXOAECJSUAKSQ-DZGCQCFKSA-N 1 0 320.889 4.589 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000340428854 334198218 /nfs/dbraw/zinc/19/82/18/334198218.db2.gz BESMARCQVNJRRA-FOIQADDNSA-N 1 0 321.399 4.783 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000340428861 334198286 /nfs/dbraw/zinc/19/82/86/334198286.db2.gz BESMARCQVNJRRA-QRWLVFNGSA-N 1 0 321.399 4.783 20 30 DJEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340431063 334198403 /nfs/dbraw/zinc/19/84/03/334198403.db2.gz JITLGHHXKGPPJF-APWZRJJASA-N 1 0 308.425 4.781 20 30 DJEDRO COc1ccccc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340431066 334198509 /nfs/dbraw/zinc/19/85/09/334198509.db2.gz JITLGHHXKGPPJF-VQIMIIECSA-N 1 0 308.425 4.781 20 30 DJEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447196 334204290 /nfs/dbraw/zinc/20/42/90/334204290.db2.gz PIXPWOAWFKUIID-OXJNMPFZSA-N 1 0 310.416 4.781 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447960 334204541 /nfs/dbraw/zinc/20/45/41/334204541.db2.gz QGSNTXKBGWWXQN-SFTDATJTSA-N 1 0 320.436 4.794 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449736 334205445 /nfs/dbraw/zinc/20/54/45/334205445.db2.gz WOPUXYNTLCBNGJ-WOJBJXKFSA-N 1 0 308.400 4.838 20 30 DJEDRO COc1ccsc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340451812 334205865 /nfs/dbraw/zinc/20/58/65/334205865.db2.gz OYLBKPXEUMHJBN-GDBMZVCRSA-N 1 0 314.454 4.842 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(C#N)c1 ZINC000340453941 334206558 /nfs/dbraw/zinc/20/65/58/334206558.db2.gz SDULXHZBBYZFKE-OXQOHEQNSA-N 1 0 303.409 4.644 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340457981 334207649 /nfs/dbraw/zinc/20/76/49/334207649.db2.gz XEWVUTHPNAHOSL-FXAWDEMLSA-N 1 0 321.468 4.838 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1Br ZINC000453289755 334248708 /nfs/dbraw/zinc/24/87/08/334248708.db2.gz ITWPZICKWMJLFY-HEHGZKQESA-N 1 0 321.262 4.572 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000531951317 334308988 /nfs/dbraw/zinc/30/89/88/334308988.db2.gz BADPQEJXTJSYAP-CABCVRRESA-N 1 0 301.393 4.518 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000531951318 334309108 /nfs/dbraw/zinc/30/91/08/334309108.db2.gz BADPQEJXTJSYAP-GJZGRUSLSA-N 1 0 301.393 4.518 20 30 DJEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1Oc1cccnc1 ZINC000342306154 334526990 /nfs/dbraw/zinc/52/69/90/334526990.db2.gz QWXJYMUIBMKDCK-UHFFFAOYSA-N 1 0 323.440 4.602 20 30 DJEDRO C[C@H]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000342801779 334573161 /nfs/dbraw/zinc/57/31/61/334573161.db2.gz YKGOMRMFBMHXJE-YWZLYKJASA-N 1 0 302.421 4.776 20 30 DJEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000187978047 334606961 /nfs/dbraw/zinc/60/69/61/334606961.db2.gz PQGUIEBOCPLYHP-HNNXBMFYSA-N 1 0 314.498 4.592 20 30 DJEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000441374640 334705991 /nfs/dbraw/zinc/70/59/91/334705991.db2.gz WPPZRKSHVJJNKC-UHFFFAOYSA-N 1 0 310.466 4.835 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000417372311 334764971 /nfs/dbraw/zinc/76/49/71/334764971.db2.gz VTTZWZGDXKXBFV-VFNWGFHPSA-N 1 0 320.436 4.604 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C#N)cs1)CCC2 ZINC000535690826 335730865 /nfs/dbraw/zinc/73/08/65/335730865.db2.gz OGLPPFXWQLOQPR-IBGZPJMESA-N 1 0 310.466 4.910 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000398961717 335812515 /nfs/dbraw/zinc/81/25/15/335812515.db2.gz NBZOSLHKJMYGJF-LBPRGKRZSA-N 1 0 319.235 4.910 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000520279873 335956854 /nfs/dbraw/zinc/95/68/54/335956854.db2.gz BLEOOOGRFCYFSG-UHFFFAOYSA-N 1 0 303.208 4.552 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000351026010 336005295 /nfs/dbraw/zinc/00/52/95/336005295.db2.gz IPWMTRBRKJRBJQ-HXUWFJFHSA-N 1 0 320.436 4.588 20 30 DJEDRO N#Cc1cc(F)ccc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000351103397 336014053 /nfs/dbraw/zinc/01/40/53/336014053.db2.gz RIBIXVZGOKGAED-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117269 336279443 /nfs/dbraw/zinc/27/94/43/336279443.db2.gz ORYMBIHQLOLIFT-KUHUBIRLSA-N 1 0 323.396 4.658 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000192933438 336285166 /nfs/dbraw/zinc/28/51/66/336285166.db2.gz OAYUZGXPBXBELM-UONOGXRCSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(OCC#N)cc1 ZINC000192936056 336285341 /nfs/dbraw/zinc/28/53/41/336285341.db2.gz RBCLSWACFCNCQS-ZIAGYGMSSA-N 1 0 314.816 4.654 20 30 DJEDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192980141 336286450 /nfs/dbraw/zinc/28/64/50/336286450.db2.gz WQKWGJCMFBGVDY-HZPDHXFCSA-N 1 0 308.425 4.563 20 30 DJEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000192991086 336286643 /nfs/dbraw/zinc/28/66/43/336286643.db2.gz QFTAPMDMRLKCSJ-HOTGVXAUSA-N 1 0 308.425 4.757 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000103345367 336376393 /nfs/dbraw/zinc/37/63/93/336376393.db2.gz KWYWPQQIXGZUCC-HNNXBMFYSA-N 1 0 310.466 4.910 20 30 DJEDRO COc1cc(C[NH2+][C@H](CC2CCC2)c2ccccc2)ccc1C#N ZINC000353623222 336429513 /nfs/dbraw/zinc/42/95/13/336429513.db2.gz OIJJEKNXYAFWMG-HXUWFJFHSA-N 1 0 320.436 4.588 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000353917173 336448118 /nfs/dbraw/zinc/44/81/18/336448118.db2.gz SOLSNNOGWYPOPX-OAQYLSRUSA-N 1 0 304.437 4.700 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)o1)C1CC1 ZINC000358024601 336607131 /nfs/dbraw/zinc/60/71/31/336607131.db2.gz RKHDTFJYUFNFCI-HNNXBMFYSA-N 1 0 302.443 4.546 20 30 DJEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000358332343 336624447 /nfs/dbraw/zinc/62/44/47/336624447.db2.gz VRXWYEDTAKFMBM-LZJOCLMNSA-N 1 0 322.452 4.822 20 30 DJEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000358332339 336624529 /nfs/dbraw/zinc/62/45/29/336624529.db2.gz VRXWYEDTAKFMBM-LLGFUMIMSA-N 1 0 322.452 4.822 20 30 DJEDRO C[C@@H]1[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000361895379 336777356 /nfs/dbraw/zinc/77/73/56/336777356.db2.gz WUNWHECDVMQFNB-LRGNLBRXSA-N 1 0 304.437 4.813 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000371798957 336913375 /nfs/dbraw/zinc/91/33/75/336913375.db2.gz HQJLMJJPSMZXQX-UHFFFAOYSA-N 1 0 324.390 4.871 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374694212 336995184 /nfs/dbraw/zinc/99/51/84/336995184.db2.gz OBCIOVSFVOHKPC-OAHLLOKOSA-N 1 0 302.377 4.669 20 30 DJEDRO C[C@H]([NH2+]Cc1cncs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374696666 336995242 /nfs/dbraw/zinc/99/52/42/336995242.db2.gz YMMSOAPHXHHMHZ-AWEZNQCLSA-N 1 0 319.433 4.533 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000375883127 337022043 /nfs/dbraw/zinc/02/20/43/337022043.db2.gz ARQHTFCTLUEXBD-UKRRQHHQSA-N 1 0 302.443 4.719 20 30 DJEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000582632727 337116453 /nfs/dbraw/zinc/11/64/53/337116453.db2.gz CRSUFVRZEOPEFP-NHCUHLMSSA-N 1 0 323.484 4.646 20 30 DJEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000582635708 337116609 /nfs/dbraw/zinc/11/66/09/337116609.db2.gz BTLAKVZHKPZQJO-HNNXBMFYSA-N 1 0 322.452 4.715 20 30 DJEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)ccc1C#N ZINC000582635711 337116625 /nfs/dbraw/zinc/11/66/25/337116625.db2.gz BTLAKVZHKPZQJO-OAHLLOKOSA-N 1 0 322.452 4.715 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(-c2c(F)cccc2F)cc1 ZINC000582754598 337134284 /nfs/dbraw/zinc/13/42/84/337134284.db2.gz VABQKCUURUCJHH-AWEZNQCLSA-N 1 0 314.379 4.976 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1OC ZINC000181575586 337183021 /nfs/dbraw/zinc/18/30/21/337183021.db2.gz AFOHHTTZPFFHJA-OALUTQOASA-N 1 0 308.425 4.781 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181577621 337183129 /nfs/dbraw/zinc/18/31/29/337183129.db2.gz PZAHHVJPGDACMJ-OALUTQOASA-N 1 0 323.396 4.681 20 30 DJEDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000583151231 337246586 /nfs/dbraw/zinc/24/65/86/337246586.db2.gz PUQVYUVWGIBJEJ-INIZCTEOSA-N 1 0 324.493 4.799 20 30 DJEDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)CCO1 ZINC000583243390 337285442 /nfs/dbraw/zinc/28/54/42/337285442.db2.gz UAQDELWMRCMJEH-AABGKKOBSA-N 1 0 314.473 4.583 20 30 DJEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000191682943 337300441 /nfs/dbraw/zinc/30/04/41/337300441.db2.gz BAEHIBLIRBVKLR-UHFFFAOYSA-N 1 0 320.436 4.536 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)CC2 ZINC000583722586 337318267 /nfs/dbraw/zinc/31/82/67/337318267.db2.gz FIZRSPFRLGUFQX-RTWAWAEBSA-N 1 0 320.411 4.816 20 30 DJEDRO CC(C)c1ccc(CC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000583825136 337337234 /nfs/dbraw/zinc/33/72/34/337337234.db2.gz DRGICLXIAVHARB-CTNGQTDRSA-N 1 0 310.485 4.757 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000571779833 337576519 /nfs/dbraw/zinc/57/65/19/337576519.db2.gz WEDKTXFHPRPTSZ-LJQANCHMSA-N 1 0 312.432 4.810 20 30 DJEDRO Cc1ccccc1C([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1C ZINC000572019276 337586892 /nfs/dbraw/zinc/58/68/92/337586892.db2.gz SFBMWNZWAQDNLN-QZTJIDSGSA-N 1 0 304.437 4.675 20 30 DJEDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421876317 337657915 /nfs/dbraw/zinc/65/79/15/337657915.db2.gz JRNHHOGJGANBJD-LLVKDONJSA-N 1 0 320.845 4.523 20 30 DJEDRO Cc1cc2cc([C@H](C)[NH2+]Cc3ccc(C#N)s3)oc2cc1C ZINC000421880981 337658568 /nfs/dbraw/zinc/65/85/68/337658568.db2.gz OPWIVBIKQJKUGK-ZDUSSCGKSA-N 1 0 310.422 4.834 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000424317325 337819925 /nfs/dbraw/zinc/81/99/25/337819925.db2.gz BWMOQNIWKODGMY-GDIGMMSISA-N 1 0 310.828 4.711 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000424327920 337821615 /nfs/dbraw/zinc/82/16/15/337821615.db2.gz NHSWYEIGSTUNIN-NKKGCODLSA-N 1 0 322.374 4.623 20 30 DJEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000090665676 337883936 /nfs/dbraw/zinc/88/39/36/337883936.db2.gz BCNOWEWRQQHDJX-MSOLQXFVSA-N 1 0 308.425 4.928 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000537294855 337928922 /nfs/dbraw/zinc/92/89/22/337928922.db2.gz GYZSTBAUJUJZFR-CZUORRHYSA-N 1 0 311.256 4.913 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(C#N)o1 ZINC000537297878 337929257 /nfs/dbraw/zinc/92/92/57/337929257.db2.gz GAVXUEOGSFZHCY-CYBMUJFWSA-N 1 0 323.223 4.569 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000537406610 337933687 /nfs/dbraw/zinc/93/36/87/337933687.db2.gz HKERUERHMAHUFM-BBATYDOGSA-N 1 0 318.342 4.777 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cc(F)ccc1F ZINC000537406585 337933696 /nfs/dbraw/zinc/93/36/96/337933696.db2.gz HKERUERHMAHUFM-ADLMAVQZSA-N 1 0 318.342 4.777 20 30 DJEDRO CC(C)(C#N)CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000537410719 337934027 /nfs/dbraw/zinc/93/40/27/337934027.db2.gz IOCWXPDPUJORCG-UHFFFAOYSA-N 1 0 324.390 4.825 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000514893430 337973494 /nfs/dbraw/zinc/97/34/94/337973494.db2.gz HNXDRDKDGLVHES-SFTDATJTSA-N 1 0 302.421 4.521 20 30 DJEDRO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000315469632 337987701 /nfs/dbraw/zinc/98/77/01/337987701.db2.gz OPJRTFROWDRMIE-LJSZUPLFSA-N 1 0 310.828 4.808 20 30 DJEDRO CCCCOc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000516120984 338005824 /nfs/dbraw/zinc/00/58/24/338005824.db2.gz XFYPMUKPQARDCD-NRFANRHFSA-N 1 0 320.436 4.514 20 30 DJEDRO CCSc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000426319768 338026772 /nfs/dbraw/zinc/02/67/72/338026772.db2.gz XYMJAKBTICTHHL-HXUWFJFHSA-N 1 0 322.477 4.837 20 30 DJEDRO CCSc1cccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000426348769 338028286 /nfs/dbraw/zinc/02/82/86/338028286.db2.gz BZOVUXNMWVJWBV-IBGZPJMESA-N 1 0 310.466 4.911 20 30 DJEDRO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000428326992 338047325 /nfs/dbraw/zinc/04/73/25/338047325.db2.gz RHJRWVYIVSNPHW-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO N#Cc1c(F)cccc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000428347022 338048238 /nfs/dbraw/zinc/04/82/38/338048238.db2.gz PDNVCMQADGGQQF-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO CC[N@H+](Cc1oc(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000428441134 338051601 /nfs/dbraw/zinc/05/16/01/338051601.db2.gz GVGJJNBKHNJQMV-OAHLLOKOSA-N 1 0 311.429 4.561 20 30 DJEDRO CC[N@H+](Cc1oc(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000428441131 338051636 /nfs/dbraw/zinc/05/16/36/338051636.db2.gz GVGJJNBKHNJQMV-HNNXBMFYSA-N 1 0 311.429 4.561 20 30 DJEDRO N#CCCCC[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428722893 338059593 /nfs/dbraw/zinc/05/95/93/338059593.db2.gz IJNAVAAXKYVTKK-UHFFFAOYSA-N 1 0 311.256 4.867 20 30 DJEDRO N#CCC1(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000430023925 338093768 /nfs/dbraw/zinc/09/37/68/338093768.db2.gz PRALVFJOIIWQCN-UHFFFAOYSA-N 1 0 308.450 4.621 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000430742290 338113105 /nfs/dbraw/zinc/11/31/05/338113105.db2.gz LOGVVTMYRXDZCP-VIFPVBQESA-N 1 0 317.647 4.991 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1OCc1ccccc1 ZINC000430750563 338113552 /nfs/dbraw/zinc/11/35/52/338113552.db2.gz BSOIZVTZGCQWHC-QGZVFWFLSA-N 1 0 320.436 4.610 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000430755178 338113789 /nfs/dbraw/zinc/11/37/89/338113789.db2.gz POVDREITTNVQQN-AWEZNQCLSA-N 1 0 306.862 4.550 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000430757250 338114055 /nfs/dbraw/zinc/11/40/55/338114055.db2.gz VJBKDRZYBFHHGJ-KRWDZBQOSA-N 1 0 320.436 4.610 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000430761145 338114078 /nfs/dbraw/zinc/11/40/78/338114078.db2.gz KZRDYFIDKIVSSY-JTQLQIEISA-N 1 0 315.269 4.716 20 30 DJEDRO Cc1ccc(C)c(OCC[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433027359 338177016 /nfs/dbraw/zinc/17/70/16/338177016.db2.gz KIXYHJRSKVNHFR-HXUWFJFHSA-N 1 0 322.452 4.707 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccccc1 ZINC000433032743 338177531 /nfs/dbraw/zinc/17/75/31/338177531.db2.gz BYOQCKWMQACETL-FQEVSTJZSA-N 1 0 322.456 4.523 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000435664743 338244628 /nfs/dbraw/zinc/24/46/28/338244628.db2.gz NQWFEYZRYISYAX-WQGACYEGSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000436287993 338266270 /nfs/dbraw/zinc/26/62/70/338266270.db2.gz UMIZABMYCQILSN-OZVIIMIRSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000436291951 338266588 /nfs/dbraw/zinc/26/65/88/338266588.db2.gz AZVOCOXFQGMYDW-BREBYQMCSA-N 1 0 320.285 4.687 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000436299663 338267411 /nfs/dbraw/zinc/26/74/11/338267411.db2.gz GXFAXILRAJUTQL-QIJZBDPFSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000436300591 338267489 /nfs/dbraw/zinc/26/74/89/338267489.db2.gz JYLNKOYRHOYGEK-YEWWUXTCSA-N 1 0 301.455 4.533 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)c(Cl)c1 ZINC000439429969 338369053 /nfs/dbraw/zinc/36/90/53/338369053.db2.gz JVCIYVKIUVVZNL-MRXNPFEDSA-N 1 0 302.830 4.514 20 30 DJEDRO C[C@H](c1ccco1)N(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439439182 338369364 /nfs/dbraw/zinc/36/93/64/338369364.db2.gz FAPYWDDFKSHNRM-GFCCVEGCSA-N 1 0 300.789 4.530 20 30 DJEDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439463074 338370392 /nfs/dbraw/zinc/37/03/92/338370392.db2.gz AOVIKRZVCMXUPH-GFCCVEGCSA-N 1 0 316.857 4.784 20 30 DJEDRO COc1cc(C[NH2+]C2(c3ccccc3)CCCCC2)ccc1C#N ZINC000440823814 338398274 /nfs/dbraw/zinc/39/82/74/338398274.db2.gz GITLOZOZALLOST-UHFFFAOYSA-N 1 0 320.436 4.516 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000161988385 338410962 /nfs/dbraw/zinc/41/09/62/338410962.db2.gz HBAJIDKJDOAQBJ-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)C1 ZINC000442836299 338433990 /nfs/dbraw/zinc/43/39/90/338433990.db2.gz ZRFRRKGXLGFFME-XWIAVFTESA-N 1 0 302.849 4.853 20 30 DJEDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C#N)C2)sc2ccc(Cl)cc12 ZINC000442854313 338434909 /nfs/dbraw/zinc/43/49/09/338434909.db2.gz KSHHAAKIGUEAKI-YPMHNXCESA-N 1 0 304.846 4.645 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3F)CCCC2)C1 ZINC000442860057 338435497 /nfs/dbraw/zinc/43/54/97/338435497.db2.gz RNEOMSTZOPMDAS-KBPBESRZSA-N 1 0 320.839 4.573 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000442867374 338436242 /nfs/dbraw/zinc/43/62/42/338436242.db2.gz LCSWQDBCIJCCLJ-ALLBUHFWSA-N 1 0 314.448 4.977 20 30 DJEDRO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000442867227 338436280 /nfs/dbraw/zinc/43/62/80/338436280.db2.gz KVIFFIRLMYYFLL-WTNGLUPJSA-N 1 0 306.400 4.581 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000442868574 338436396 /nfs/dbraw/zinc/43/63/96/338436396.db2.gz OBSJNQFCXDIDRY-GTPINHCMSA-N 1 0 314.473 4.844 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000442868575 338436426 /nfs/dbraw/zinc/43/64/26/338436426.db2.gz OBSJNQFCXDIDRY-KLAILNCOSA-N 1 0 314.473 4.844 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1c(Cl)cccc1Cl ZINC000442874789 338437105 /nfs/dbraw/zinc/43/71/05/338437105.db2.gz NVMBTINLGAVIEM-RYUDHWBXSA-N 1 0 311.256 4.553 20 30 DJEDRO CC[C@H]([NH2+]CCCc1c[nH]c2ccccc12)c1ccc(C#N)cc1 ZINC000447525643 338553932 /nfs/dbraw/zinc/55/39/32/338553932.db2.gz APAWPEZBMFKKPI-FQEVSTJZSA-N 1 0 317.436 4.713 20 30 DJEDRO CC[C@H]([NH2+]Cc1cc(F)ccc1SC)c1ccc(C#N)cc1 ZINC000447528869 338554244 /nfs/dbraw/zinc/55/42/44/338554244.db2.gz KLSZENXMKHTFCR-KRWDZBQOSA-N 1 0 314.429 4.660 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 ZINC000447531117 338554577 /nfs/dbraw/zinc/55/45/77/338554577.db2.gz OMYADUONUYWQNN-QGZVFWFLSA-N 1 0 302.780 4.592 20 30 DJEDRO CC[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000447537480 338555131 /nfs/dbraw/zinc/55/51/31/338555131.db2.gz WFJKENGFSMJENV-HNNXBMFYSA-N 1 0 304.846 4.557 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)CCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447541328 338555483 /nfs/dbraw/zinc/55/54/83/338555483.db2.gz LYSBUEVWWLAFFC-IERDGZPVSA-N 1 0 322.452 4.629 20 30 DJEDRO CC1(C#N)CCC(Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000449040116 338586748 /nfs/dbraw/zinc/58/67/48/338586748.db2.gz GLYJZMFZVAYRCW-UHFFFAOYSA-N 1 0 311.473 4.557 20 30 DJEDRO CCSc1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449124830 338595459 /nfs/dbraw/zinc/59/54/59/338595459.db2.gz HNZJJHAQVBGFCT-NXVRBGIVSA-N 1 0 302.487 4.922 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000449126178 338595589 /nfs/dbraw/zinc/59/55/89/338595589.db2.gz LJBBNLAOWMQQLY-XBMUEBEBSA-N 1 0 300.421 4.729 20 30 DJEDRO CC[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Oc1ccccc1Cl ZINC000449191247 338600977 /nfs/dbraw/zinc/60/09/77/338600977.db2.gz WXPOFVXPQHRDSF-SWKXRBFHSA-N 1 0 320.864 4.559 20 30 DJEDRO Cc1cc([C@@H]([NH2+]C2CCC(C)(C#N)CC2)C2CC2)ccc1F ZINC000449215833 338603046 /nfs/dbraw/zinc/60/30/46/338603046.db2.gz ORZDXPJMRONNRS-AVAKVYKDSA-N 1 0 300.421 4.647 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449299367 338610788 /nfs/dbraw/zinc/61/07/88/338610788.db2.gz LYZLKVGPOYSTIV-QGZVFWFLSA-N 1 0 300.833 4.559 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449446077 338624642 /nfs/dbraw/zinc/62/46/42/338624642.db2.gz NZDHNOWDTRNVOW-IKICRFKJSA-N 1 0 302.849 4.648 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449446660 338624921 /nfs/dbraw/zinc/62/49/21/338624921.db2.gz SPWNISCETIWJDR-OGWHTMIXSA-N 1 0 316.876 4.723 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1F ZINC000453295924 338820252 /nfs/dbraw/zinc/82/02/52/338820252.db2.gz SKEZEWQWXACWTP-RVSPLBMKSA-N 1 0 308.828 4.848 20 30 DJEDRO N#CCSCCC[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459750472 339046215 /nfs/dbraw/zinc/04/62/15/339046215.db2.gz PTSBBWLWMKOPJF-SFHVURJKSA-N 1 0 314.498 4.641 20 30 DJEDRO CC[C@@H](CC#N)[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065294 339071752 /nfs/dbraw/zinc/07/17/52/339071752.db2.gz MBCKJBWKJROXGZ-LEWJYISDSA-N 1 0 306.453 4.512 20 30 DJEDRO C=CCC[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462233978 339074735 /nfs/dbraw/zinc/07/47/35/339074735.db2.gz FFRQZOYXBNFRCO-GOSISDBHSA-N 1 0 301.817 4.604 20 30 DJEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)Sc2ccccc2)c1 ZINC000462743884 339086486 /nfs/dbraw/zinc/08/64/86/339086486.db2.gz UONXQIRFNBOEPW-INIZCTEOSA-N 1 0 313.466 4.522 20 30 DJEDRO C=CCSCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462799639 339089496 /nfs/dbraw/zinc/08/94/96/339089496.db2.gz VPSREKQUBMMLBH-LBPRGKRZSA-N 1 0 322.474 4.519 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000462843339 339093835 /nfs/dbraw/zinc/09/38/35/339093835.db2.gz TVYGEZSKVWURIH-CKJXQJPGSA-N 1 0 304.437 4.923 20 30 DJEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000462904054 339097071 /nfs/dbraw/zinc/09/70/71/339097071.db2.gz GTXFEDWELNBYCE-KRWDZBQOSA-N 1 0 316.404 4.915 20 30 DJEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000463208751 339109568 /nfs/dbraw/zinc/10/95/68/339109568.db2.gz GQKIDMLRNMYCDN-UHFFFAOYSA-N 1 0 320.358 4.679 20 30 DJEDRO C[C@H](c1ccccc1)[N@H+](CCCSCC#N)Cc1ccccc1 ZINC000463230316 339110559 /nfs/dbraw/zinc/11/05/59/339110559.db2.gz HFBFKXABJCNWTM-GOSISDBHSA-N 1 0 324.493 4.897 20 30 DJEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463233795 339110716 /nfs/dbraw/zinc/11/07/16/339110716.db2.gz FEFQJFAEWCDFFQ-JHJVBQTASA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000463237130 339111040 /nfs/dbraw/zinc/11/10/40/339111040.db2.gz KFKBCVWRKZWVNS-DBXWQHBBSA-N 1 0 322.427 4.781 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000463241819 339111357 /nfs/dbraw/zinc/11/13/57/339111357.db2.gz DLTNAFXYVNGIKF-CBBWQLFWSA-N 1 0 324.390 4.869 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1cccc(Cl)c1 ZINC000463244313 339111578 /nfs/dbraw/zinc/11/15/78/339111578.db2.gz GTYHQBPCNAERSH-RDJZCZTQSA-N 1 0 304.865 4.581 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463280969 339113178 /nfs/dbraw/zinc/11/31/78/339113178.db2.gz FMJKCHHBMWQCPM-BBRMVZONSA-N 1 0 324.390 4.655 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(Sc3ccccc3)CCCC2)C1 ZINC000463290529 339113635 /nfs/dbraw/zinc/11/36/35/339113635.db2.gz KGGVUOJSPNEKDU-IRXDYDNUSA-N 1 0 314.498 4.763 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463295950 339113912 /nfs/dbraw/zinc/11/39/12/339113912.db2.gz QOUDDLUGVCGKIY-HMXCVIKNSA-N 1 0 304.437 4.642 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccc2)cc1 ZINC000463297326 339113942 /nfs/dbraw/zinc/11/39/42/339113942.db2.gz KPPGTWVVZGTAAL-JRGCBEDISA-N 1 0 304.437 4.756 20 30 DJEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000467376101 339235330 /nfs/dbraw/zinc/23/53/30/339235330.db2.gz IMTHBTBDXAVZHP-DBVUQKKJSA-N 1 0 319.452 4.639 20 30 DJEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000467448058 339239247 /nfs/dbraw/zinc/23/92/47/339239247.db2.gz CLYWIRZBQYGNLT-HUUCEWRRSA-N 1 0 312.844 4.536 20 30 DJEDRO C[C@H](c1cc2ccccc2o1)N(C)Cc1cc(F)ccc1C#N ZINC000468886800 339273680 /nfs/dbraw/zinc/27/36/80/339273680.db2.gz HNXMDRRMXKIKBO-CYBMUJFWSA-N 1 0 308.356 4.637 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469463169 339290396 /nfs/dbraw/zinc/29/03/96/339290396.db2.gz RMDCGPYZCQSGTN-UHFFFAOYSA-N 1 0 320.427 4.549 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000470726479 339326351 /nfs/dbraw/zinc/32/63/51/339326351.db2.gz NFHGAPFPIFEQSD-UHFFFAOYSA-N 1 0 314.379 4.906 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000471582156 339348086 /nfs/dbraw/zinc/34/80/86/339348086.db2.gz SZEQHXZEXGEODL-WQVCFCJDSA-N 1 0 310.363 4.684 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583830 339348104 /nfs/dbraw/zinc/34/81/04/339348104.db2.gz BWMOQNIWKODGMY-CCKFTAQKSA-N 1 0 310.828 4.711 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000471599585 339348922 /nfs/dbraw/zinc/34/89/22/339348922.db2.gz ULUJTWZEYSNJHQ-GIVPXCGWSA-N 1 0 304.437 4.642 20 30 DJEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471599458 339348948 /nfs/dbraw/zinc/34/89/48/339348948.db2.gz SJDVKEZYCUEKHL-QRTARXTBSA-N 1 0 320.864 4.718 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000471599586 339348951 /nfs/dbraw/zinc/34/89/51/339348951.db2.gz ULUJTWZEYSNJHQ-HLAWJBBLSA-N 1 0 304.437 4.642 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606611 339349200 /nfs/dbraw/zinc/34/92/00/339349200.db2.gz OIPQYUNDIBSKGX-AHRSYUTCSA-N 1 0 324.855 4.906 20 30 DJEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471619020 339349751 /nfs/dbraw/zinc/34/97/51/339349751.db2.gz MCBWLPQGMDTXEM-KCXAZCMYSA-N 1 0 310.363 4.828 20 30 DJEDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3ccc(C#N)cc3)cc2c1C ZINC000472047538 339360648 /nfs/dbraw/zinc/36/06/48/339360648.db2.gz KTNWMADBODGTCG-OAHLLOKOSA-N 1 0 303.409 4.507 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000472231419 339366759 /nfs/dbraw/zinc/36/67/59/339366759.db2.gz JKAHKGCMVXTKIV-OAQYLSRUSA-N 1 0 318.464 4.964 20 30 DJEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1ccccc1Br ZINC000472430782 339371615 /nfs/dbraw/zinc/37/16/15/339371615.db2.gz JLJQVUDBONAVBT-UHFFFAOYSA-N 1 0 323.278 4.601 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000472434657 339371664 /nfs/dbraw/zinc/37/16/64/339371664.db2.gz WIUYFDMEOMIDEN-INIZCTEOSA-N 1 0 304.865 4.677 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000472428190 339371711 /nfs/dbraw/zinc/37/17/11/339371711.db2.gz FUMBWYXQCWUMFF-AWEZNQCLSA-N 1 0 322.855 4.816 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475512292 339453512 /nfs/dbraw/zinc/45/35/12/339453512.db2.gz YKVWWMRPBBEODR-JSGCOSHPSA-N 1 0 311.267 4.630 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OCC)cc1)c1ccc(F)c(F)c1 ZINC000479411920 339533783 /nfs/dbraw/zinc/53/37/83/339533783.db2.gz RSVIKTFIRLTOFU-LJQANCHMSA-N 1 0 317.379 4.771 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000479534420 339539796 /nfs/dbraw/zinc/53/97/96/339539796.db2.gz WPINGXZTQXGSGC-ADLFWFRXSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(C#N)cc1 ZINC000479534423 339539853 /nfs/dbraw/zinc/53/98/53/339539853.db2.gz WPINGXZTQXGSGC-QMIHWGKISA-N 1 0 308.400 4.684 20 30 DJEDRO CCC1(Cc2ccccc2)CC[NH+]([C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000479555160 339540930 /nfs/dbraw/zinc/54/09/30/339540930.db2.gz SGZVSFFUJDBMBJ-UXHICEINSA-N 1 0 310.485 4.804 20 30 DJEDRO CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000480670974 339582586 /nfs/dbraw/zinc/58/25/86/339582586.db2.gz ZNUQHTGEPJQCOI-IIBYNOLFSA-N 1 0 323.484 4.897 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)c1 ZINC000480811136 339587978 /nfs/dbraw/zinc/58/79/78/339587978.db2.gz HAXGXWBUIDNXKK-GOSISDBHSA-N 1 0 318.445 4.940 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000481720801 339611078 /nfs/dbraw/zinc/61/10/78/339611078.db2.gz UMPGVQPUOHIRER-BMGDILEWSA-N 1 0 308.400 4.684 20 30 DJEDRO Cc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccc1F ZINC000481911476 339616387 /nfs/dbraw/zinc/61/63/87/339616387.db2.gz GCRAISSVXLTEDK-FQEVSTJZSA-N 1 0 308.400 4.563 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1(c2ccccc2)CC1 ZINC000481998994 339619199 /nfs/dbraw/zinc/61/91/99/339619199.db2.gz FJMWDGCSEOAQHH-FQEVSTJZSA-N 1 0 302.421 4.605 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 ZINC000483708819 339672119 /nfs/dbraw/zinc/67/21/19/339672119.db2.gz CKRYJOBUEDDRLL-ZDUSSCGKSA-N 1 0 308.809 4.653 20 30 DJEDRO N#Cc1ccc(NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000489183260 339803159 /nfs/dbraw/zinc/80/31/59/339803159.db2.gz HPQUFFDJDOAVFX-UHFFFAOYSA-N 1 0 319.452 4.546 20 30 DJEDRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000495016796 339970292 /nfs/dbraw/zinc/97/02/92/339970292.db2.gz KJPKXYARHGSBBJ-JSGCOSHPSA-N 1 0 310.363 4.564 20 30 DJEDRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)c(F)c1 ZINC000495029552 339970720 /nfs/dbraw/zinc/97/07/20/339970720.db2.gz NZTHTYWRYQEIRT-QWHCGFSZSA-N 1 0 310.363 4.564 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2ccccc2)CC1 ZINC000499971337 340047907 /nfs/dbraw/zinc/04/79/07/340047907.db2.gz WWRFVDPAKZSINQ-UHFFFAOYSA-N 1 0 318.464 4.613 20 30 DJEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000500242660 340053855 /nfs/dbraw/zinc/05/38/55/340053855.db2.gz AOVIKRZVCMXUPH-LBPRGKRZSA-N 1 0 316.857 4.784 20 30 DJEDRO C[C@H](c1ccccc1F)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531605 340107103 /nfs/dbraw/zinc/10/71/03/340107103.db2.gz QFOZPHJHAMLJRT-OAHLLOKOSA-N 1 0 306.384 4.548 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000502561167 340107934 /nfs/dbraw/zinc/10/79/34/340107934.db2.gz BLABVGJIWLNGEC-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO Cc1cc(N2CCC(C)(C#N)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000503295756 340124954 /nfs/dbraw/zinc/12/49/54/340124954.db2.gz LLEIOYFARVILCO-UHFFFAOYSA-N 1 0 313.832 4.635 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000506029434 340183741 /nfs/dbraw/zinc/18/37/41/340183741.db2.gz BYJVTBQHDXTQFW-UHFFFAOYSA-N 1 0 306.409 4.605 20 30 DJEDRO C=CCOc1ccc(C[N@@H+](Cc2cncs2)C(C)(C)C)cc1 ZINC000506045820 340184237 /nfs/dbraw/zinc/18/42/37/340184237.db2.gz LLJDCCXAXXOIJH-UHFFFAOYSA-N 1 0 316.470 4.509 20 30 DJEDRO CC(C)[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000507147810 340209629 /nfs/dbraw/zinc/20/96/29/340209629.db2.gz YSNYISNOUWAMCH-UHFFFAOYSA-N 1 0 304.846 4.684 20 30 DJEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507205359 340213198 /nfs/dbraw/zinc/21/31/98/340213198.db2.gz VZBONPUHWRESOA-ZDUSSCGKSA-N 1 0 318.342 4.770 20 30 DJEDRO C[N@H+](CCc1cccc2ccccc21)Cc1cc(C#N)ccc1F ZINC000507308083 340216861 /nfs/dbraw/zinc/21/68/61/340216861.db2.gz WRUIXQUQYSSPPA-UHFFFAOYSA-N 1 0 318.395 4.525 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000507651441 340227281 /nfs/dbraw/zinc/22/72/81/340227281.db2.gz SONVMEIJWSUELH-NJEKYYFSSA-N 1 0 316.448 4.668 20 30 DJEDRO CC[N@H+](Cc1cnc(C(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508662698 340250015 /nfs/dbraw/zinc/25/00/15/340250015.db2.gz DLPSFJFNKONQGS-AWEZNQCLSA-N 1 0 313.470 4.721 20 30 DJEDRO C=C(C)CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000508992019 340257292 /nfs/dbraw/zinc/25/72/92/340257292.db2.gz UBGZMEALHZWIPE-SFHVURJKSA-N 1 0 300.833 4.575 20 30 DJEDRO C=C(C)CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000508992015 340257296 /nfs/dbraw/zinc/25/72/96/340257296.db2.gz UBGZMEALHZWIPE-GOSISDBHSA-N 1 0 300.833 4.575 20 30 DJEDRO CC(C)(C#N)CCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509440910 340269567 /nfs/dbraw/zinc/26/95/67/340269567.db2.gz ZQXJGAGTJBZSME-UHFFFAOYSA-N 1 0 302.849 4.759 20 30 DJEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000510258552 340294302 /nfs/dbraw/zinc/29/43/02/340294302.db2.gz ZQNDRJAHKIUZQO-WMZOPIPTSA-N 1 0 314.473 4.798 20 30 DJEDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc(F)cc1C#N ZINC000303191056 340311557 /nfs/dbraw/zinc/31/15/57/340311557.db2.gz MCGBCKXNWGQCSN-UHFFFAOYSA-N 1 0 318.395 4.525 20 30 DJEDRO Cc1cccc([C@@H]([NH2+]CC2(CC#N)CC2)c2cccc(F)c2)c1 ZINC000510992196 340317437 /nfs/dbraw/zinc/31/74/37/340317437.db2.gz LYGQCGFUCKFSNL-LJQANCHMSA-N 1 0 308.400 4.507 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511071753 340319941 /nfs/dbraw/zinc/31/99/41/340319941.db2.gz BSQQXVFEQZEHDH-SFHVURJKSA-N 1 0 320.427 4.878 20 30 DJEDRO N#CCCCC[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511138563 340322126 /nfs/dbraw/zinc/32/21/26/340322126.db2.gz NXEINMDWXCZQSN-HNNXBMFYSA-N 1 0 310.363 4.579 20 30 DJEDRO N#CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000511842186 340339866 /nfs/dbraw/zinc/33/98/66/340339866.db2.gz GEIAUVWGQZFKDU-BDTNDASRSA-N 1 0 316.448 4.521 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1F ZINC000512288087 340355632 /nfs/dbraw/zinc/35/56/32/340355632.db2.gz MAGGRAKZJIIZIV-CKNLXJGOSA-N 1 0 308.400 4.672 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512625595 340369655 /nfs/dbraw/zinc/36/96/55/340369655.db2.gz OZUDLVPDNCTRCI-VXGBXAGGSA-N 1 0 302.780 4.763 20 30 DJEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1c(F)cccc1Cl ZINC000512628702 340369922 /nfs/dbraw/zinc/36/99/22/340369922.db2.gz GGBXNRFHBWYIJZ-WDEREUQCSA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512642673 340370559 /nfs/dbraw/zinc/37/05/59/340370559.db2.gz RNRJLUDXXNNGQV-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652298 340371118 /nfs/dbraw/zinc/37/11/18/340371118.db2.gz LKIPLUJXLMAFKF-BFUOFWGJSA-N 1 0 317.379 4.508 20 30 DJEDRO Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)cc2c1C ZINC000512654434 340371305 /nfs/dbraw/zinc/37/13/05/340371305.db2.gz MGHXEKQFCSJXSM-AWEZNQCLSA-N 1 0 321.399 4.646 20 30 DJEDRO COc1ccc(C[N@H+](CCCC(C)(C)C#N)[C@H](C)C2CC2)cc1 ZINC000174832394 340396990 /nfs/dbraw/zinc/39/69/90/340396990.db2.gz ZOSRGBUFHITWNA-MRXNPFEDSA-N 1 0 314.473 4.626 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000404755738 340413959 /nfs/dbraw/zinc/41/39/59/340413959.db2.gz KZNXEBCPAGFVHC-CQSZACIVSA-N 1 0 310.416 4.846 20 30 DJEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000513648276 340417030 /nfs/dbraw/zinc/41/70/30/340417030.db2.gz QJKIESAIHJVRLY-ZIAGYGMSSA-N 1 0 314.379 4.508 20 30 DJEDRO N#CCC[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000183750605 340489025 /nfs/dbraw/zinc/48/90/25/340489025.db2.gz UMBOEWGTTSTNPK-BDVYOWHSSA-N 1 0 324.390 4.990 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1cccc(COC)c1)c1ccc(F)c(F)c1 ZINC000187374290 340519447 /nfs/dbraw/zinc/51/94/47/340519447.db2.gz JVFDJRKIYRABON-IBGZPJMESA-N 1 0 317.379 4.518 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(F)c(F)c1 ZINC000187375444 340519522 /nfs/dbraw/zinc/51/95/22/340519522.db2.gz ZFIPVXNOCKLDKX-LJQANCHMSA-N 1 0 324.374 4.920 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 ZINC000521694916 340529084 /nfs/dbraw/zinc/52/90/84/340529084.db2.gz ASBKZONFAMWYQY-WOJBJXKFSA-N 1 0 324.374 4.731 20 30 DJEDRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000523732659 340636661 /nfs/dbraw/zinc/63/66/61/340636661.db2.gz QGRWWUFWMIBOPZ-ROUUACIJSA-N 1 0 314.473 4.675 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000523935672 340644369 /nfs/dbraw/zinc/64/43/69/340644369.db2.gz BRXFPJKASSPPAL-YWZLYKJASA-N 1 0 318.420 4.646 20 30 DJEDRO C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)c1ccc(C#N)cc1 ZINC000316903052 340698502 /nfs/dbraw/zinc/69/85/02/340698502.db2.gz KCYIPKSZADWLHP-GFCCVEGCSA-N 1 0 310.784 4.809 20 30 DJEDRO Cc1cc(C#N)ccc1C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528601981 340725793 /nfs/dbraw/zinc/72/57/93/340725793.db2.gz JYBNPKNNIPPMFS-UHFFFAOYSA-N 1 0 321.449 4.501 20 30 DJEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000537975565 340794919 /nfs/dbraw/zinc/79/49/19/340794919.db2.gz UJXPTZQTLIIFJR-HZPDHXFCSA-N 1 0 321.892 4.579 20 30 DJEDRO Cc1cccc([C@H]([NH2+]Cc2cccc(C#N)c2F)C(C)(C)C)c1 ZINC000538237664 340814520 /nfs/dbraw/zinc/81/45/20/340814520.db2.gz BWYXCHRUZUZTFE-IBGZPJMESA-N 1 0 310.416 4.883 20 30 DJEDRO N#Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000539311141 340880510 /nfs/dbraw/zinc/88/05/10/340880510.db2.gz DZCBFMAXGYEXOT-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO N#Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000539311140 340880533 /nfs/dbraw/zinc/88/05/33/340880533.db2.gz DZCBFMAXGYEXOT-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(C#N)c(F)c1 ZINC000539652867 340894384 /nfs/dbraw/zinc/89/43/84/340894384.db2.gz GCFKTYGEVKPCKX-GFCCVEGCSA-N 1 0 314.791 4.691 20 30 DJEDRO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(C#N)c(F)c1 ZINC000539652868 340894459 /nfs/dbraw/zinc/89/44/59/340894459.db2.gz GCFKTYGEVKPCKX-LBPRGKRZSA-N 1 0 314.791 4.691 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000540169601 340919995 /nfs/dbraw/zinc/91/99/95/340919995.db2.gz FKVGSKVAADBNIL-WFASDCNBSA-N 1 0 316.445 4.881 20 30 DJEDRO C=C(CC)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000540202767 340923179 /nfs/dbraw/zinc/92/31/79/340923179.db2.gz KUFJIEMMFHEXSW-UHFFFAOYSA-N 1 0 304.821 4.627 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000540410546 340930097 /nfs/dbraw/zinc/93/00/97/340930097.db2.gz PPZMJZXLMQHOMH-GOSISDBHSA-N 1 0 302.437 4.977 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000540410547 340930147 /nfs/dbraw/zinc/93/01/47/340930147.db2.gz PPZMJZXLMQHOMH-SFHVURJKSA-N 1 0 302.437 4.977 20 30 DJEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000540594896 340937344 /nfs/dbraw/zinc/93/73/44/340937344.db2.gz HKYQFDKAKSFHIH-CQSZACIVSA-N 1 0 310.828 4.594 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000540605128 340938218 /nfs/dbraw/zinc/93/82/18/340938218.db2.gz CNGXVXHQAVKFNA-STQMWFEESA-N 1 0 318.342 4.989 20 30 DJEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000541221015 340962630 /nfs/dbraw/zinc/96/26/30/340962630.db2.gz JEELMPHKVCOTTC-HUUCEWRRSA-N 1 0 310.466 4.562 20 30 DJEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210453 341000439 /nfs/dbraw/zinc/00/04/39/341000439.db2.gz SIXMORGJTPMURI-FOIQADDNSA-N 1 0 320.436 4.634 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000542556660 341013424 /nfs/dbraw/zinc/01/34/24/341013424.db2.gz UJHKVOKRDPMTDM-INIZCTEOSA-N 1 0 314.454 4.505 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000542845850 341023122 /nfs/dbraw/zinc/02/31/22/341023122.db2.gz BXKKCTKBILLWTN-RISCZKNCSA-N 1 0 303.393 4.664 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000542845849 341023162 /nfs/dbraw/zinc/02/31/62/341023162.db2.gz BXKKCTKBILLWTN-FZMZJTMJSA-N 1 0 303.393 4.664 20 30 DJEDRO CC(C)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccs1 ZINC000543485980 341046971 /nfs/dbraw/zinc/04/69/71/341046971.db2.gz PMZBQNOHZQLKBD-INIZCTEOSA-N 1 0 302.418 4.636 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)c1ccc(C#N)cc1 ZINC000543602136 341050678 /nfs/dbraw/zinc/05/06/78/341050678.db2.gz GRCFCZKRSJWTIA-DJJJIMSYSA-N 1 0 310.828 4.940 20 30 DJEDRO Cc1ccccc1-c1cccc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000543780812 341058475 /nfs/dbraw/zinc/05/84/75/341058475.db2.gz OZCHGNHXGZWAKM-UHFFFAOYSA-N 1 0 304.437 4.788 20 30 DJEDRO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CCCC#N)c1 ZINC000544125422 341071213 /nfs/dbraw/zinc/07/12/13/341071213.db2.gz IEMWAMNBPICOQB-SFTDATJTSA-N 1 0 320.436 4.530 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)s1 ZINC000544450131 341082614 /nfs/dbraw/zinc/08/26/14/341082614.db2.gz WISOSSCLONIGOC-GFCCVEGCSA-N 1 0 308.809 4.653 20 30 DJEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000545465130 341126361 /nfs/dbraw/zinc/12/63/61/341126361.db2.gz MXTZKLGREDTNKV-GOSISDBHSA-N 1 0 322.452 4.837 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2n1 ZINC000074354063 341144559 /nfs/dbraw/zinc/14/45/59/341144559.db2.gz PHXDBCFAWXKKEZ-UHFFFAOYSA-N 1 0 315.420 4.517 20 30 DJEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000546581299 341173473 /nfs/dbraw/zinc/17/34/73/341173473.db2.gz NZWOWLZEEUVGFA-CQSZACIVSA-N 1 0 304.846 4.850 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000546632852 341176261 /nfs/dbraw/zinc/17/62/61/341176261.db2.gz GCFWSURYUBVHQQ-XEBKBJJBSA-N 1 0 310.363 4.578 20 30 DJEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000546685936 341178694 /nfs/dbraw/zinc/17/86/94/341178694.db2.gz FOXASCBITSQWRK-QWHCGFSZSA-N 1 0 321.873 4.656 20 30 DJEDRO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000075755709 341181989 /nfs/dbraw/zinc/18/19/89/341181989.db2.gz JZFXQMKBVBQFQW-HNNXBMFYSA-N 1 0 316.404 4.571 20 30 DJEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)c1c(Cl)cccc1Cl ZINC000236733791 341197291 /nfs/dbraw/zinc/19/72/91/341197291.db2.gz KRLMIBJXFQFVHL-UHFFFAOYSA-N 1 0 323.223 4.525 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc2cc(Cl)ccc2o1 ZINC000076760707 341213744 /nfs/dbraw/zinc/21/37/44/341213744.db2.gz UCYKUGMPHPJTDS-LBPRGKRZSA-N 1 0 310.784 4.809 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000237878800 341222440 /nfs/dbraw/zinc/22/24/40/341222440.db2.gz QZCIOUSDAVCSGJ-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1Cl ZINC000135101622 341230909 /nfs/dbraw/zinc/23/09/09/341230909.db2.gz RNCXAVPKWKLMET-AWEZNQCLSA-N 1 0 312.844 4.992 20 30 DJEDRO C[C@@H](c1ccco1)[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000135282664 341235370 /nfs/dbraw/zinc/23/53/70/341235370.db2.gz WVQWSSDTLLDPTB-HNNXBMFYSA-N 1 0 308.425 4.806 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)s1 ZINC000135673861 341243818 /nfs/dbraw/zinc/24/38/18/341243818.db2.gz LWHDWZFCQRNTEK-AWEZNQCLSA-N 1 0 320.870 4.600 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000136221645 341255100 /nfs/dbraw/zinc/25/51/00/341255100.db2.gz JVAFCZFVGYXSKL-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927611 341307070 /nfs/dbraw/zinc/30/70/70/341307070.db2.gz BRDDCENVGXIKMV-ZOBUZTSGSA-N 1 0 324.399 4.961 20 30 DJEDRO CCC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000550030844 341308969 /nfs/dbraw/zinc/30/89/69/341308969.db2.gz DJCBTLKHVMYNJP-UHFFFAOYSA-N 1 0 304.846 4.685 20 30 DJEDRO C[C@H](F)CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000550271378 341314052 /nfs/dbraw/zinc/31/40/52/341314052.db2.gz MOBQGQWJQCPCAT-QMMMGPOBSA-N 1 0 317.248 4.562 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000550857019 341324693 /nfs/dbraw/zinc/32/46/93/341324693.db2.gz MFCNAQOSICFWPJ-SFHVURJKSA-N 1 0 316.395 4.641 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000550857086 341324714 /nfs/dbraw/zinc/32/47/14/341324714.db2.gz NKENJXYKAHWCMJ-AWEZNQCLSA-N 1 0 324.346 4.533 20 30 DJEDRO C[C@@H]([NH2+]CCc1cc2ccccc2s1)c1cccc(C#N)c1 ZINC000550883431 341325417 /nfs/dbraw/zinc/32/54/17/341325417.db2.gz ZMALWVNWIKLBAG-CQSZACIVSA-N 1 0 306.434 4.666 20 30 DJEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC000551573175 341345995 /nfs/dbraw/zinc/34/59/95/341345995.db2.gz MWABJRDKDIPCDP-SFHVURJKSA-N 1 0 312.363 4.566 20 30 DJEDRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)c1ccc(C#N)cc1 ZINC000551813249 341352768 /nfs/dbraw/zinc/35/27/68/341352768.db2.gz FAEUJMYWSZVLNV-AWEZNQCLSA-N 1 0 310.828 4.942 20 30 DJEDRO CCCOc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551816531 341352790 /nfs/dbraw/zinc/35/27/90/341352790.db2.gz AELINUYDRIOGFJ-MRXNPFEDSA-N 1 0 320.436 4.687 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccco1 ZINC000552045846 341364709 /nfs/dbraw/zinc/36/47/09/341364709.db2.gz QXZHZFUMXAEDBA-LJQANCHMSA-N 1 0 306.409 4.667 20 30 DJEDRO C=CCC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccco1 ZINC000552047041 341364893 /nfs/dbraw/zinc/36/48/93/341364893.db2.gz YKZRVFNKZPTRDK-LJQANCHMSA-N 1 0 310.441 4.546 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccco1 ZINC000552068308 341367156 /nfs/dbraw/zinc/36/71/56/341367156.db2.gz QUZMPRYTCFIWEH-LJQANCHMSA-N 1 0 321.424 4.571 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(CC)s2)cc1 ZINC000552090988 341369050 /nfs/dbraw/zinc/36/90/50/341369050.db2.gz ZGGJEUQAXBWGTF-CQSZACIVSA-N 1 0 301.455 4.726 20 30 DJEDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000553002659 341412455 /nfs/dbraw/zinc/41/24/55/341412455.db2.gz CHFSBRMQHIRWOE-OBVPDXSSSA-N 1 0 320.411 4.598 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000553293695 341423634 /nfs/dbraw/zinc/42/36/34/341423634.db2.gz CIPVPHCFVMVRFE-SFTDATJTSA-N 1 0 320.411 4.816 20 30 DJEDRO C[C@H](CCSc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000554849390 341466396 /nfs/dbraw/zinc/46/63/96/341466396.db2.gz YUZCPVFQPNXXPB-HZPDHXFCSA-N 1 0 310.466 4.780 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000555527706 341484197 /nfs/dbraw/zinc/48/41/97/341484197.db2.gz MSRPZBJGASFXLV-OCCSQVGLSA-N 1 0 323.267 4.865 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000556259701 341499732 /nfs/dbraw/zinc/49/97/32/341499732.db2.gz FQWYFKNXJYXACT-KBRIMQKVSA-N 1 0 310.828 4.808 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000565957761 341543671 /nfs/dbraw/zinc/54/36/71/341543671.db2.gz PEZQDVJIKSZUBT-DYESRHJHSA-N 1 0 322.452 4.594 20 30 DJEDRO C[C@@H]([NH2+]CCc1cc2ccccc2s1)c1ccc(C#N)cc1 ZINC000568872667 341683930 /nfs/dbraw/zinc/68/39/30/341683930.db2.gz RWPNAGBDLRCFHT-CQSZACIVSA-N 1 0 306.434 4.666 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2ccccc2o1 ZINC000572639693 341698696 /nfs/dbraw/zinc/69/86/96/341698696.db2.gz SDGCNFZRBCXPGQ-OAQYLSRUSA-N 1 0 318.420 4.986 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000574561445 341762133 /nfs/dbraw/zinc/76/21/33/341762133.db2.gz HAWNHSCDAYOGQC-SFTDATJTSA-N 1 0 302.421 4.595 20 30 DJEDRO N#CCCCC[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000575781841 341804187 /nfs/dbraw/zinc/80/41/87/341804187.db2.gz OOHYNABICKWLSM-UHFFFAOYSA-N 1 0 311.256 4.867 20 30 DJEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174415380 341826697 /nfs/dbraw/zinc/82/66/97/341826697.db2.gz YRAPALHKFKOKGT-SFHVURJKSA-N 1 0 322.433 4.595 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccco1 ZINC000576287255 341838503 /nfs/dbraw/zinc/83/85/03/341838503.db2.gz FPEGELYAZVOBGH-SJORKVTESA-N 1 0 303.446 4.758 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)s1 ZINC000176957799 341906852 /nfs/dbraw/zinc/90/68/52/341906852.db2.gz KBNMCKWMTKLJSS-GOSISDBHSA-N 1 0 314.429 4.780 20 30 DJEDRO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000177681275 341923545 /nfs/dbraw/zinc/92/35/45/341923545.db2.gz RYGPBHADJFIYNG-HXUWFJFHSA-N 1 0 318.445 4.693 20 30 DJEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000177708689 341924659 /nfs/dbraw/zinc/92/46/59/341924659.db2.gz LRIHNJVPFMYQMR-QGZVFWFLSA-N 1 0 314.454 4.505 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(F)c1 ZINC000178614642 341959910 /nfs/dbraw/zinc/95/99/10/341959910.db2.gz RPASYNVXVUNXCF-MRXNPFEDSA-N 1 0 302.418 4.636 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000336839313 525636970 /nfs/dbraw/zinc/63/69/70/525636970.db2.gz JPJGHXMOXGAION-WQGACYEGSA-N 1 0 314.479 4.896 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)c(F)c1 ZINC000364563494 526626184 /nfs/dbraw/zinc/62/61/84/526626184.db2.gz JPDIETXQSIUOQA-FQEVSTJZSA-N 1 0 323.415 4.504 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000035054084 331467999 /nfs/dbraw/zinc/46/79/99/331467999.db2.gz BJZHSPYMBZPHKA-MRXNPFEDSA-N 1 0 314.841 4.538 20 30 DJEDRO N#CCCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000180429179 331569146 /nfs/dbraw/zinc/56/91/46/331569146.db2.gz GQSOVAFQSHTTJG-GOSISDBHSA-N 1 0 316.807 4.852 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccccc1 ZINC000558091346 331865463 /nfs/dbraw/zinc/86/54/63/331865463.db2.gz BJGVKYKMEJEWDM-IBGZPJMESA-N 1 0 310.441 4.504 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 ZINC000090665109 332092239 /nfs/dbraw/zinc/09/22/39/332092239.db2.gz WJCDIJVDPNOMOM-YOEHRIQHSA-N 1 0 321.449 4.992 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000448021140 332181888 /nfs/dbraw/zinc/18/18/88/332181888.db2.gz GXPBZSLIEGAHGG-UFYCRDLUSA-N 1 0 323.484 4.743 20 30 DJEDRO CC[C@@H](C)[C@@H]([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000538196999 332217659 /nfs/dbraw/zinc/21/76/59/332217659.db2.gz AEHTYEWIVYFHRU-CZUORRHYSA-N 1 0 310.894 4.664 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537969680 332245819 /nfs/dbraw/zinc/24/58/19/332245819.db2.gz LBDGXFFXUHVKTO-NEPJUHHUSA-N 1 0 304.434 4.873 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(C)cc1 ZINC000237017616 332284009 /nfs/dbraw/zinc/28/40/09/332284009.db2.gz OWZNIBNZUGWDMI-OAQYLSRUSA-N 1 0 322.452 4.919 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3ccccc3s1)CC2 ZINC000559877855 332288412 /nfs/dbraw/zinc/28/84/12/332288412.db2.gz OVAXRFUNXXZQOE-SFHVURJKSA-N 1 0 304.418 4.550 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000564962110 332304707 /nfs/dbraw/zinc/30/47/07/332304707.db2.gz ABYGQUUQFCRPRK-NVPAJSRCSA-N 1 0 324.390 4.599 20 30 DJEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000237772342 332389716 /nfs/dbraw/zinc/38/97/16/332389716.db2.gz ISPKLRWMKPPROZ-UHFFFAOYSA-N 1 0 304.846 4.852 20 30 DJEDRO N#CCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000237783374 332390791 /nfs/dbraw/zinc/39/07/91/332390791.db2.gz JBPQZOWLSGPYPT-UHFFFAOYSA-N 1 0 304.846 4.852 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)s1 ZINC000574884809 332446121 /nfs/dbraw/zinc/44/61/21/332446121.db2.gz GXJSWKAMGZVECS-DLBZAZTESA-N 1 0 316.857 4.699 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 ZINC000570131450 332715550 /nfs/dbraw/zinc/71/55/50/332715550.db2.gz MYNVUHPNESLLRF-RBUKOAKNSA-N 1 0 310.828 4.940 20 30 DJEDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000462535934 332973212 /nfs/dbraw/zinc/97/32/12/332973212.db2.gz CZRNTWYHJUYHMM-VLIAUNLRSA-N 1 0 308.400 4.501 20 30 DJEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)c(F)c1 ZINC000580175403 332983675 /nfs/dbraw/zinc/98/36/75/332983675.db2.gz JCSNNAYXSDCITM-GFCCVEGCSA-N 1 0 314.791 4.691 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(OCc2ccccc2)c1 ZINC000178640422 333017371 /nfs/dbraw/zinc/01/73/71/333017371.db2.gz SKNHBPFVQZQCJH-QGZVFWFLSA-N 1 0 308.425 4.610 20 30 DJEDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000180543270 333162943 /nfs/dbraw/zinc/16/29/43/333162943.db2.gz WVEZOFWVYXKXPV-IRXDYDNUSA-N 1 0 308.425 4.618 20 30 DJEDRO COc1ccc2oc([C@@H](C)[NH2+]CCCC(C)(C)C#N)c(C)c2c1 ZINC000184321352 333194939 /nfs/dbraw/zinc/19/49/39/333194939.db2.gz DZNYYVMLLFTSKZ-CQSZACIVSA-N 1 0 314.429 4.730 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC000185843529 333215004 /nfs/dbraw/zinc/21/50/04/333215004.db2.gz RHDKOBVRQLSJIF-QWHCGFSZSA-N 1 0 302.468 4.571 20 30 DJEDRO CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497621112 333270748 /nfs/dbraw/zinc/27/07/48/333270748.db2.gz SDEHIFHHPUJGAQ-SQGPQFPESA-N 1 0 314.473 4.536 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)cc1 ZINC000020015716 333305346 /nfs/dbraw/zinc/30/53/46/333305346.db2.gz FOWAEJHFKRJXQJ-CQSZACIVSA-N 1 0 301.817 4.756 20 30 DJEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@H]1C[C@H]1c1ccccc1 ZINC000338771496 333497613 /nfs/dbraw/zinc/49/76/13/333497613.db2.gz GJBCTSNYDVQOHF-NASSWSRMSA-N 1 0 304.437 4.813 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000531566957 333537282 /nfs/dbraw/zinc/53/72/82/333537282.db2.gz JJCFDLYSKLQOMK-GOSISDBHSA-N 1 0 314.379 4.713 20 30 DJEDRO N#CC1(CC[NH+]2CCC(OCC3CCCC3)CC2)CCCCC1 ZINC000411326899 333656166 /nfs/dbraw/zinc/65/61/66/333656166.db2.gz IBMMYSPQOKINPU-UHFFFAOYSA-N 1 0 318.505 4.522 20 30 DJEDRO CC[C@@](C)([NH2+]CCC1(C#N)CCCCC1)c1nc(C)cs1 ZINC000411394860 333664104 /nfs/dbraw/zinc/66/41/04/333664104.db2.gz YMGORRGFYOAKSC-MRXNPFEDSA-N 1 0 305.491 4.531 20 30 DJEDRO C=CCC[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000571385562 333780233 /nfs/dbraw/zinc/78/02/33/333780233.db2.gz GWGTYQKSRVJCGU-UHFFFAOYSA-N 1 0 316.445 4.803 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Cl)ccc1OC(F)F ZINC000414161391 333915157 /nfs/dbraw/zinc/91/51/57/333915157.db2.gz FKOLRSWPPZDJBK-JTQLQIEISA-N 1 0 316.779 4.532 20 30 DJEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000414251569 333920947 /nfs/dbraw/zinc/92/09/47/333920947.db2.gz ACJFHCMLLZXBGE-CYBMUJFWSA-N 1 0 318.342 4.736 20 30 DJEDRO C=C(C[NH2+][C@H]1CCSc2ccc(OC)cc21)c1ccccc1 ZINC000343474116 335167651 /nfs/dbraw/zinc/16/76/51/335167651.db2.gz XHGOMAAPETXWGK-SFHVURJKSA-N 1 0 311.450 4.535 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000271479700 334023558 /nfs/dbraw/zinc/02/35/58/334023558.db2.gz NEQGRCRGFQWJQC-IRXDYDNUSA-N 1 0 308.425 4.618 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1C ZINC000273001060 334041964 /nfs/dbraw/zinc/04/19/64/334041964.db2.gz XQZFRUAFKUQNNI-VQIMIIECSA-N 1 0 308.425 4.699 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1C ZINC000273001058 334042010 /nfs/dbraw/zinc/04/20/10/334042010.db2.gz XQZFRUAFKUQNNI-QFBILLFUSA-N 1 0 308.425 4.699 20 30 DJEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000273301343 334045154 /nfs/dbraw/zinc/04/51/54/334045154.db2.gz NCZXYSPGYSATLR-CYBMUJFWSA-N 1 0 313.470 4.709 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456802 334046968 /nfs/dbraw/zinc/04/69/68/334046968.db2.gz HHOVUGGBTKSCKF-VQIMIIECSA-N 1 0 308.425 4.705 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456796 334047019 /nfs/dbraw/zinc/04/70/19/334047019.db2.gz HHOVUGGBTKSCKF-LPHOPBHVSA-N 1 0 308.425 4.705 20 30 DJEDRO CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000278391925 334095795 /nfs/dbraw/zinc/09/57/95/334095795.db2.gz DWGPKCGWMQJVCX-WOJBJXKFSA-N 1 0 303.409 4.644 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 ZINC000278554291 334098008 /nfs/dbraw/zinc/09/80/08/334098008.db2.gz BAUDDRXDPSKFDR-CYBMUJFWSA-N 1 0 310.388 4.659 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(N2CCCC2)c1 ZINC000278839512 334102072 /nfs/dbraw/zinc/10/20/72/334102072.db2.gz QUPFELQPUUBQEM-KRWDZBQOSA-N 1 0 313.489 4.657 20 30 DJEDRO C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)c2ccsc2S1 ZINC000282390021 334133999 /nfs/dbraw/zinc/13/39/99/334133999.db2.gz RCRVRAKUMZKJEG-CLTVBZQCSA-N 1 0 306.500 4.593 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(Cl)cn1 ZINC000340428790 334198188 /nfs/dbraw/zinc/19/81/88/334198188.db2.gz AINDJTYOFKCYRN-KSSFIOAISA-N 1 0 313.832 4.821 20 30 DJEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340430377 334198930 /nfs/dbraw/zinc/19/89/30/334198930.db2.gz GTZNVFXPBYYELV-YYWHXJBOSA-N 1 0 322.452 4.787 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000340430270 334198994 /nfs/dbraw/zinc/19/89/94/334198994.db2.gz ROFUETWNYJDSDP-OAHLLOKOSA-N 1 0 312.379 4.670 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000293761593 334201932 /nfs/dbraw/zinc/20/19/32/334201932.db2.gz JZBGXEKOFTZNRU-GUYCJALGSA-N 1 0 322.374 4.577 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000340444205 334202907 /nfs/dbraw/zinc/20/29/07/334202907.db2.gz GYCHNAAPBKVEMI-HNAYVOBHSA-N 1 0 323.396 4.681 20 30 DJEDRO CCC1(CC)[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H]1OC ZINC000340445473 334203945 /nfs/dbraw/zinc/20/39/45/334203945.db2.gz DOKNSWLMUQMITG-OTWHNJEPSA-N 1 0 314.473 4.605 20 30 DJEDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340447316 334204362 /nfs/dbraw/zinc/20/43/62/334204362.db2.gz PQHAZDXXJRZBKK-CEXWTWQISA-N 1 0 314.473 4.603 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000340448342 334204656 /nfs/dbraw/zinc/20/46/56/334204656.db2.gz RRCUSQYFDUFXSY-NHCUHLMSSA-N 1 0 304.437 4.569 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(SCC(F)F)cc1 ZINC000296504342 334234685 /nfs/dbraw/zinc/23/46/85/334234685.db2.gz PEDPTJWUBJWPPQ-IPYPFGDCSA-N 1 0 324.440 4.777 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000531951319 334309121 /nfs/dbraw/zinc/30/91/21/334309121.db2.gz BADPQEJXTJSYAP-HUUCEWRRSA-N 1 0 301.393 4.518 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2ccccc2n1 ZINC000531951320 334309198 /nfs/dbraw/zinc/30/91/98/334309198.db2.gz BADPQEJXTJSYAP-LSDHHAIUSA-N 1 0 301.393 4.518 20 30 DJEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000341340756 334431884 /nfs/dbraw/zinc/43/18/84/334431884.db2.gz GTCXYPRQEOLNFD-APWZRJJASA-N 1 0 324.493 4.974 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](CCC)c1ccsc1 ZINC000443100287 338444610 /nfs/dbraw/zinc/44/46/10/338444610.db2.gz FDVXKHPSTVWJTL-QGZVFWFLSA-N 1 0 301.455 4.944 20 30 DJEDRO CC(C)Oc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341760300 334478051 /nfs/dbraw/zinc/47/80/51/334478051.db2.gz LGABOJYTEAQWEG-NRFANRHFSA-N 1 0 320.436 4.513 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000341799813 334480178 /nfs/dbraw/zinc/48/01/78/334480178.db2.gz COTFSKSYMONWFE-RTWAWAEBSA-N 1 0 320.411 4.742 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000341799815 334480185 /nfs/dbraw/zinc/48/01/85/334480185.db2.gz COTFSKSYMONWFE-SFTDATJTSA-N 1 0 320.411 4.742 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000417368980 334764327 /nfs/dbraw/zinc/76/43/27/334764327.db2.gz QUVTZWCEDATCFL-LEWJYISDSA-N 1 0 320.436 4.685 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000417372312 334764912 /nfs/dbraw/zinc/76/49/12/334764912.db2.gz VTTZWZGDXKXBFV-YCRPNKLZSA-N 1 0 320.436 4.604 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)c1 ZINC000417372310 334765085 /nfs/dbraw/zinc/76/50/85/334765085.db2.gz VTTZWZGDXKXBFV-QVKFZJNVSA-N 1 0 320.436 4.604 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(C#N)cc1 ZINC000343988985 335205912 /nfs/dbraw/zinc/20/59/12/335205912.db2.gz PCCYRVVUHCIYCT-PCCBWWKXSA-N 1 0 320.436 4.519 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2sccc21 ZINC000344135225 335220793 /nfs/dbraw/zinc/22/07/93/335220793.db2.gz PNZDBLLQOFFDEM-QZTJIDSGSA-N 1 0 308.450 4.664 20 30 DJEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCCCC(C)(C)C#N ZINC000444668385 338480722 /nfs/dbraw/zinc/48/07/22/338480722.db2.gz CCNLJIPMDXTDPE-QGZVFWFLSA-N 1 0 302.462 4.846 20 30 DJEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(Cl)ccc1OC ZINC000348215344 335562144 /nfs/dbraw/zinc/56/21/44/335562144.db2.gz MJPZZAZJNKDGSP-HNNXBMFYSA-N 1 0 308.853 4.719 20 30 DJEDRO N#CCC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)c1ccccc1 ZINC000350092083 335723867 /nfs/dbraw/zinc/72/38/67/335723867.db2.gz FKJHDERIYTVMDG-NVAPOSRTSA-N 1 0 312.363 4.613 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000519736895 335892626 /nfs/dbraw/zinc/89/26/26/335892626.db2.gz VMVRGYVTSVOSOQ-MRXNPFEDSA-N 1 0 318.420 4.650 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1F ZINC000351105303 336013963 /nfs/dbraw/zinc/01/39/63/336013963.db2.gz VJMNRRQAZXSZEN-IBGZPJMESA-N 1 0 308.400 4.718 20 30 DJEDRO CCCCc1oc2ccccc2c1C[NH2+]Cc1cccc(C#N)c1 ZINC000324274595 336124565 /nfs/dbraw/zinc/12/45/65/336124565.db2.gz ZEWQROGJTYDVOD-UHFFFAOYSA-N 1 0 318.420 4.937 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612094 336226997 /nfs/dbraw/zinc/22/69/97/336226997.db2.gz MREMKMKAWCZGMP-NHCUHLMSSA-N 1 0 304.437 4.985 20 30 DJEDRO C=C1CC[NH+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000532556504 336255450 /nfs/dbraw/zinc/25/54/50/336255450.db2.gz LKOKCGLIGCSOMU-KRWDZBQOSA-N 1 0 320.436 4.652 20 30 DJEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000192759158 336260749 /nfs/dbraw/zinc/26/07/49/336260749.db2.gz KCVRFLXHCXNEOE-JKSUJKDBSA-N 1 0 308.425 4.757 20 30 DJEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000192991076 336286686 /nfs/dbraw/zinc/28/66/86/336286686.db2.gz QFTAPMDMRLKCSJ-JKSUJKDBSA-N 1 0 308.425 4.757 20 30 DJEDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000192999031 336286714 /nfs/dbraw/zinc/28/67/14/336286714.db2.gz OCMVBZYTMXOVGD-OXJNMPFZSA-N 1 0 308.425 4.781 20 30 DJEDRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000193008064 336286940 /nfs/dbraw/zinc/28/69/40/336286940.db2.gz BLOSWPKYFWUQSW-INIZCTEOSA-N 1 0 307.441 4.573 20 30 DJEDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016900 336287059 /nfs/dbraw/zinc/28/70/59/336287059.db2.gz ZWRRMMJWIUXTDD-KBPBESRZSA-N 1 0 314.454 4.679 20 30 DJEDRO N#CC1CCC(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000583672648 336391303 /nfs/dbraw/zinc/39/13/03/336391303.db2.gz UDIMPIRZKIEYBM-WTNGLUPJSA-N 1 0 302.849 4.637 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(OC)c(O)c1)c1ccccc1 ZINC000353250715 336408283 /nfs/dbraw/zinc/40/82/83/336408283.db2.gz GGPZSOORWXHPLQ-QAPCUYQASA-N 1 0 311.425 4.759 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1F ZINC000353274086 336409558 /nfs/dbraw/zinc/40/95/58/336409558.db2.gz OEAXPGIJTFMPSU-OALUTQOASA-N 1 0 312.363 4.565 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000353280082 336409817 /nfs/dbraw/zinc/40/98/17/336409817.db2.gz ZTEUEBDNWMURDT-MOPGFXCFSA-N 1 0 312.363 4.565 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000353912740 336447554 /nfs/dbraw/zinc/44/75/54/336447554.db2.gz GBZNCMGQQXADEH-FQEVSTJZSA-N 1 0 315.420 4.760 20 30 DJEDRO N#CCCC[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000353916934 336448105 /nfs/dbraw/zinc/44/81/05/336448105.db2.gz RZUOBAYEFATMQJ-HBMCJLEFSA-N 1 0 304.437 4.815 20 30 DJEDRO CSc1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353917687 336448310 /nfs/dbraw/zinc/44/83/10/336448310.db2.gz VHNWRDBPOVJSRS-IBGZPJMESA-N 1 0 310.466 4.933 20 30 DJEDRO N#CCC[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000358343689 336624976 /nfs/dbraw/zinc/62/49/76/336624976.db2.gz SYRGEFASFBBAAE-RTBURBONSA-N 1 0 310.828 4.962 20 30 DJEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000358344671 336625067 /nfs/dbraw/zinc/62/50/67/336625067.db2.gz WUZAFHCBIZWUIR-UWJYYQICSA-N 1 0 322.452 4.651 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000362529937 336802570 /nfs/dbraw/zinc/80/25/70/336802570.db2.gz UHDQPCLHDCXCJM-KRWDZBQOSA-N 1 0 302.780 4.614 20 30 DJEDRO N#Cc1ccc(F)c(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000372607734 336935999 /nfs/dbraw/zinc/93/59/99/336935999.db2.gz VNHBKSQSJILSJV-HXUWFJFHSA-N 1 0 323.415 4.504 20 30 DJEDRO N#CC1CCC(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000374211385 336983886 /nfs/dbraw/zinc/98/38/86/336983886.db2.gz NRRPKZPTSMHDEL-UHFFFAOYSA-N 1 0 302.849 4.506 20 30 DJEDRO CC(C)(C#N)CCCC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375940237 337023780 /nfs/dbraw/zinc/02/37/80/337023780.db2.gz FHTGVOKYCUBBCU-UHFFFAOYSA-N 1 0 317.864 4.544 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376268532 337030178 /nfs/dbraw/zinc/03/01/78/337030178.db2.gz DWBLHVSNPGGZHS-INIZCTEOSA-N 1 0 303.409 4.570 20 30 DJEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2ccncc2)cc1 ZINC000180890870 337178406 /nfs/dbraw/zinc/17/84/06/337178406.db2.gz GIONIASIMKCOMF-INIZCTEOSA-N 1 0 307.441 4.729 20 30 DJEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000583276710 337300787 /nfs/dbraw/zinc/30/07/87/337300787.db2.gz OBCIKSFHFOFYAJ-JQHSSLGASA-N 1 0 304.865 4.579 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1Cl ZINC000237825609 337469555 /nfs/dbraw/zinc/46/95/55/337469555.db2.gz HESXMIQDRJHIBW-MRXNPFEDSA-N 1 0 317.816 4.665 20 30 DJEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000421824967 337646376 /nfs/dbraw/zinc/64/63/76/337646376.db2.gz LDTIEVNQQJPAAF-CHWSQXEVSA-N 1 0 314.816 4.632 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1F ZINC000421871185 337657280 /nfs/dbraw/zinc/65/72/80/337657280.db2.gz FWDSNDDOCTVCBT-AWEZNQCLSA-N 1 0 308.809 4.653 20 30 DJEDRO CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962034 337780325 /nfs/dbraw/zinc/78/03/25/337780325.db2.gz DJQCVFZCFJVNHV-QUCCMNQESA-N 1 0 305.425 4.535 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc2c(ccc3ccccc23)o1 ZINC000424331764 337822237 /nfs/dbraw/zinc/82/22/37/337822237.db2.gz SMOVSPUCDAFDRG-IJEWVQPXSA-N 1 0 304.393 4.929 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000121840192 337901754 /nfs/dbraw/zinc/90/17/54/337901754.db2.gz SASYDKQTCLPVFI-OLZOCXBDSA-N 1 0 318.342 4.989 20 30 DJEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000537295964 337928951 /nfs/dbraw/zinc/92/89/51/337928951.db2.gz PNHCKCJYGSHTDF-IRXDYDNUSA-N 1 0 322.452 4.895 20 30 DJEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000537406671 337933614 /nfs/dbraw/zinc/93/36/14/337933614.db2.gz JPPYPGVXGILCRP-XOBRGWDASA-N 1 0 308.400 4.889 20 30 DJEDRO CC(C)[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000537412298 337933992 /nfs/dbraw/zinc/93/39/92/337933992.db2.gz UKGCCGRXPDGHOD-HNNXBMFYSA-N 1 0 312.379 4.932 20 30 DJEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000428440178 338051520 /nfs/dbraw/zinc/05/15/20/338051520.db2.gz RVOWCPVQMLEBJE-OLZOCXBDSA-N 1 0 304.434 4.640 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000428890862 338064663 /nfs/dbraw/zinc/06/46/63/338064663.db2.gz VTYXGABSEDERFN-AWEZNQCLSA-N 1 0 324.371 4.902 20 30 DJEDRO N#CCC1(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000430737600 338112781 /nfs/dbraw/zinc/11/27/81/338112781.db2.gz JDHTVOOQXGMMRY-HNNXBMFYSA-N 1 0 309.240 4.728 20 30 DJEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430744199 338113225 /nfs/dbraw/zinc/11/32/25/338113225.db2.gz NIPRBEUWTLVSQW-MRXNPFEDSA-N 1 0 320.436 4.707 20 30 DJEDRO CC(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430750083 338113474 /nfs/dbraw/zinc/11/34/74/338113474.db2.gz YGBCODYJFONULV-OAHLLOKOSA-N 1 0 310.363 4.686 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCOC1CCCCCC1)c1ccccc1 ZINC000433014402 338176271 /nfs/dbraw/zinc/17/62/71/338176271.db2.gz DPGAIAJNCKXODB-HXUWFJFHSA-N 1 0 314.473 4.751 20 30 DJEDRO N#CCCC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000433014475 338176367 /nfs/dbraw/zinc/17/63/67/338176367.db2.gz SDNCDWQUDSSDLB-FQEVSTJZSA-N 1 0 322.839 4.716 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000433025187 338176827 /nfs/dbraw/zinc/17/68/27/338176827.db2.gz ITJGUXNCDXBSTP-IBGZPJMESA-N 1 0 323.827 4.736 20 30 DJEDRO N#CCCC[C@H]([NH2+]CCCCC1CCOCC1)c1ccccc1 ZINC000433026311 338177063 /nfs/dbraw/zinc/17/70/63/338177063.db2.gz PCSZQVBQGCDEHY-FQEVSTJZSA-N 1 0 314.473 4.608 20 30 DJEDRO CCC(CC)n1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433028068 338177236 /nfs/dbraw/zinc/17/72/36/338177236.db2.gz NMDAWGGKRZHBDA-HXUWFJFHSA-N 1 0 324.472 4.769 20 30 DJEDRO CCc1cccc(OCC[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433031849 338177393 /nfs/dbraw/zinc/17/73/93/338177393.db2.gz PEQMAKTXNIJKDF-OAQYLSRUSA-N 1 0 322.452 4.653 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000435663418 338244516 /nfs/dbraw/zinc/24/45/16/338244516.db2.gz NUOSAHZVAQOOSK-IXDGSTSKSA-N 1 0 310.828 4.808 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000435664783 338244603 /nfs/dbraw/zinc/24/46/03/338244603.db2.gz NVGZRNUUDGLBBS-HSMVNMDESA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000436293855 338266797 /nfs/dbraw/zinc/26/67/97/338266797.db2.gz DWCFSJHBBFQCMY-VMGRFDJRSA-N 1 0 311.828 4.501 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000436299662 338267327 /nfs/dbraw/zinc/26/73/27/338267327.db2.gz GXFAXILRAJUTQL-ODVANORSSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000436308931 338268241 /nfs/dbraw/zinc/26/82/41/338268241.db2.gz RDVDYCPOUHVQAP-JCGVRSQUSA-N 1 0 319.832 4.718 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1coc(-c2ccc(C)cc2)n1)C1CC1 ZINC000439004002 338358197 /nfs/dbraw/zinc/35/81/97/338358197.db2.gz QOXZNOUJUKWBOK-LJQANCHMSA-N 1 0 310.441 4.527 20 30 DJEDRO C[C@@H](c1ccco1)N(Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439439183 338369509 /nfs/dbraw/zinc/36/95/09/338369509.db2.gz FAPYWDDFKSHNRM-LBPRGKRZSA-N 1 0 300.789 4.530 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000440927620 338400053 /nfs/dbraw/zinc/40/00/53/338400053.db2.gz LJHMPYFUMSYJQX-UHFFFAOYSA-N 1 0 320.436 4.516 20 30 DJEDRO N#CC1CCC(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000441372735 338410974 /nfs/dbraw/zinc/41/09/74/338410974.db2.gz QFPDEJFUSGZHDU-UHFFFAOYSA-N 1 0 302.805 4.506 20 30 DJEDRO CC(C)CCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000441374150 338411019 /nfs/dbraw/zinc/41/10/19/338411019.db2.gz GTPDSDSAGNNRON-UHFFFAOYSA-N 1 0 314.473 4.531 20 30 DJEDRO N#CC1CCC(C[NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000441374110 338411059 /nfs/dbraw/zinc/41/10/59/338411059.db2.gz GMVAKZOHVYZUEO-UHFFFAOYSA-N 1 0 304.437 4.773 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442774412 338430297 /nfs/dbraw/zinc/43/02/97/338430297.db2.gz AIYBTEZRCDMCSB-GOEBONIOSA-N 1 0 310.363 4.625 20 30 DJEDRO Cc1cccc(Oc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442776131 338430300 /nfs/dbraw/zinc/43/03/00/338430300.db2.gz BLGAOHHARIFZMD-WMZOPIPTSA-N 1 0 306.409 4.569 20 30 DJEDRO Cc1ccccc1Oc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780346 338430746 /nfs/dbraw/zinc/43/07/46/338430746.db2.gz MXBAHFDNTYFFBE-WMZOPIPTSA-N 1 0 306.409 4.569 20 30 DJEDRO N#CCC1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442863400 338435866 /nfs/dbraw/zinc/43/58/66/338435866.db2.gz CSTLZLLNTYGKDI-HOCLYGCPSA-N 1 0 322.374 4.625 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-c2ccccc2)o1 ZINC000442864071 338435915 /nfs/dbraw/zinc/43/59/15/338435915.db2.gz BNUKIUKXJIOGKJ-GTPINHCMSA-N 1 0 308.425 4.927 20 30 DJEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442868897 338436436 /nfs/dbraw/zinc/43/64/36/338436436.db2.gz ABYKIAUNFRJLRI-LRVUVFPRSA-N 1 0 305.491 4.556 20 30 DJEDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442877424 338437427 /nfs/dbraw/zinc/43/74/27/338437427.db2.gz UHYQTPMFCXAHQQ-NFOMZHRRSA-N 1 0 320.864 4.719 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000446811886 338536482 /nfs/dbraw/zinc/53/64/82/338536482.db2.gz FDCMGUNHPOISGY-XJKSGUPXSA-N 1 0 324.390 4.655 20 30 DJEDRO CC[C@H]([NH2+][C@H](c1ccc(OC)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000447539880 338555408 /nfs/dbraw/zinc/55/54/08/338555408.db2.gz HZNDKEWQDAROOZ-SFTDATJTSA-N 1 0 320.436 4.759 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000449059876 338589299 /nfs/dbraw/zinc/58/92/99/338589299.db2.gz QWHUXVDQLRRDLK-LXPRWKDFSA-N 1 0 302.849 4.853 20 30 DJEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449083808 338591908 /nfs/dbraw/zinc/59/19/08/338591908.db2.gz VLLNJNAZBFJSEE-LSJNQWAISA-N 1 0 300.446 4.597 20 30 DJEDRO CC1(C#N)CCC([NH2+]CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000449106445 338594001 /nfs/dbraw/zinc/59/40/01/338594001.db2.gz MCZVYRGLPOVKCR-UHFFFAOYSA-N 1 0 324.390 4.700 20 30 DJEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000449130061 338595660 /nfs/dbraw/zinc/59/56/60/338595660.db2.gz XDYKYLMHUBFHJW-SFYCDEOASA-N 1 0 305.491 4.564 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000449130060 338595783 /nfs/dbraw/zinc/59/57/83/338595783.db2.gz XDYKYLMHUBFHJW-POZPTJLLSA-N 1 0 305.491 4.564 20 30 DJEDRO CC1(C#N)CCC([NH2+]CCCCCc2ccc(F)cc2)CC1 ZINC000449258627 338607552 /nfs/dbraw/zinc/60/75/52/338607552.db2.gz NLGCIUUUUWJBEY-UHFFFAOYSA-N 1 0 302.437 4.601 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000449297641 338610594 /nfs/dbraw/zinc/61/05/94/338610594.db2.gz GZLHOOCFPSTAKA-WEOZKBJRSA-N 1 0 300.421 4.524 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000449298410 338610595 /nfs/dbraw/zinc/61/05/95/338610595.db2.gz HPNXBDTXORDUBN-QCTRZYONSA-N 1 0 300.421 4.524 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000449445191 338624654 /nfs/dbraw/zinc/62/46/54/338624654.db2.gz HJOZGLZGEUOIKM-XDKFSHSGSA-N 1 0 302.849 4.648 20 30 DJEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446875 338624917 /nfs/dbraw/zinc/62/49/17/338624917.db2.gz VBISPTDRASNYPZ-GBLSNTLBSA-N 1 0 322.374 4.781 20 30 DJEDRO C=CCC1([NH2+]Cc2cnc(C(F)(F)F)s2)CCCCC1 ZINC000449571935 338638802 /nfs/dbraw/zinc/63/88/02/338638802.db2.gz HUSHCDZZRUJFKR-UHFFFAOYSA-N 1 0 304.381 4.531 20 30 DJEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Oc2ccccc2)cn1 ZINC000453241737 338812958 /nfs/dbraw/zinc/81/29/58/338812958.db2.gz ZMEZAHKVNGIAJA-MRXNPFEDSA-N 1 0 323.440 4.854 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)c1ccc(C#N)cc1 ZINC000453245744 338813584 /nfs/dbraw/zinc/81/35/84/338813584.db2.gz IDXMWHKXNIECCO-BUXKBTBVSA-N 1 0 312.363 4.565 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)CC2 ZINC000453278923 338817758 /nfs/dbraw/zinc/81/77/58/338817758.db2.gz CXUQHVCXXUVWOX-BHYGNILZSA-N 1 0 322.374 4.646 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccccc1 ZINC000459487851 339032150 /nfs/dbraw/zinc/03/21/50/339032150.db2.gz NCWZOPYVTQKGPY-QGZVFWFLSA-N 1 0 306.400 4.837 20 30 DJEDRO C=CCC[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000462233979 339074714 /nfs/dbraw/zinc/07/47/14/339074714.db2.gz FFRQZOYXBNFRCO-SFHVURJKSA-N 1 0 301.817 4.604 20 30 DJEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805808 339090191 /nfs/dbraw/zinc/09/01/91/339090191.db2.gz IOKWCFSFBSZGLC-QWHCGFSZSA-N 1 0 304.434 4.955 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000462842221 339093843 /nfs/dbraw/zinc/09/38/43/339093843.db2.gz XMIFERHVXSUJOJ-QYWGDWMGSA-N 1 0 304.437 4.923 20 30 DJEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463233796 339110731 /nfs/dbraw/zinc/11/07/31/339110731.db2.gz FEFQJFAEWCDFFQ-UPJWGTAASA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000463239558 339111256 /nfs/dbraw/zinc/11/12/56/339111256.db2.gz ZWBVTGRHFXBSOH-WFASDCNBSA-N 1 0 311.256 4.598 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1cccc(Cl)c1 ZINC000463244312 339111556 /nfs/dbraw/zinc/11/15/56/339111556.db2.gz GTYHQBPCNAERSH-NVXWUHKLSA-N 1 0 304.865 4.581 20 30 DJEDRO CCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(OC)cc1 ZINC000463280639 339113195 /nfs/dbraw/zinc/11/31/95/339113195.db2.gz FEXQGEMZOZUAEP-SUMDDJOVSA-N 1 0 300.446 4.598 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000463298074 339113997 /nfs/dbraw/zinc/11/39/97/339113997.db2.gz UJIAGSUCRZEFDF-HBNTYKKESA-N 1 0 315.219 4.865 20 30 DJEDRO CCC[N@H+](CCCSCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000466721306 339214231 /nfs/dbraw/zinc/21/42/31/339214231.db2.gz UFHXSGKCQMMDQW-OAHLLOKOSA-N 1 0 316.470 4.853 20 30 DJEDRO N#CCSCCC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000466725785 339214456 /nfs/dbraw/zinc/21/44/56/339214456.db2.gz YYTJLGSKJKANID-QGZVFWFLSA-N 1 0 322.905 4.904 20 30 DJEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000467409885 339236940 /nfs/dbraw/zinc/23/69/40/339236940.db2.gz BHBFTCWYMCNCCY-JSGCOSHPSA-N 1 0 301.352 4.633 20 30 DJEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000467409963 339237126 /nfs/dbraw/zinc/23/71/26/339237126.db2.gz CAGJQTYRVNVYSA-WBAXXEDZSA-N 1 0 308.400 4.603 20 30 DJEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000467417284 339237504 /nfs/dbraw/zinc/23/75/04/339237504.db2.gz KGLIHRNBYLNGTD-WBVHZDCISA-N 1 0 317.477 4.566 20 30 DJEDRO CCSc1ccccc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467431859 339238169 /nfs/dbraw/zinc/23/81/69/339238169.db2.gz FVSCEGWGOMNOAL-OAHLLOKOSA-N 1 0 310.466 4.564 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476283 339263725 /nfs/dbraw/zinc/26/37/25/339263725.db2.gz SBTLPHXCZLXPSG-WWGRRREGSA-N 1 0 311.256 4.911 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583833 339348037 /nfs/dbraw/zinc/34/80/37/339348037.db2.gz BWMOQNIWKODGMY-ZMYBRWDISA-N 1 0 310.828 4.711 20 30 DJEDRO CCSc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000472069977 339362176 /nfs/dbraw/zinc/36/21/76/339362176.db2.gz YKTOTKIRYYHJDU-CYBMUJFWSA-N 1 0 314.429 4.660 20 30 DJEDRO CC(C)(C#N)CCC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000472433686 339371733 /nfs/dbraw/zinc/37/17/33/339371733.db2.gz ONJPEFVLMCTNKJ-UHFFFAOYSA-N 1 0 323.278 4.604 20 30 DJEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000472447363 339372028 /nfs/dbraw/zinc/37/20/28/339372028.db2.gz LBHJINGIWGTWBI-UHFFFAOYSA-N 1 0 323.278 4.601 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000472456401 339372186 /nfs/dbraw/zinc/37/21/86/339372186.db2.gz WZNZPASTXNMBNM-UHFFFAOYSA-N 1 0 316.464 4.943 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474473148 339416281 /nfs/dbraw/zinc/41/62/81/339416281.db2.gz PULXJAJIYAPUBI-BYCMXARLSA-N 1 0 316.857 4.555 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000474878917 339429589 /nfs/dbraw/zinc/42/95/89/339429589.db2.gz AWNKPEZVRGYNRN-ARFHVFGLSA-N 1 0 305.462 4.530 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000474878922 339429611 /nfs/dbraw/zinc/42/96/11/339429611.db2.gz AWNKPEZVRGYNRN-XHSDSOJGSA-N 1 0 305.462 4.530 20 30 DJEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000475666388 339458587 /nfs/dbraw/zinc/45/85/87/339458587.db2.gz BXAICOBJGQJCPG-UHFFFAOYSA-N 1 0 322.452 4.680 20 30 DJEDRO C[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000478417497 339515043 /nfs/dbraw/zinc/51/50/43/339515043.db2.gz NBWRVRQCQQJSIO-CQSZACIVSA-N 1 0 314.379 4.510 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1ccc(C)c(F)c1)c1ccc(F)c(F)c1 ZINC000479421178 339534267 /nfs/dbraw/zinc/53/42/67/339534267.db2.gz JDEYWYKESRFWAZ-SFHVURJKSA-N 1 0 305.343 4.819 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479499512 339538132 /nfs/dbraw/zinc/53/81/32/339538132.db2.gz NNJVNHGFYUKTJJ-SFHVURJKSA-N 1 0 313.828 4.682 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000479537832 339539939 /nfs/dbraw/zinc/53/99/39/339539939.db2.gz HKAMMLPPETVURG-OMWUSAIZSA-N 1 0 310.828 4.808 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(F)c(F)c1 ZINC000480677372 339582956 /nfs/dbraw/zinc/58/29/56/339582956.db2.gz QNJCURIMJCOGJC-MOPGFXCFSA-N 1 0 317.354 4.998 20 30 DJEDRO CCCCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000480786533 339587234 /nfs/dbraw/zinc/58/72/34/339587234.db2.gz PDZWOZWSTKUNSI-KRWDZBQOSA-N 1 0 322.452 4.978 20 30 DJEDRO COc1ccc([C@H](CCC(C)C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000480798064 339587734 /nfs/dbraw/zinc/58/77/34/339587734.db2.gz SGHKXQXNKCFZGU-NRFANRHFSA-N 1 0 322.452 4.834 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000481720802 339611099 /nfs/dbraw/zinc/61/10/99/339611099.db2.gz UMPGVQPUOHIRER-JCGIZDLHSA-N 1 0 308.400 4.684 20 30 DJEDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922511 339616759 /nfs/dbraw/zinc/61/67/59/339616759.db2.gz PEOWVEBINYXVKP-QVKFZJNVSA-N 1 0 320.436 4.685 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000484070715 339680364 /nfs/dbraw/zinc/68/03/64/339680364.db2.gz SUVKJQBDZOSKFI-GOSISDBHSA-N 1 0 314.379 4.713 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)cc1F ZINC000484099993 339680870 /nfs/dbraw/zinc/68/08/70/339680870.db2.gz VOKMTZIJHXXJKS-UHFFFAOYSA-N 1 0 308.400 4.647 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)ccc1C#N ZINC000488155501 339771984 /nfs/dbraw/zinc/77/19/84/339771984.db2.gz XCDXJWZCEUTAQV-LJQANCHMSA-N 1 0 314.379 4.632 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)ccc1C#N ZINC000488234803 339774148 /nfs/dbraw/zinc/77/41/48/339774148.db2.gz SCTBWVBVYJBZGG-HXUWFJFHSA-N 1 0 308.400 4.637 20 30 DJEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000488554996 339787527 /nfs/dbraw/zinc/78/75/27/339787527.db2.gz NXBXSDRHLCBWOL-VQTJNVASSA-N 1 0 314.473 4.674 20 30 DJEDRO C=CCCCCC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000489021462 339800132 /nfs/dbraw/zinc/80/01/32/339800132.db2.gz UNHQWPLQICHOLA-ZDUSSCGKSA-N 1 0 307.388 4.828 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2C)C2CC2)c1 ZINC000489074812 339801466 /nfs/dbraw/zinc/80/14/66/339801466.db2.gz VYNWPRBFVDEEHT-NRFANRHFSA-N 1 0 307.437 4.801 20 30 DJEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494460541 339950106 /nfs/dbraw/zinc/95/01/06/339950106.db2.gz ZMUIEQXZIYZPQK-HUUCEWRRSA-N 1 0 314.404 4.703 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494492937 339951279 /nfs/dbraw/zinc/95/12/79/339951279.db2.gz IWMZPQMYKGIDJD-AFAVFJNCSA-N 1 0 311.828 4.644 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000498795296 340023456 /nfs/dbraw/zinc/02/34/56/340023456.db2.gz OETJGYXSRAJKTA-BLLLJJGKSA-N 1 0 320.230 4.686 20 30 DJEDRO C=CCOc1ccccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000500413704 340057462 /nfs/dbraw/zinc/05/74/62/340057462.db2.gz ILFLAYWOVLVXGK-UHFFFAOYSA-N 1 0 308.356 4.551 20 30 DJEDRO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450444 340059206 /nfs/dbraw/zinc/05/92/06/340059206.db2.gz GUUUTDVCCCSFMY-DLBZAZTESA-N 1 0 322.452 4.689 20 30 DJEDRO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450445 340059261 /nfs/dbraw/zinc/05/92/61/340059261.db2.gz GUUUTDVCCCSFMY-IAGOWNOFSA-N 1 0 322.452 4.689 20 30 DJEDRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000500450447 340059319 /nfs/dbraw/zinc/05/93/19/340059319.db2.gz GUUUTDVCCCSFMY-SJORKVTESA-N 1 0 322.452 4.689 20 30 DJEDRO CSc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502548751 340107522 /nfs/dbraw/zinc/10/75/22/340107522.db2.gz OPYDLLFKIKSQBM-UHFFFAOYSA-N 1 0 320.461 4.569 20 30 DJEDRO C[C@@H]1C[C@]1([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000503412478 340127683 /nfs/dbraw/zinc/12/76/83/340127683.db2.gz VCPLWZWTPIMYCE-RDTXWAMCSA-N 1 0 304.865 4.885 20 30 DJEDRO CN(Cc1ccc(Oc2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000507607473 340226051 /nfs/dbraw/zinc/22/60/51/340226051.db2.gz RBTMPSXSOVZKIF-UHFFFAOYSA-N 1 0 318.376 4.576 20 30 DJEDRO C=C(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000507659012 340227424 /nfs/dbraw/zinc/22/74/24/340227424.db2.gz IVANTFMORKRLHK-UHFFFAOYSA-N 1 0 316.448 4.694 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC000507911834 340235775 /nfs/dbraw/zinc/23/57/75/340235775.db2.gz CUWQXKYQIDKKMA-GFCCVEGCSA-N 1 0 319.235 4.586 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000508616707 340248233 /nfs/dbraw/zinc/24/82/33/340248233.db2.gz VZZNDNMOKPDDBD-INIZCTEOSA-N 1 0 308.425 4.540 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000508616708 340248272 /nfs/dbraw/zinc/24/82/72/340248272.db2.gz VZZNDNMOKPDDBD-MRXNPFEDSA-N 1 0 308.425 4.540 20 30 DJEDRO CC[N@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617830 340248429 /nfs/dbraw/zinc/24/84/29/340248429.db2.gz ZMSZVTDKDWEKPA-GFCCVEGCSA-N 1 0 322.330 4.753 20 30 DJEDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000508668122 340250084 /nfs/dbraw/zinc/25/00/84/340250084.db2.gz WPMYNKKDQMOYTA-INIZCTEOSA-N 1 0 308.425 4.540 20 30 DJEDRO C=C(C)CC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000509030711 340258727 /nfs/dbraw/zinc/25/87/27/340258727.db2.gz JRRJIOMHJUDOSQ-UHFFFAOYSA-N 1 0 304.484 4.504 20 30 DJEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@H](C)c1cc2ccccc2o1 ZINC000511896425 340342146 /nfs/dbraw/zinc/34/21/46/340342146.db2.gz OIKRIDDUGDSVSH-CYBMUJFWSA-N 1 0 310.422 4.949 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)cc1F ZINC000512613868 340369133 /nfs/dbraw/zinc/36/91/33/340369133.db2.gz UGJGXRUEWIHMLF-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc2c(c1)CCCC2 ZINC000512625401 340369650 /nfs/dbraw/zinc/36/96/50/340369650.db2.gz NXZWNFZSJULXIX-GJZGRUSLSA-N 1 0 322.427 4.988 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc(C#N)cc1F ZINC000512626172 340369681 /nfs/dbraw/zinc/36/96/81/340369681.db2.gz SJZCDWGUHWNRLW-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000512630045 340370036 /nfs/dbraw/zinc/37/00/36/340370036.db2.gz LGIYBGROWAZYHF-ZMZPIMSZSA-N 1 0 314.791 4.689 20 30 DJEDRO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512631932 340370058 /nfs/dbraw/zinc/37/00/58/340370058.db2.gz UXYBYADXVWTFCJ-ZDUSSCGKSA-N 1 0 314.429 4.579 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652300 340371164 /nfs/dbraw/zinc/37/11/64/340371164.db2.gz LKIPLUJXLMAFKF-ORAYPTAESA-N 1 0 317.379 4.508 20 30 DJEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc4ccccc43)CC2)o1 ZINC000512710231 340373888 /nfs/dbraw/zinc/37/38/88/340373888.db2.gz PCZVUOPJMRWCFD-UHFFFAOYSA-N 1 0 316.404 4.684 20 30 DJEDRO CC(C)(C)[N@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000513028160 340389322 /nfs/dbraw/zinc/38/93/22/340389322.db2.gz WETIUCUEPVJLKJ-UHFFFAOYSA-N 1 0 302.418 4.560 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000174866282 340397948 /nfs/dbraw/zinc/39/79/48/340397948.db2.gz KUPQZDZCWNWLPF-MRXNPFEDSA-N 1 0 322.905 4.760 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)c2ccccc21 ZINC000191604685 340556409 /nfs/dbraw/zinc/55/64/09/340556409.db2.gz ONIZYKSRSGFAGZ-CYBMUJFWSA-N 1 0 323.827 4.554 20 30 DJEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Br)cc1 ZINC000229679295 340614723 /nfs/dbraw/zinc/61/47/23/340614723.db2.gz GYQVDARWYGCOLO-OAHLLOKOSA-N 1 0 323.278 4.820 20 30 DJEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000236666513 340663576 /nfs/dbraw/zinc/66/35/76/340663576.db2.gz UHHGXSBKVHZDRT-UHFFFAOYSA-N 1 0 322.452 4.618 20 30 DJEDRO N#CCC1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000525993330 340707819 /nfs/dbraw/zinc/70/78/19/340707819.db2.gz IVLXXKHVDCXQGK-UHFFFAOYSA-N 1 0 324.390 4.654 20 30 DJEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000537947333 340792650 /nfs/dbraw/zinc/79/26/50/340792650.db2.gz QXHCWCAMPQNOFA-DNVCBOLYSA-N 1 0 323.396 4.599 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000538258861 340815380 /nfs/dbraw/zinc/81/53/80/340815380.db2.gz MSVSAJHOODUQCO-IBGZPJMESA-N 1 0 310.416 4.883 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000539608628 340892509 /nfs/dbraw/zinc/89/25/09/340892509.db2.gz VMISFAKDQKJACR-VBKZILBWSA-N 1 0 308.400 4.808 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000540174738 340920499 /nfs/dbraw/zinc/92/04/99/340920499.db2.gz WGOABCBXJSXYCY-STQMWFEESA-N 1 0 316.470 4.742 20 30 DJEDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000540594895 340937332 /nfs/dbraw/zinc/93/73/32/340937332.db2.gz HKYQFDKAKSFHIH-AWEZNQCLSA-N 1 0 310.828 4.594 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000540608036 340938639 /nfs/dbraw/zinc/93/86/39/340938639.db2.gz WKWOXWPTYQINAF-STQMWFEESA-N 1 0 313.388 4.692 20 30 DJEDRO CC1(C)CC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)c3cccc1c32 ZINC000540689601 340941665 /nfs/dbraw/zinc/94/16/65/340941665.db2.gz ZWPBDIUCWWLJHB-FXAWDEMLSA-N 1 0 316.448 4.948 20 30 DJEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(CC#N)cc2)C2CC2)o1 ZINC000542210456 341000361 /nfs/dbraw/zinc/00/03/61/341000361.db2.gz SIXMORGJTPMURI-YWZLYKJASA-N 1 0 320.436 4.634 20 30 DJEDRO C[C@@H]([NH2+]CCCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000542498522 341010623 /nfs/dbraw/zinc/01/06/23/341010623.db2.gz YAQXKXHVPZTLNQ-SECBINFHSA-N 1 0 324.268 4.679 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000542565306 341013905 /nfs/dbraw/zinc/01/39/05/341013905.db2.gz OVWLSGISKWCHIU-GHMZBOCLSA-N 1 0 306.397 4.947 20 30 DJEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945685 341026959 /nfs/dbraw/zinc/02/69/59/341026959.db2.gz XRHKUSLUSKMBJK-INIZCTEOSA-N 1 0 317.436 4.816 20 30 DJEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945688 341027022 /nfs/dbraw/zinc/02/70/22/341027022.db2.gz XRHKUSLUSKMBJK-MRXNPFEDSA-N 1 0 317.436 4.816 20 30 DJEDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944084 341027027 /nfs/dbraw/zinc/02/70/27/341027027.db2.gz XECNVIROQNPRQE-KRWDZBQOSA-N 1 0 322.452 4.691 20 30 DJEDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542992920 341028200 /nfs/dbraw/zinc/02/82/00/341028200.db2.gz RDXKGZKEHMCQAW-OAHLLOKOSA-N 1 0 322.477 4.771 20 30 DJEDRO C=CCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543051486 341029533 /nfs/dbraw/zinc/02/95/33/341029533.db2.gz SNXJFQCBSOSCON-SFHVURJKSA-N 1 0 300.833 4.575 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1C(F)(F)F ZINC000543185372 341035904 /nfs/dbraw/zinc/03/59/04/341035904.db2.gz KTQKARDTPZBNJQ-ZDUSSCGKSA-N 1 0 318.342 4.622 20 30 DJEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1c2ccccc2-c2ccccc21 ZINC000544072194 341069319 /nfs/dbraw/zinc/06/93/19/341069319.db2.gz OVBCJRXQNSBDHA-UHFFFAOYSA-N 1 0 324.427 4.954 20 30 DJEDRO N#CCCC[NH2+]Cc1c(Cl)cccc1Oc1ccccc1 ZINC000544180263 341073177 /nfs/dbraw/zinc/07/31/77/341073177.db2.gz DQILXGLFCDKTAP-UHFFFAOYSA-N 1 0 300.789 4.526 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000544448279 341082698 /nfs/dbraw/zinc/08/26/98/341082698.db2.gz RPNOLRNNUZDYOK-INIZCTEOSA-N 1 0 314.454 4.505 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000544602701 341088308 /nfs/dbraw/zinc/08/83/08/341088308.db2.gz AVHSDMZXASAUEU-LBPRGKRZSA-N 1 0 302.780 4.510 20 30 DJEDRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000545235948 341116408 /nfs/dbraw/zinc/11/64/08/341116408.db2.gz FGHONTCDPSTAKZ-LBPRGKRZSA-N 1 0 308.356 4.603 20 30 DJEDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000545465135 341126369 /nfs/dbraw/zinc/12/63/69/341126369.db2.gz MXTZKLGREDTNKV-SFHVURJKSA-N 1 0 322.452 4.837 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872194 341143712 /nfs/dbraw/zinc/14/37/12/341143712.db2.gz XBHHRJHUHAYABV-OWCLPIDISA-N 1 0 310.363 4.623 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000546165782 341155502 /nfs/dbraw/zinc/15/55/02/341155502.db2.gz DFQUDKNJAYXEKU-CABCVRRESA-N 1 0 322.427 4.988 20 30 DJEDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000546178830 341156122 /nfs/dbraw/zinc/15/61/22/341156122.db2.gz MJBSVJVGEZVVFH-SECBINFHSA-N 1 0 317.248 4.665 20 30 DJEDRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCSCC#N ZINC000074980965 341158673 /nfs/dbraw/zinc/15/86/73/341158673.db2.gz GXQKJBSVNWINCC-NSHDSACASA-N 1 0 317.285 4.633 20 30 DJEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000546930921 341187006 /nfs/dbraw/zinc/18/70/06/341187006.db2.gz HYUGKFZVJDLKJB-QGZVFWFLSA-N 1 0 306.453 4.955 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000236817317 341202225 /nfs/dbraw/zinc/20/22/25/341202225.db2.gz KFMDZRZIYRWCDM-UHFFFAOYSA-N 1 0 304.865 4.681 20 30 DJEDRO COc1cccc(-c2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)c1 ZINC000237338111 341212072 /nfs/dbraw/zinc/21/20/72/341212072.db2.gz UDBLUZBUFDHVSP-UHFFFAOYSA-N 1 0 322.452 4.782 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1Cl ZINC000135101641 341231010 /nfs/dbraw/zinc/23/10/10/341231010.db2.gz RNCXAVPKWKLMET-CQSZACIVSA-N 1 0 312.844 4.992 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000135107390 341231043 /nfs/dbraw/zinc/23/10/43/341231043.db2.gz YZAYPLUXDOXCAD-HXUWFJFHSA-N 1 0 306.453 4.975 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536579 341296867 /nfs/dbraw/zinc/29/68/67/341296867.db2.gz SKSHSLNJNURKCD-MDOVXXIYSA-N 1 0 308.400 4.836 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544957 341297078 /nfs/dbraw/zinc/29/70/78/341297078.db2.gz RUYZSPHXEZZCAV-LUQKVYGDSA-N 1 0 315.420 4.568 20 30 DJEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2c(s1)CCCC2 ZINC000551805736 341352398 /nfs/dbraw/zinc/35/23/98/341352398.db2.gz YFPAKODCOJCPCL-AWEZNQCLSA-N 1 0 322.477 4.838 20 30 DJEDRO Cc1ccc2cc([C@H](C)[NH2+]C3(c4cccc(C#N)c4)CC3)oc2c1 ZINC000551813170 341352695 /nfs/dbraw/zinc/35/26/95/341352695.db2.gz IVUNVXZZESSBDP-HNNXBMFYSA-N 1 0 316.404 4.953 20 30 DJEDRO C=CCC[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000552250810 341381316 /nfs/dbraw/zinc/38/13/16/341381316.db2.gz BOSZOJVVRFUBPW-IBGZPJMESA-N 1 0 316.489 4.674 20 30 DJEDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000552969983 341411167 /nfs/dbraw/zinc/41/11/67/341411167.db2.gz BEIUVPGVTBIFRG-YCRPNKLZSA-N 1 0 304.437 4.849 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000554074790 341442733 /nfs/dbraw/zinc/44/27/33/341442733.db2.gz GKIWKVKYSLQXGN-DOTOQJQBSA-N 1 0 304.865 4.896 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000554077859 341442898 /nfs/dbraw/zinc/44/28/98/341442898.db2.gz SRWMXEIONBFJNJ-HXUWFJFHSA-N 1 0 306.453 4.890 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000555527589 341484175 /nfs/dbraw/zinc/48/41/75/341484175.db2.gz HTCSSFTWRLHNOI-TZMCWYRMSA-N 1 0 323.267 4.865 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000556218383 341497666 /nfs/dbraw/zinc/49/76/66/341497666.db2.gz SOJCJUCHTPAWMF-HXUWFJFHSA-N 1 0 324.468 4.566 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000556255595 341499576 /nfs/dbraw/zinc/49/95/76/341499576.db2.gz WFLJVZYRPYUPSP-RYUDHWBXSA-N 1 0 302.780 4.763 20 30 DJEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000152978478 341514924 /nfs/dbraw/zinc/51/49/24/341514924.db2.gz VFRNBMPSARJKIL-INIZCTEOSA-N 1 0 304.846 4.904 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1 ZINC000565957764 341543745 /nfs/dbraw/zinc/54/37/45/341543745.db2.gz PEZQDVJIKSZUBT-UTKZUKDTSA-N 1 0 322.452 4.594 20 30 DJEDRO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000566754307 341567262 /nfs/dbraw/zinc/56/72/62/341567262.db2.gz BEELKLYZCROQGL-AWEZNQCLSA-N 1 0 310.828 4.961 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000575818480 341806622 /nfs/dbraw/zinc/80/66/22/341806622.db2.gz MPOHTPXZRFDOAV-UHFFFAOYSA-N 1 0 317.379 4.653 20 30 DJEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000575819709 341806718 /nfs/dbraw/zinc/80/67/18/341806718.db2.gz FHJGULSAOXEAFB-AWEZNQCLSA-N 1 0 322.880 4.557 20 30 DJEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccsc2S1 ZINC000577220083 341898156 /nfs/dbraw/zinc/89/81/56/341898156.db2.gz DFYOSXHYAGFPTM-LRDDRELGSA-N 1 0 314.479 4.529 20 30 DJEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000078968503 185137403 /nfs/dbraw/zinc/13/74/03/185137403.db2.gz UJAVHPTXOYSZOK-JKSUJKDBSA-N 1 0 308.425 4.757 20 30 DJEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OC ZINC000057959007 334952968 /nfs/dbraw/zinc/95/29/68/334952968.db2.gz VFUFWRWXKVEWRB-INIZCTEOSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccccc1 ZINC000284440658 335012865 /nfs/dbraw/zinc/01/28/65/335012865.db2.gz STRSFRKYAHOJPS-GOSISDBHSA-N 1 0 309.457 4.571 20 30 DJEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnc2ccsc2c1 ZINC000272286839 130016228 /nfs/dbraw/zinc/01/62/28/130016228.db2.gz PIJQCDSEBNQJCE-ZDUSSCGKSA-N 1 0 319.433 4.508 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000173919717 332841064 /nfs/dbraw/zinc/84/10/64/332841064.db2.gz JYRIIZIWBAFKEQ-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3sc(Cl)cc31)CC2 ZINC000564428273 331741213 /nfs/dbraw/zinc/74/12/13/331741213.db2.gz REXUZDGQSAUVIC-GJZGRUSLSA-N 1 0 314.841 4.538 20 30 DJEDRO CCCOc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000557518323 331796801 /nfs/dbraw/zinc/79/68/01/331796801.db2.gz ZQOLFQFNNVFLTG-NRFANRHFSA-N 1 0 320.436 4.514 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccccc1 ZINC000558091347 331865355 /nfs/dbraw/zinc/86/53/55/331865355.db2.gz BJGVKYKMEJEWDM-LJQANCHMSA-N 1 0 310.441 4.504 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000558239107 331886869 /nfs/dbraw/zinc/88/68/69/331886869.db2.gz ZIFWCKLHDVJKLQ-DLBZAZTESA-N 1 0 304.865 4.896 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000558479901 331911342 /nfs/dbraw/zinc/91/13/42/331911342.db2.gz DWVNPDRXCOYPKU-AWEZNQCLSA-N 1 0 319.857 4.743 20 30 DJEDRO CC(C)Sc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000558741024 331940565 /nfs/dbraw/zinc/94/05/65/331940565.db2.gz HHZYLAVHTCGWIU-HNNXBMFYSA-N 1 0 310.466 4.910 20 30 DJEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCSCC#N ZINC000584245469 331951663 /nfs/dbraw/zinc/95/16/63/331951663.db2.gz DOIGFLKXVUDRGC-KRWDZBQOSA-N 1 0 324.921 4.534 20 30 DJEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000569352498 332023194 /nfs/dbraw/zinc/02/31/94/332023194.db2.gz QTRHNNHAFRIGJQ-RDTXWAMCSA-N 1 0 315.848 4.604 20 30 DJEDRO CC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000518595919 332089712 /nfs/dbraw/zinc/08/97/12/332089712.db2.gz FTPYQKKSFSGVGR-UHFFFAOYSA-N 1 0 300.405 4.734 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000090664947 332091967 /nfs/dbraw/zinc/09/19/67/332091967.db2.gz LOQQGWCBJUUJHL-PMACEKPBSA-N 1 0 320.436 4.707 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000090664803 332091991 /nfs/dbraw/zinc/09/19/91/332091991.db2.gz BSAJBYLLUXFAGV-QAPCUYQASA-N 1 0 323.396 4.599 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnc2ccsc2c1 ZINC000090665110 332092195 /nfs/dbraw/zinc/09/21/95/332092195.db2.gz WJCDIJVDPNOMOM-PBHICJAKSA-N 1 0 321.449 4.992 20 30 DJEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665205 332092253 /nfs/dbraw/zinc/09/22/53/332092253.db2.gz TXUVHGSUKQTJFB-UZLBHIALSA-N 1 0 308.425 4.781 20 30 DJEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1CCC(C(C)(C)C)CC1 ZINC000410342526 332113109 /nfs/dbraw/zinc/11/31/09/332113109.db2.gz KWRSIRRIMOARND-UHFFFAOYSA-N 1 0 320.521 4.624 20 30 DJEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2CC2CCCCC2)CCOCC1 ZINC000410342111 332113251 /nfs/dbraw/zinc/11/32/51/332113251.db2.gz ZVLCQQJGDUVAQF-IBGZPJMESA-N 1 0 318.505 4.522 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1csc3ccccc13)CC2 ZINC000584261528 332173926 /nfs/dbraw/zinc/17/39/26/332173926.db2.gz IIAMALJSPXDZHC-IBGZPJMESA-N 1 0 318.445 4.593 20 30 DJEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000237655741 332383250 /nfs/dbraw/zinc/38/32/50/332383250.db2.gz BGGDUHLJFMYHBI-UHFFFAOYSA-N 1 0 304.846 4.852 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000561139929 332416227 /nfs/dbraw/zinc/41/62/27/332416227.db2.gz HUSWCEHDHFUWDO-DJJJIMSYSA-N 1 0 310.828 4.940 20 30 DJEDRO C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)S1 ZINC000562469139 332595851 /nfs/dbraw/zinc/59/58/51/332595851.db2.gz NRYGZQCNLAKJMY-HZPDHXFCSA-N 1 0 322.477 4.551 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccco1 ZINC000570189403 332722737 /nfs/dbraw/zinc/72/27/37/332722737.db2.gz QTCGTCMROPKACC-SFHVURJKSA-N 1 0 311.425 4.866 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(C#N)cc1Cl ZINC000570235635 332728865 /nfs/dbraw/zinc/72/88/65/332728865.db2.gz LIOBDEUFTHICLX-NWDGAFQWSA-N 1 0 304.846 4.555 20 30 DJEDRO COc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)ccc1C#N ZINC000570322630 332738993 /nfs/dbraw/zinc/73/89/93/332738993.db2.gz FGSRHVVLGCSFCC-OAHLLOKOSA-N 1 0 316.404 4.571 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000174808867 333091035 /nfs/dbraw/zinc/09/10/35/333091035.db2.gz PNOBKIQYQBWPOT-HNNXBMFYSA-N 1 0 313.470 4.763 20 30 DJEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(OCc2ccccc2)cc1 ZINC000178640151 333141721 /nfs/dbraw/zinc/14/17/21/333141721.db2.gz PWEHZBPGBISAIP-QGZVFWFLSA-N 1 0 308.425 4.610 20 30 DJEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000178643116 333141734 /nfs/dbraw/zinc/14/17/34/333141734.db2.gz YFDUUBDBCPDBDD-MRXNPFEDSA-N 1 0 308.425 4.707 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(OCc2ccccc2)cc1 ZINC000178640137 333141740 /nfs/dbraw/zinc/14/17/40/333141740.db2.gz PWEHZBPGBISAIP-KRWDZBQOSA-N 1 0 308.425 4.610 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541086 333162893 /nfs/dbraw/zinc/16/28/93/333162893.db2.gz HDXQMASGJWAJAX-VWKPWSFCSA-N 1 0 320.436 4.878 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180541049 333162963 /nfs/dbraw/zinc/16/29/63/333162963.db2.gz HDXQMASGJWAJAX-XFQAVAEZSA-N 1 0 320.436 4.878 20 30 DJEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)c2ccccc21 ZINC000184923923 333202709 /nfs/dbraw/zinc/20/27/09/333202709.db2.gz LNHFRGWQYSBNNE-KBPBESRZSA-N 1 0 311.816 4.587 20 30 DJEDRO N#CCC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000430736694 335128130 /nfs/dbraw/zinc/12/81/30/335128130.db2.gz FKYYKBRBPZOWGU-FQEVSTJZSA-N 1 0 304.437 4.644 20 30 DJEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(OC(F)(F)F)cc1 ZINC000182509419 335128229 /nfs/dbraw/zinc/12/82/29/335128229.db2.gz LTWCMGWJCJRYPS-LBPRGKRZSA-N 1 0 314.351 4.566 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)ccc1C#N ZINC000488130037 333362645 /nfs/dbraw/zinc/36/26/45/333362645.db2.gz RURLCZDGMJEEFB-LBPRGKRZSA-N 1 0 302.780 4.510 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000319738125 333401539 /nfs/dbraw/zinc/40/15/39/333401539.db2.gz HRJMPPWQVAQFNQ-IBGZPJMESA-N 1 0 311.425 4.501 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1cccc(O)c1Cl)c1ccccc1 ZINC000339407754 333523414 /nfs/dbraw/zinc/52/34/14/333523414.db2.gz MPBSYVRFTYQJRO-INIZCTEOSA-N 1 0 314.816 4.570 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000571129180 333666539 /nfs/dbraw/zinc/66/65/39/333666539.db2.gz GQLLBSPCNVNGAR-WOJBJXKFSA-N 1 0 308.400 4.672 20 30 DJEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1csc(-c2ccccc2F)n1 ZINC000414173677 333908225 /nfs/dbraw/zinc/90/82/25/333908225.db2.gz XBWNBCPOOLTMGP-GFCCVEGCSA-N 1 0 317.433 4.540 20 30 DJEDRO N#CCOc1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000271817129 334027136 /nfs/dbraw/zinc/02/71/36/334027136.db2.gz BRGKLWSHMBUXSM-OAQYLSRUSA-N 1 0 320.436 4.610 20 30 DJEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000451899990 334030546 /nfs/dbraw/zinc/03/05/46/334030546.db2.gz JKJMZDLWLLMNJQ-UHFFFAOYSA-N 1 0 321.553 4.539 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274629040 334064394 /nfs/dbraw/zinc/06/43/94/334064394.db2.gz OMLMQHMZOWETFJ-TXPKVOOTSA-N 1 0 320.436 4.705 20 30 DJEDRO CSCCCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000274812266 334066671 /nfs/dbraw/zinc/06/66/71/334066671.db2.gz VJBKVMJUHQIOMN-UHFFFAOYSA-N 1 0 316.514 4.513 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000279005261 334104616 /nfs/dbraw/zinc/10/46/16/334104616.db2.gz UIBJRMGPYRZNFF-JTQLQIEISA-N 1 0 319.396 4.533 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000340430889 334199212 /nfs/dbraw/zinc/19/92/12/334199212.db2.gz HZIBBCHFGZUBGN-WOJBJXKFSA-N 1 0 320.436 4.794 20 30 DJEDRO COc1ccccc1C[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340445567 334203277 /nfs/dbraw/zinc/20/32/77/334203277.db2.gz FILPLAALLTVNCG-PXNSSMCTSA-N 1 0 322.452 4.651 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445978 334203502 /nfs/dbraw/zinc/20/35/02/334203502.db2.gz MLFNHMZNYVZXKZ-HNAYVOBHSA-N 1 0 323.396 4.681 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000340451090 334205587 /nfs/dbraw/zinc/20/55/87/334205587.db2.gz ZRNPTFYOSYTINX-OFLPRAFFSA-N 1 0 306.400 4.835 20 30 DJEDRO COc1ccsc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340451824 334205945 /nfs/dbraw/zinc/20/59/45/334205945.db2.gz OYLBKPXEUMHJBN-GOEBONIOSA-N 1 0 314.454 4.842 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340454925 334207260 /nfs/dbraw/zinc/20/72/60/334207260.db2.gz TUYATOQSSNYZTI-UZLBHIALSA-N 1 0 308.425 4.781 20 30 DJEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000296522828 334234738 /nfs/dbraw/zinc/23/47/38/334234738.db2.gz QAOPZHBEFGHHLJ-ZOBUZTSGSA-N 1 0 318.848 4.551 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000443006274 338441783 /nfs/dbraw/zinc/44/17/83/338441783.db2.gz IBLFCHOFHGQPAE-OAHLLOKOSA-N 1 0 307.393 4.848 20 30 DJEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(OC)cc1 ZINC000531951131 334309178 /nfs/dbraw/zinc/30/91/78/334309178.db2.gz AKORUZJWAQFLBJ-YWZLYKJASA-N 1 0 308.425 4.759 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341711657 334472993 /nfs/dbraw/zinc/47/29/93/334472993.db2.gz PHITWCBBZREDEA-UXHICEINSA-N 1 0 308.400 4.816 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)cc1 ZINC000341759117 334477656 /nfs/dbraw/zinc/47/76/56/334477656.db2.gz DMTCTBIONMIAKK-RTWAWAEBSA-N 1 0 304.437 4.985 20 30 DJEDRO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341762967 334478499 /nfs/dbraw/zinc/47/84/99/334478499.db2.gz WLMOCSCOEOAAKJ-HXUWFJFHSA-N 1 0 320.436 4.513 20 30 DJEDRO CC(C)C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000341878900 334489057 /nfs/dbraw/zinc/48/90/57/334489057.db2.gz SQALGTHIZVRNHM-TZIWHRDSSA-N 1 0 319.452 4.708 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(F)cc(F)c1 ZINC000417376896 334765550 /nfs/dbraw/zinc/76/55/50/334765550.db2.gz CQGXEOWGNSIHNJ-HXPMCKFVSA-N 1 0 312.363 4.565 20 30 DJEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000532570563 336255893 /nfs/dbraw/zinc/25/58/93/336255893.db2.gz AUPKTGHNGTXFON-CYBMUJFWSA-N 1 0 305.447 4.537 20 30 DJEDRO CCCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000324825633 336260897 /nfs/dbraw/zinc/26/08/97/336260897.db2.gz AUOUKNTZTRDDDI-KRWDZBQOSA-N 1 0 322.452 4.978 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1[nH]ncc1C)c1ccc(C(F)(F)F)cc1 ZINC000352829237 336267268 /nfs/dbraw/zinc/26/72/68/336267268.db2.gz FYDAKOODLRWHLG-OAHLLOKOSA-N 1 0 323.362 4.534 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cc2ccccc2s1 ZINC000526944810 336276029 /nfs/dbraw/zinc/27/60/29/336276029.db2.gz CHCGVRPSBQTVBJ-LBPRGKRZSA-N 1 0 310.397 4.763 20 30 DJEDRO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c2cc(F)ccc2[nH+]1 ZINC000301642670 336320195 /nfs/dbraw/zinc/32/01/95/336320195.db2.gz BVLWJHRISXOQHF-CYBMUJFWSA-N 1 0 305.356 4.727 20 30 DJEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000514105919 336357825 /nfs/dbraw/zinc/35/78/25/336357825.db2.gz UNGZPNUFQJYCPG-HXUWFJFHSA-N 1 0 324.468 4.541 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000034992584 336385022 /nfs/dbraw/zinc/38/50/22/336385022.db2.gz IUNFYHBERCCYNB-CQSZACIVSA-N 1 0 301.817 4.756 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000353280085 336409819 /nfs/dbraw/zinc/40/98/19/336409819.db2.gz ZTEUEBDNWMURDT-RTBURBONSA-N 1 0 312.363 4.565 20 30 DJEDRO COc1ccc(C)cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353903035 336447131 /nfs/dbraw/zinc/44/71/31/336447131.db2.gz VGPXUNWCYFTKRG-IBGZPJMESA-N 1 0 308.425 4.528 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000353910824 336447302 /nfs/dbraw/zinc/44/73/02/336447302.db2.gz AFGDDQDWJYTZDV-HXUWFJFHSA-N 1 0 324.493 4.945 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000353911424 336447523 /nfs/dbraw/zinc/44/75/23/336447523.db2.gz BYYDVZCKYXXFHC-INIZCTEOSA-N 1 0 304.846 4.926 20 30 DJEDRO CC(C)Oc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000353913224 336447732 /nfs/dbraw/zinc/44/77/32/336447732.db2.gz HVFVJXSPLFDZQS-OAQYLSRUSA-N 1 0 322.452 4.999 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000353914696 336447817 /nfs/dbraw/zinc/44/78/17/336447817.db2.gz LDFRPPKRHISQMC-SFHVURJKSA-N 1 0 318.342 4.629 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1 ZINC000359700336 336684108 /nfs/dbraw/zinc/68/41/08/336684108.db2.gz NVBYRXHQMJJSNQ-FQEVSTJZSA-N 1 0 317.436 4.669 20 30 DJEDRO N#CC1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418144723 336896802 /nfs/dbraw/zinc/89/68/02/336896802.db2.gz UZLKSCUQPCWMIO-ZBFHGGJFSA-N 1 0 322.374 4.625 20 30 DJEDRO N#CC1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000418144722 336896812 /nfs/dbraw/zinc/89/68/12/336896812.db2.gz UZLKSCUQPCWMIO-HOCLYGCPSA-N 1 0 322.374 4.625 20 30 DJEDRO CSc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418145247 336896824 /nfs/dbraw/zinc/89/68/24/336896824.db2.gz MTCDMRUODIGXGL-MRXNPFEDSA-N 1 0 314.479 4.509 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000582443393 337001088 /nfs/dbraw/zinc/00/10/88/337001088.db2.gz LUWJUJWVUJYBSM-UHFFFAOYSA-N 1 0 320.864 4.548 20 30 DJEDRO C=CCCCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376559763 337036912 /nfs/dbraw/zinc/03/69/12/337036912.db2.gz ZCPCSRXMNHGLOP-INIZCTEOSA-N 1 0 303.450 4.611 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-c2cccnc2)cc1 ZINC000176981436 337153962 /nfs/dbraw/zinc/15/39/62/337153962.db2.gz DGRUMNMIUVUMJR-AWEZNQCLSA-N 1 0 319.433 4.533 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cc(OC)ncc1F)c1ccccc1 ZINC000582864145 337209097 /nfs/dbraw/zinc/20/90/97/337209097.db2.gz XOIXKCHXGJPAEL-RDTXWAMCSA-N 1 0 314.404 4.587 20 30 DJEDRO CCC(CC)[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)CCO1 ZINC000583243392 337285402 /nfs/dbraw/zinc/28/54/02/337285402.db2.gz UAQDELWMRCMJEH-HSALFYBXSA-N 1 0 314.473 4.583 20 30 DJEDRO CC(C)c1ccc(CC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000583825137 337337248 /nfs/dbraw/zinc/33/72/48/337337248.db2.gz DRGICLXIAVHARB-FPOVZHCZSA-N 1 0 310.485 4.757 20 30 DJEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000584569788 337363594 /nfs/dbraw/zinc/36/35/94/337363594.db2.gz UHZBVOUTISORQQ-VQTJNVASSA-N 1 0 320.436 4.685 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)c1 ZINC000421380690 337529235 /nfs/dbraw/zinc/52/92/35/337529235.db2.gz ZCXKDZQAIBBNKG-SFHVURJKSA-N 1 0 317.379 4.738 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000269002510 337634990 /nfs/dbraw/zinc/63/49/90/337634990.db2.gz VFOGIPGSLUMNBJ-OLZOCXBDSA-N 1 0 316.351 4.571 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000424333472 337822363 /nfs/dbraw/zinc/82/23/63/337822363.db2.gz UIDHARHBOCLVDA-MAZHCROVSA-N 1 0 310.363 4.684 20 30 DJEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000537058992 337883149 /nfs/dbraw/zinc/88/31/49/337883149.db2.gz IQMMBUCULISWRJ-HXUWFJFHSA-N 1 0 310.416 4.883 20 30 DJEDRO C=CCC[NH2+][C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000537051514 337884427 /nfs/dbraw/zinc/88/44/27/337884427.db2.gz XXOFFXDCQIWVJC-INIZCTEOSA-N 1 0 311.425 4.501 20 30 DJEDRO N#CCCCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000537107587 337892174 /nfs/dbraw/zinc/89/21/74/337892174.db2.gz HREUDOJNRYIOKN-IBGZPJMESA-N 1 0 312.844 4.907 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000514741914 337969869 /nfs/dbraw/zinc/96/98/69/337969869.db2.gz VXBFXHNYUINQEV-BZUAXINKSA-N 1 0 310.363 4.623 20 30 DJEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000426391570 338030176 /nfs/dbraw/zinc/03/01/76/338030176.db2.gz RHFBOWBAXVNTCH-INIZCTEOSA-N 1 0 301.842 4.590 20 30 DJEDRO N#Cc1c(F)cccc1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000428395179 338050008 /nfs/dbraw/zinc/05/00/08/338050008.db2.gz YRLRMLZLIHXUSH-UHFFFAOYSA-N 1 0 308.400 4.647 20 30 DJEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000428440180 338051509 /nfs/dbraw/zinc/05/15/09/338051509.db2.gz RVOWCPVQMLEBJE-QWHCGFSZSA-N 1 0 304.434 4.640 20 30 DJEDRO CCn1c2ccccc2c2cc(C[NH2+]CC3(CC#N)CC3)ccc21 ZINC000430006789 338093270 /nfs/dbraw/zinc/09/32/70/338093270.db2.gz QEOQHMINIOMDKN-UHFFFAOYSA-N 1 0 317.436 4.598 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(OCc2ccccc2)c1 ZINC000430749003 338113453 /nfs/dbraw/zinc/11/34/53/338113453.db2.gz HISDVYRKPFFHMQ-KRWDZBQOSA-N 1 0 320.436 4.610 20 30 DJEDRO Cc1ccc(C)c(C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000432893002 338172091 /nfs/dbraw/zinc/17/20/91/338172091.db2.gz XNAPLMMMJMVAMB-UHFFFAOYSA-N 1 0 322.452 4.618 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccccc1 ZINC000433027265 338177017 /nfs/dbraw/zinc/17/70/17/338177017.db2.gz KBSXRHFAFABGND-HXUWFJFHSA-N 1 0 310.416 4.783 20 30 DJEDRO Cc1ccccc1OCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433034397 338177439 /nfs/dbraw/zinc/17/74/39/338177439.db2.gz SDHOWEAOCVNMFK-HXUWFJFHSA-N 1 0 322.452 4.789 20 30 DJEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000435663483 338244502 /nfs/dbraw/zinc/24/45/02/338244502.db2.gz OPJRTFROWDRMIE-OMWUSAIZSA-N 1 0 310.828 4.808 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000435666618 338244641 /nfs/dbraw/zinc/24/46/41/338244641.db2.gz ABTSGEFLDOOEPW-KFNAQCHYSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000436293850 338266788 /nfs/dbraw/zinc/26/67/88/338266788.db2.gz DWCFSJHBBFQCMY-NUTKFTJISA-N 1 0 311.828 4.501 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000436293836 338266905 /nfs/dbraw/zinc/26/69/05/338266905.db2.gz DWCFSJHBBFQCMY-MJEQTWJJSA-N 1 0 311.828 4.501 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000436296059 338267134 /nfs/dbraw/zinc/26/71/34/338267134.db2.gz QWRAMFJYUOMREH-VCBZYWHSSA-N 1 0 313.441 4.627 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000436313747 338268677 /nfs/dbraw/zinc/26/86/77/338268677.db2.gz XMCBPJKOVPFWQH-OZVIIMIRSA-N 1 0 314.256 4.625 20 30 DJEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)c1ccc(C#N)cc1 ZINC000439556786 338372958 /nfs/dbraw/zinc/37/29/58/338372958.db2.gz HQYSYXUUWMOGQM-QGZVFWFLSA-N 1 0 304.437 4.721 20 30 DJEDRO COc1cc(C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)ccc1C#N ZINC000440608713 338392229 /nfs/dbraw/zinc/39/22/29/338392229.db2.gz FGUWSDJFWNLLIY-FQEVSTJZSA-N 1 0 322.452 4.752 20 30 DJEDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1CCC(C#N)CC1 ZINC000441378133 338411094 /nfs/dbraw/zinc/41/10/94/338411094.db2.gz CUFNQQSUXIEEHA-GXDHUFHOSA-N 1 0 302.849 4.663 20 30 DJEDRO COc1cc(C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)ccc1C#N ZINC000441384429 338411304 /nfs/dbraw/zinc/41/13/04/338411304.db2.gz YBCDFEGSQXJQET-WOJBJXKFSA-N 1 0 320.436 4.541 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000442085563 338420882 /nfs/dbraw/zinc/42/08/82/338420882.db2.gz OBGVXRRRWHZCOX-PNESKVBLSA-N 1 0 311.256 4.974 20 30 DJEDRO COc1ccc2cc([C@@H](C)[NH2+]CC3CCC(C#N)CC3)ccc2c1 ZINC000442104890 338421378 /nfs/dbraw/zinc/42/13/78/338421378.db2.gz WFAVQVDHRIEGKO-KLAILNCOSA-N 1 0 322.452 4.829 20 30 DJEDRO COc1ccc2cc([C@H](C)[NH2+]CC3CCC(C#N)CC3)ccc2c1 ZINC000442104889 338421385 /nfs/dbraw/zinc/42/13/85/338421385.db2.gz WFAVQVDHRIEGKO-GTPINHCMSA-N 1 0 322.452 4.829 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000442781031 338430833 /nfs/dbraw/zinc/43/08/33/338430833.db2.gz NRSLHUHGZQJVLG-WCQYABFASA-N 1 0 311.256 4.553 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000442862731 338435767 /nfs/dbraw/zinc/43/57/67/338435767.db2.gz AWIHPEPPIDFQRW-MYKUNDNFSA-N 1 0 322.427 4.835 20 30 DJEDRO CC(C)COc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442863793 338435821 /nfs/dbraw/zinc/43/58/21/338435821.db2.gz ARAUBERMBAHAHA-AOCRQIFASA-N 1 0 314.473 4.702 20 30 DJEDRO CC(C)COc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442863794 338435844 /nfs/dbraw/zinc/43/58/44/338435844.db2.gz ARAUBERMBAHAHA-WWDZGPRUSA-N 1 0 314.473 4.702 20 30 DJEDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCS2 ZINC000442866658 338436115 /nfs/dbraw/zinc/43/61/15/338436115.db2.gz JBWUORONYOPOQC-HTWSVDAQSA-N 1 0 314.498 4.760 20 30 DJEDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000442867380 338436287 /nfs/dbraw/zinc/43/62/87/338436287.db2.gz LDVHJLVCOYGVKE-OLZOCXBDSA-N 1 0 314.429 4.831 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-c2ccncc2)cc1 ZINC000442873697 338436968 /nfs/dbraw/zinc/43/69/68/338436968.db2.gz LBQPFYFLNNPMOS-WWDZGPRUSA-N 1 0 319.452 4.729 20 30 DJEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCC(C(F)(F)F)CC1 ZINC000442874468 338437127 /nfs/dbraw/zinc/43/71/27/338437127.db2.gz NFOCSUMKTZSOCX-DYCFOQDWSA-N 1 0 316.411 4.663 20 30 DJEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1Cl ZINC000442878863 338437595 /nfs/dbraw/zinc/43/75/95/338437595.db2.gz VLXVTEAYJJXJGB-HIFPTAJRSA-N 1 0 311.256 4.974 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000447509614 338553201 /nfs/dbraw/zinc/55/32/01/338553201.db2.gz GHGXTCQVCYBMFG-QGZVFWFLSA-N 1 0 318.342 4.818 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccccc1OCC(C)C)c1ccc(C#N)cc1 ZINC000447538033 338555149 /nfs/dbraw/zinc/55/51/49/338555149.db2.gz AKAZHWMLDBHUSX-HXUWFJFHSA-N 1 0 322.452 4.834 20 30 DJEDRO CC[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000447540138 338555522 /nfs/dbraw/zinc/55/55/22/338555522.db2.gz IJXBXUIVTVDSQX-OAQYLSRUSA-N 1 0 300.405 4.952 20 30 DJEDRO CC[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000447580323 338558665 /nfs/dbraw/zinc/55/86/65/338558665.db2.gz NVZKSXIVQIMBHG-GOSISDBHSA-N 1 0 310.828 4.942 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000447584431 338559233 /nfs/dbraw/zinc/55/92/33/338559233.db2.gz GAIXWPZZCMQNMJ-BBRMVZONSA-N 1 0 322.374 4.757 20 30 DJEDRO CSCC1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000449202222 338601982 /nfs/dbraw/zinc/60/19/82/338601982.db2.gz JOJNNTCNEWHTIF-VJFUWPCTSA-N 1 0 302.487 4.543 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000449227441 338604461 /nfs/dbraw/zinc/60/44/61/338604461.db2.gz PJDFMUCCVIFSTH-HDYDNRTBSA-N 1 0 312.432 4.824 20 30 DJEDRO Cc1ccc(SC[C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449253084 338607207 /nfs/dbraw/zinc/60/72/07/338607207.db2.gz XGQGZHMOPOCFPR-HJOIGYKYSA-N 1 0 302.487 4.538 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449330421 338613680 /nfs/dbraw/zinc/61/36/80/338613680.db2.gz LCSJBXFUUJWEIE-RDJZCZTQSA-N 1 0 304.865 4.896 20 30 DJEDRO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444911 338624608 /nfs/dbraw/zinc/62/46/08/338624608.db2.gz FCPRMDWEFGQIAA-JXFKEZNVSA-N 1 0 320.436 4.534 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449446078 338624757 /nfs/dbraw/zinc/62/47/57/338624757.db2.gz NZDHNOWDTRNVOW-QXRTWZOPSA-N 1 0 302.849 4.648 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449445876 338624802 /nfs/dbraw/zinc/62/48/02/338624802.db2.gz MMOFXAFOFZDXNT-JBACZVJFSA-N 1 0 304.437 4.642 20 30 DJEDRO C=CCC1([NH2+]Cc2csc(-c3ccccn3)n2)CCCCC1 ZINC000449578015 338639666 /nfs/dbraw/zinc/63/96/66/338639666.db2.gz YRNRKGBJYOWHOZ-UHFFFAOYSA-N 1 0 313.470 4.574 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451295408 338728693 /nfs/dbraw/zinc/72/86/93/338728693.db2.gz JOEFSVXTQHUSGX-KBPBESRZSA-N 1 0 304.400 4.807 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000453182840 338803871 /nfs/dbraw/zinc/80/38/71/338803871.db2.gz XTLTWFXHQDUVIS-MLGOLLRUSA-N 1 0 323.362 4.787 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc2)cc1 ZINC000453289963 338819380 /nfs/dbraw/zinc/81/93/80/338819380.db2.gz KEWKMTARLTZPGP-DZFGPLHGSA-N 1 0 304.437 4.756 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000453290237 338819402 /nfs/dbraw/zinc/81/94/02/338819402.db2.gz RCIJNWQFVVHFAZ-RCBQFDQVSA-N 1 0 310.363 4.720 20 30 DJEDRO CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453391978 338836819 /nfs/dbraw/zinc/83/68/19/338836819.db2.gz TWHSUTALBGUDAK-CYBMUJFWSA-N 1 0 314.429 4.660 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000195614529 338910249 /nfs/dbraw/zinc/91/02/49/338910249.db2.gz PCKCOAIRWLITCQ-RDTXWAMCSA-N 1 0 308.425 4.824 20 30 DJEDRO C=C(C)CN1CCC([NH2+]C2CCC(C(C)(C)CC)CC2)CC1 ZINC000462740995 339086304 /nfs/dbraw/zinc/08/63/04/339086304.db2.gz CZOFCJSQIBNURQ-UHFFFAOYSA-N 1 0 306.538 4.612 20 30 DJEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805807 339090082 /nfs/dbraw/zinc/09/00/82/339090082.db2.gz IOKWCFSFBSZGLC-OLZOCXBDSA-N 1 0 304.434 4.955 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000463240031 339111235 /nfs/dbraw/zinc/11/12/35/339111235.db2.gz HPEXBXSSDXQMMU-RXVVDRJESA-N 1 0 304.437 4.568 20 30 DJEDRO CC([NH2+][C@H]1CCC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245442 339111729 /nfs/dbraw/zinc/11/17/29/339111729.db2.gz CHBVPGVTTYQQLH-PXNSSMCTSA-N 1 0 304.437 4.622 20 30 DJEDRO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463246651 339111851 /nfs/dbraw/zinc/11/18/51/339111851.db2.gz RTZATEXYNKKOLA-JKIFEVAISA-N 1 0 324.390 4.871 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463288132 339113562 /nfs/dbraw/zinc/11/35/62/339113562.db2.gz LTQGTXQRZBULSQ-LALPHHSUSA-N 1 0 311.256 4.596 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+]CCSCc2cccc3ccccc32)C1 ZINC000463290921 339113653 /nfs/dbraw/zinc/11/36/53/339113653.db2.gz LUGVTNMZBMNGAQ-LPHOPBHVSA-N 1 0 324.493 4.745 20 30 DJEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)c1c(Cl)cccc1Cl ZINC000463303226 339114175 /nfs/dbraw/zinc/11/41/75/339114175.db2.gz QMDMAARNVKSYPN-AGIUHOORSA-N 1 0 311.256 4.769 20 30 DJEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463435825 339117757 /nfs/dbraw/zinc/11/77/57/339117757.db2.gz UTDCRLJWNFQJDP-KGLIPLIRSA-N 1 0 304.400 4.759 20 30 DJEDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467404589 339236783 /nfs/dbraw/zinc/23/67/83/339236783.db2.gz KWXGZNNDZCOCLB-STQMWFEESA-N 1 0 314.429 4.831 20 30 DJEDRO CSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467404586 339236799 /nfs/dbraw/zinc/23/67/99/339236799.db2.gz KWXGZNNDZCOCLB-QWHCGFSZSA-N 1 0 314.429 4.831 20 30 DJEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000467409884 339236936 /nfs/dbraw/zinc/23/69/36/339236936.db2.gz BHBFTCWYMCNCCY-GXTWGEPZSA-N 1 0 301.352 4.633 20 30 DJEDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000467409964 339237056 /nfs/dbraw/zinc/23/70/56/339237056.db2.gz CAGJQTYRVNVYSA-ZTFGCOKTSA-N 1 0 308.400 4.603 20 30 DJEDRO Cc1ccc2cc([C@H](C)[NH2+]CCc3cccc(C#N)c3)oc2c1 ZINC000467447964 339239331 /nfs/dbraw/zinc/23/93/31/339239331.db2.gz VOFNCOYEGUSUTQ-HNNXBMFYSA-N 1 0 304.393 4.506 20 30 DJEDRO Cc1cc2c(cc1C)[C@H]([NH2+]CCc1cccc(C#N)c1)CCS2 ZINC000467454411 339239590 /nfs/dbraw/zinc/23/95/90/339239590.db2.gz PHWMOLHDSRMEPN-LJQANCHMSA-N 1 0 322.477 4.544 20 30 DJEDRO CC(C)(C)C[N@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000468409774 339262240 /nfs/dbraw/zinc/26/22/40/339262240.db2.gz VOYMVILSMYTXDM-UHFFFAOYSA-N 1 0 304.400 4.617 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000468476281 339263759 /nfs/dbraw/zinc/26/37/59/339263759.db2.gz SBTLPHXCZLXPSG-DVOMOZLQSA-N 1 0 311.256 4.911 20 30 DJEDRO Cc1cccc(C([NH2+][C@H]2CC[C@H](C#N)C2)c2cccc(C)c2)c1 ZINC000471597779 339348834 /nfs/dbraw/zinc/34/88/34/339348834.db2.gz HGYUOQLEMSHBFC-PXNSSMCTSA-N 1 0 304.437 4.675 20 30 DJEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000471599457 339348943 /nfs/dbraw/zinc/34/89/43/339348943.db2.gz SJDVKEZYCUEKHL-LXZKKBNFSA-N 1 0 320.864 4.718 20 30 DJEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000471599970 339348968 /nfs/dbraw/zinc/34/89/68/339348968.db2.gz XXGFQBBTWBCLIP-INIZCTEOSA-N 1 0 317.477 4.567 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000471611828 339349469 /nfs/dbraw/zinc/34/94/69/339349469.db2.gz RKHIBOGBCYEGGW-NILFDRSVSA-N 1 0 311.256 4.596 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000471718124 339352240 /nfs/dbraw/zinc/35/22/40/339352240.db2.gz TVFHMUVVAVLWBV-FQEVSTJZSA-N 1 0 306.453 4.890 20 30 DJEDRO CC(C)(CF)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000472157815 339364704 /nfs/dbraw/zinc/36/47/04/339364704.db2.gz MWWGKQPIHVIZHI-UHFFFAOYSA-N 1 0 317.248 4.562 20 30 DJEDRO CCOc1ccccc1C1=CC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000472242886 339367370 /nfs/dbraw/zinc/36/73/70/339367370.db2.gz TYXWASPYMSJORI-UHFFFAOYSA-N 1 0 312.457 4.504 20 30 DJEDRO CC(C)(C#N)CCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000472443084 339371831 /nfs/dbraw/zinc/37/18/31/339371831.db2.gz QZWYXGOCMPDCSM-UHFFFAOYSA-N 1 0 311.256 4.902 20 30 DJEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000474878920 339429573 /nfs/dbraw/zinc/42/95/73/339429573.db2.gz AWNKPEZVRGYNRN-JYJNAYRXSA-N 1 0 305.462 4.530 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1cc(F)ccc1C)c1ccc(F)c(F)c1 ZINC000479400768 339533264 /nfs/dbraw/zinc/53/32/64/339533264.db2.gz ZZWZAUHLZXIJRT-GOSISDBHSA-N 1 0 305.343 4.819 20 30 DJEDRO C=C(C)[C@H]([NH2+]C[C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417807 339534062 /nfs/dbraw/zinc/53/40/62/339534062.db2.gz GFODBTOPUOSACV-LIRRHRJNSA-N 1 0 323.427 4.624 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000479485844 339537665 /nfs/dbraw/zinc/53/76/65/339537665.db2.gz DXJMDEVMKZBMNF-DCPHZVHLSA-N 1 0 308.400 4.684 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000480681900 339583154 /nfs/dbraw/zinc/58/31/54/339583154.db2.gz NKDYCKVVXNPFFX-DJJJIMSYSA-N 1 0 317.379 4.941 20 30 DJEDRO C[C@]1([NH2+]Cc2ccc(Cl)cc2C#N)CCCc2ccccc21 ZINC000480744536 339585478 /nfs/dbraw/zinc/58/54/78/339585478.db2.gz YKYMVEDCQVYMFZ-IBGZPJMESA-N 1 0 310.828 4.553 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000481649518 339608753 /nfs/dbraw/zinc/60/87/53/339608753.db2.gz FUDLGOKLAXDXSZ-RTWAWAEBSA-N 1 0 320.411 4.742 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000481720804 339611052 /nfs/dbraw/zinc/61/10/52/339611052.db2.gz UMPGVQPUOHIRER-WBAXXEDZSA-N 1 0 308.400 4.684 20 30 DJEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000482623068 339637675 /nfs/dbraw/zinc/63/76/75/339637675.db2.gz YFKAUARCHWISFV-SFHVURJKSA-N 1 0 320.480 4.655 20 30 DJEDRO C=CCCC[C@@H](C)[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482897098 339646424 /nfs/dbraw/zinc/64/64/24/339646424.db2.gz MKRNAKZTMSMQRU-MRXNPFEDSA-N 1 0 311.473 4.726 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000484059338 339680318 /nfs/dbraw/zinc/68/03/18/339680318.db2.gz PPOZYACNMMCNOR-IBGZPJMESA-N 1 0 310.416 4.883 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000484087056 339680765 /nfs/dbraw/zinc/68/07/65/339680765.db2.gz YPPFILNREMTMTC-SFHVURJKSA-N 1 0 314.379 4.713 20 30 DJEDRO Cc1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)ccc1C#N ZINC000488101883 339770454 /nfs/dbraw/zinc/77/04/54/339770454.db2.gz OVFHYSBQZSDICU-KRWDZBQOSA-N 1 0 318.342 4.650 20 30 DJEDRO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000498798667 340023416 /nfs/dbraw/zinc/02/34/16/340023416.db2.gz ZBRHGXZBBZNWIO-LBPRGKRZSA-N 1 0 302.780 4.544 20 30 DJEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000499961324 340047723 /nfs/dbraw/zinc/04/77/23/340047723.db2.gz IYULSXXVOGECSU-MDMXATFFSA-N 1 0 304.437 4.741 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000500027644 340048908 /nfs/dbraw/zinc/04/89/08/340048908.db2.gz JGVWEFQEQALOEZ-UHFFFAOYSA-N 1 0 324.855 4.834 20 30 DJEDRO C=C(C[NH2+]Cc1csc(-c2ccc(C)cc2)n1)c1ccccc1 ZINC000500113825 340050423 /nfs/dbraw/zinc/05/04/23/340050423.db2.gz QECNATZQSDTSDR-UHFFFAOYSA-N 1 0 320.461 4.922 20 30 DJEDRO Cc1cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N ZINC000500431483 340058438 /nfs/dbraw/zinc/05/84/38/340058438.db2.gz XTWOXBJOWLABQT-IFXJQAMLSA-N 1 0 310.828 4.545 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000502561148 340107888 /nfs/dbraw/zinc/10/78/88/340107888.db2.gz BBSLFKKHIUJRQJ-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000503858034 340135261 /nfs/dbraw/zinc/13/52/61/340135261.db2.gz KKVXGNDZLYWOQC-BFUOFWGJSA-N 1 0 314.379 4.884 20 30 DJEDRO Cc1ccc(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000505121633 340162069 /nfs/dbraw/zinc/16/20/69/340162069.db2.gz ZWBKTFKUKAXJED-UHFFFAOYSA-N 1 0 316.404 4.759 20 30 DJEDRO N#Cc1csc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000506328078 340192489 /nfs/dbraw/zinc/19/24/89/340192489.db2.gz SQZYSNSCEHFFCS-UHFFFAOYSA-N 1 0 314.841 4.562 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000507255104 340215842 /nfs/dbraw/zinc/21/58/42/340215842.db2.gz YNZZTNGYJBBPNG-CYBMUJFWSA-N 1 0 318.342 4.770 20 30 DJEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000507331981 340217376 /nfs/dbraw/zinc/21/73/76/340217376.db2.gz GYGNUEQCNJTSLN-LLVKDONJSA-N 1 0 324.371 4.832 20 30 DJEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)cc1OC ZINC000507433505 340219386 /nfs/dbraw/zinc/21/93/86/340219386.db2.gz LVWXBQMNBLJMBK-AWEZNQCLSA-N 1 0 317.454 4.515 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000507602511 340226062 /nfs/dbraw/zinc/22/60/62/340226062.db2.gz QQXCGDXXMPMXCF-JXMROGBWSA-N 1 0 316.448 4.694 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000507704871 340228774 /nfs/dbraw/zinc/22/87/74/340228774.db2.gz COMAWJIMISZAQN-UHFFFAOYSA-N 1 0 308.400 4.618 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000507717295 340229389 /nfs/dbraw/zinc/22/93/89/340229389.db2.gz WOTWBXFYABNSQM-UHFFFAOYSA-N 1 0 314.429 4.680 20 30 DJEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000508529762 340245926 /nfs/dbraw/zinc/24/59/26/340245926.db2.gz DCFCVSMBIXJBCD-UHFFFAOYSA-N 1 0 320.436 4.557 20 30 DJEDRO CC[N@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000508617834 340248315 /nfs/dbraw/zinc/24/83/15/340248315.db2.gz ZMSZVTDKDWEKPA-LBPRGKRZSA-N 1 0 322.330 4.753 20 30 DJEDRO C=C(C)CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000508976377 340256666 /nfs/dbraw/zinc/25/66/66/340256666.db2.gz IWQFMKDHPFJTOQ-ZDUSSCGKSA-N 1 0 316.470 4.744 20 30 DJEDRO C=C(C)CC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000509343651 340266710 /nfs/dbraw/zinc/26/67/10/340266710.db2.gz PNBDNXBMKAEKAC-UHFFFAOYSA-N 1 0 304.821 4.627 20 30 DJEDRO C=C(C)CC[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000509366709 340267375 /nfs/dbraw/zinc/26/73/75/340267375.db2.gz PRUNKVZLLLAJIQ-QGZVFWFLSA-N 1 0 311.473 4.763 20 30 DJEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000511762201 340337439 /nfs/dbraw/zinc/33/74/39/340337439.db2.gz KREVMRALDWXKLS-HXUWFJFHSA-N 1 0 302.377 4.642 20 30 DJEDRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000512224476 340352990 /nfs/dbraw/zinc/35/29/90/340352990.db2.gz IQBZOARKXBDJSX-PKOBYXMFSA-N 1 0 314.473 4.675 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000512637113 340370366 /nfs/dbraw/zinc/37/03/66/340370366.db2.gz RNYHFNLEPNZJJO-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1ccc(C#N)cc1 ZINC000512869569 340381710 /nfs/dbraw/zinc/38/17/10/340381710.db2.gz UZROADIUQCZACP-UHFFFAOYSA-N 1 0 319.452 4.859 20 30 DJEDRO CC(C)[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1 ZINC000513018270 340388844 /nfs/dbraw/zinc/38/88/44/340388844.db2.gz XUVXMNVOVSBEPL-KRWDZBQOSA-N 1 0 306.881 4.999 20 30 DJEDRO N#Cc1cccc(C[NH2+]CC2(Sc3ccccc3)CCCC2)c1 ZINC000524688087 340661117 /nfs/dbraw/zinc/66/11/17/340661117.db2.gz XQEYENDHLUTFJA-UHFFFAOYSA-N 1 0 322.477 4.753 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000237797454 340674111 /nfs/dbraw/zinc/67/41/11/340674111.db2.gz NKMIMCGVJQDRRR-LJQANCHMSA-N 1 0 310.828 4.843 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000036991801 340729370 /nfs/dbraw/zinc/72/93/70/340729370.db2.gz CEBDSASUVWPUMX-NWDGAFQWSA-N 1 0 302.780 4.763 20 30 DJEDRO C[C@H]([NH2+]CCc1csc2ccccc12)c1cccc(C#N)c1 ZINC000539499873 340888006 /nfs/dbraw/zinc/88/80/06/340888006.db2.gz MNODOINWRBUJDS-AWEZNQCLSA-N 1 0 306.434 4.666 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000540085668 340914612 /nfs/dbraw/zinc/91/46/12/340914612.db2.gz YAXHXZFZYZPBNM-KRWDZBQOSA-N 1 0 316.420 4.748 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000540608020 340938681 /nfs/dbraw/zinc/93/86/81/340938681.db2.gz WKWOXWPTYQINAF-CHWSQXEVSA-N 1 0 313.388 4.692 20 30 DJEDRO C[C@H]([NH2+]CCCSc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708162 340942562 /nfs/dbraw/zinc/94/25/62/340942562.db2.gz MUTMAKBGCFFFPW-AWEZNQCLSA-N 1 0 314.429 4.530 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1F ZINC000541203998 340961514 /nfs/dbraw/zinc/96/15/14/340961514.db2.gz AKHWXOOLFCHBSI-GOSISDBHSA-N 1 0 314.791 4.592 20 30 DJEDRO CCc1ccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)cc1 ZINC000542281939 341003532 /nfs/dbraw/zinc/00/35/32/341003532.db2.gz JJXWHGYAGBEFKV-OAQYLSRUSA-N 1 0 306.453 4.802 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1F ZINC000542853889 341023732 /nfs/dbraw/zinc/02/37/32/341023732.db2.gz LZPDJXKHHUVAQF-GOSISDBHSA-N 1 0 316.807 4.838 20 30 DJEDRO C=CCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543051482 341029566 /nfs/dbraw/zinc/02/95/66/341029566.db2.gz SNXJFQCBSOSCON-GOSISDBHSA-N 1 0 300.833 4.575 20 30 DJEDRO N#CCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000543238224 341037576 /nfs/dbraw/zinc/03/75/76/341037576.db2.gz IKJYUGOQLSGKIJ-UHFFFAOYSA-N 1 0 309.196 4.647 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543594777 341050036 /nfs/dbraw/zinc/05/00/36/341050036.db2.gz JJHAPJPYWYJQRE-GBESFXJTSA-N 1 0 305.437 4.770 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543594776 341050058 /nfs/dbraw/zinc/05/00/58/341050058.db2.gz JJHAPJPYWYJQRE-FHWLQOOXSA-N 1 0 305.437 4.770 20 30 DJEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCCC#N)c1 ZINC000544125419 341071219 /nfs/dbraw/zinc/07/12/19/341071219.db2.gz IEMWAMNBPICOQB-LEWJYISDSA-N 1 0 320.436 4.530 20 30 DJEDRO N#CCCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000544384898 341079579 /nfs/dbraw/zinc/07/95/79/341079579.db2.gz GOBPWKWEUOBZFY-GOSISDBHSA-N 1 0 316.807 4.656 20 30 DJEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](CCCSCC#N)C1CC1 ZINC000072515140 341088746 /nfs/dbraw/zinc/08/87/46/341088746.db2.gz YSBPGYAPZYUMKD-CYBMUJFWSA-N 1 0 308.878 4.512 20 30 DJEDRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCSCC#N ZINC000074980966 341158587 /nfs/dbraw/zinc/15/85/87/341158587.db2.gz GXQKJBSVNWINCC-LLVKDONJSA-N 1 0 317.285 4.633 20 30 DJEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000546685920 341178659 /nfs/dbraw/zinc/17/86/59/341178659.db2.gz FOXASCBITSQWRK-CHWSQXEVSA-N 1 0 321.873 4.656 20 30 DJEDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000546930913 341187157 /nfs/dbraw/zinc/18/71/57/341187157.db2.gz HYUGKFZVJDLKJB-KRWDZBQOSA-N 1 0 306.453 4.955 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000236818836 341202271 /nfs/dbraw/zinc/20/22/71/341202271.db2.gz RVWUGIDXQHOUDH-UHFFFAOYSA-N 1 0 308.425 4.898 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000236818441 341202300 /nfs/dbraw/zinc/20/23/00/341202300.db2.gz RNGDARXFCZMOMR-NRFANRHFSA-N 1 0 320.480 4.932 20 30 DJEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000076733955 341213244 /nfs/dbraw/zinc/21/32/44/341213244.db2.gz LQVOYHMUPLQAOL-UHFFFAOYSA-N 1 0 322.452 4.580 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc2cc(Cl)ccc2o1 ZINC000076760710 341213687 /nfs/dbraw/zinc/21/36/87/341213687.db2.gz UCYKUGMPHPJTDS-GFCCVEGCSA-N 1 0 310.784 4.809 20 30 DJEDRO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000237659621 341217666 /nfs/dbraw/zinc/21/76/66/341217666.db2.gz DPHGPCYJAWYMNK-UHFFFAOYSA-N 1 0 316.857 4.832 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000135107374 341231084 /nfs/dbraw/zinc/23/10/84/341231084.db2.gz YZAYPLUXDOXCAD-FQEVSTJZSA-N 1 0 306.453 4.975 20 30 DJEDRO C[C@@H]1CC[N@H+](CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000135395491 341238673 /nfs/dbraw/zinc/23/86/73/341238673.db2.gz CENSYJJSNSWARZ-CJNGLKHVSA-N 1 0 310.363 4.782 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)c(Cl)c1 ZINC000135667600 341243552 /nfs/dbraw/zinc/24/35/52/341243552.db2.gz XGVHMYLZIMAEAG-VIFPVBQESA-N 1 0 311.237 4.777 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973421 341250968 /nfs/dbraw/zinc/25/09/68/341250968.db2.gz BYUZEEHXYUNOMJ-OLZOCXBDSA-N 1 0 318.342 4.989 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000136221684 341255095 /nfs/dbraw/zinc/25/50/95/341255095.db2.gz JVAFCZFVGYXSKL-LLVKDONJSA-N 1 0 322.305 4.567 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc2ccccc21 ZINC000136232035 341255434 /nfs/dbraw/zinc/25/54/34/341255434.db2.gz VVMDZWLBVFQNDX-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535960 341296862 /nfs/dbraw/zinc/29/68/62/341296862.db2.gz MUVUCOLQOPJPNF-XYJFISCASA-N 1 0 306.409 4.822 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927606 341306998 /nfs/dbraw/zinc/30/69/98/341306998.db2.gz BRDDCENVGXIKMV-ZMSDIMECSA-N 1 0 324.399 4.961 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccc(C#N)c(F)c1 ZINC000550857020 341324701 /nfs/dbraw/zinc/32/47/01/341324701.db2.gz MFYFVSWQNDBIHM-GFCCVEGCSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@H]([NH2+]Cc1cc2ccccc2s1)c1ccc(C#N)c(F)c1 ZINC000550857025 341324717 /nfs/dbraw/zinc/32/47/17/341324717.db2.gz MFYFVSWQNDBIHM-LBPRGKRZSA-N 1 0 310.397 4.763 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccco1 ZINC000550882425 341325350 /nfs/dbraw/zinc/32/53/50/341325350.db2.gz NJUSQBDYGVRSES-OAHLLOKOSA-N 1 0 324.346 4.533 20 30 DJEDRO C[C@H]([NH2+]CCc1cc2ccccc2s1)c1cccc(C#N)c1 ZINC000550883430 341325439 /nfs/dbraw/zinc/32/54/39/341325439.db2.gz ZMALWVNWIKLBAG-AWEZNQCLSA-N 1 0 306.434 4.666 20 30 DJEDRO CC(C)Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551580921 341346388 /nfs/dbraw/zinc/34/63/88/341346388.db2.gz JERQWQDEJXWIHB-UHFFFAOYSA-N 1 0 304.437 4.536 20 30 DJEDRO Cc1cc(Cl)cc(C)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551835320 341353402 /nfs/dbraw/zinc/35/34/02/341353402.db2.gz QMGNOCCXMZOJDH-UHFFFAOYSA-N 1 0 310.828 4.607 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1ccnc2ccccc12)c1ccccc1 ZINC000552083376 341368061 /nfs/dbraw/zinc/36/80/61/341368061.db2.gz AWOZKVXFQOXPSL-FQEVSTJZSA-N 1 0 315.420 4.760 20 30 DJEDRO C=CCC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000552250811 341381256 /nfs/dbraw/zinc/38/12/56/341381256.db2.gz BOSZOJVVRFUBPW-LJQANCHMSA-N 1 0 316.489 4.674 20 30 DJEDRO C[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000552311975 341385765 /nfs/dbraw/zinc/38/57/65/341385765.db2.gz KNOBEBUSEANXKJ-OXJNMPFZSA-N 1 0 310.416 4.954 20 30 DJEDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000552969982 341411180 /nfs/dbraw/zinc/41/11/80/341411180.db2.gz BEIUVPGVTBIFRG-VFNWGFHPSA-N 1 0 304.437 4.849 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)CC2 ZINC000554986983 341471592 /nfs/dbraw/zinc/47/15/92/341471592.db2.gz DAIFMZSYIUFGHY-INIZCTEOSA-N 1 0 317.219 4.642 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(C2CC2)c1 ZINC000556173075 341496181 /nfs/dbraw/zinc/49/61/81/341496181.db2.gz JYOQBFBAINYCSV-KGLIPLIRSA-N 1 0 308.400 4.987 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 ZINC000564493938 341502630 /nfs/dbraw/zinc/50/26/30/341502630.db2.gz BXSPKGWRORVCBS-SCLBCKFNSA-N 1 0 302.377 4.643 20 30 DJEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000565546527 341530620 /nfs/dbraw/zinc/53/06/20/341530620.db2.gz YDLAPNJLFBLGMQ-FOIQADDNSA-N 1 0 320.436 4.604 20 30 DJEDRO CC(C)c1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000566416150 341557109 /nfs/dbraw/zinc/55/71/09/341557109.db2.gz NSLRALVVWWRUMC-FQEVSTJZSA-N 1 0 307.441 4.564 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C#N)cc1 ZINC000289160163 341606206 /nfs/dbraw/zinc/60/62/06/341606206.db2.gz GYBGKYVXPKCKIH-VBKZILBWSA-N 1 0 315.420 4.768 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000336865181 341808933 /nfs/dbraw/zinc/80/89/33/341808933.db2.gz UZDCCUYPLKKMJW-KDOFPFPSSA-N 1 0 308.425 4.824 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000174855575 341832311 /nfs/dbraw/zinc/83/23/11/341832311.db2.gz NGDPYYPAGPOOPH-LJQANCHMSA-N 1 0 310.416 4.835 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](c3cccc(Cl)c3)C1)CC2 ZINC000576793579 341863542 /nfs/dbraw/zinc/86/35/42/341863542.db2.gz RPSDAPLKQIFDQY-YVWKXTFCSA-N 1 0 322.839 4.735 20 30 DJEDRO N#Cc1csc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000177681242 341923579 /nfs/dbraw/zinc/92/35/79/341923579.db2.gz AMZZOKXIQGVDAH-INIZCTEOSA-N 1 0 302.830 4.514 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000177692283 341924025 /nfs/dbraw/zinc/92/40/25/341924025.db2.gz QDMLFOYNUMZRHB-GOSISDBHSA-N 1 0 314.429 4.780 20 30 DJEDRO N#Cc1csc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000177697246 341924344 /nfs/dbraw/zinc/92/43/44/341924344.db2.gz AJCCQXHSNDGENZ-QGZVFWFLSA-N 1 0 316.857 4.904 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(F)c1 ZINC000178614482 341959920 /nfs/dbraw/zinc/95/99/20/341959920.db2.gz ZNGAXQASHCXULZ-INIZCTEOSA-N 1 0 302.418 4.636 20 30 DJEDRO N#Cc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)ccc1F ZINC000176802979 518196548 /nfs/dbraw/zinc/19/65/48/518196548.db2.gz OLRTUTMBMYIJID-SFHVURJKSA-N 1 0 314.791 4.592 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000130351717 519799049 /nfs/dbraw/zinc/79/90/49/519799049.db2.gz ASDQDULLZZTVOC-MRXNPFEDSA-N 1 0 322.330 4.657 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000267232522 526621533 /nfs/dbraw/zinc/62/15/33/526621533.db2.gz WDBQTEIHCSHCJG-UHFFFAOYSA-N 1 0 323.248 4.705 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)c1ccc(C#N)cc1 ZINC000285684020 535918472 /nfs/dbraw/zinc/91/84/72/535918472.db2.gz NTMZDZOPUGMWIO-IBGZPJMESA-N 1 0 303.409 4.589 20 30 DJEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000097006619 185396564 /nfs/dbraw/zinc/39/65/64/185396564.db2.gz QWENVFLKJAWROL-UHFFFAOYSA-N 1 0 322.452 4.580 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccnc(SCC)c1)c1ccco1 ZINC000287423910 335046256 /nfs/dbraw/zinc/04/62/56/335046256.db2.gz KGOJINMYTOQOAO-HNNXBMFYSA-N 1 0 302.443 4.584 20 30 DJEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000570871792 332832805 /nfs/dbraw/zinc/83/28/05/332832805.db2.gz NIAGEWPJMXCYEW-HZPDHXFCSA-N 1 0 323.278 4.630 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000533448672 331533441 /nfs/dbraw/zinc/53/34/41/331533441.db2.gz FELFSJGMIAGWHE-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO C[C@H]([NH2+]CCCSc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000539496469 331751831 /nfs/dbraw/zinc/75/18/31/331751831.db2.gz OZWNFPUDBNAQQO-AWEZNQCLSA-N 1 0 314.429 4.530 20 30 DJEDRO COc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)s3)ccc2c1 ZINC000557757109 331813793 /nfs/dbraw/zinc/81/37/93/331813793.db2.gz YRNURGAJLOXFOP-CYBMUJFWSA-N 1 0 322.433 4.632 20 30 DJEDRO N#CCCC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000584173269 331853298 /nfs/dbraw/zinc/85/32/98/331853298.db2.gz IDCCSPBLHAHIGM-UHFFFAOYSA-N 1 0 312.457 4.524 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000558081253 331859685 /nfs/dbraw/zinc/85/96/85/331859685.db2.gz UUXGLUFBIKYKNR-CNBHCMJISA-N 1 0 320.411 4.611 20 30 DJEDRO COc1ccc(C2CCC([NH2+]CC(C)(C)CCC#N)CC2)cc1 ZINC000558238878 331886720 /nfs/dbraw/zinc/88/67/20/331886720.db2.gz LSRJHWPFHJKEEX-UHFFFAOYSA-N 1 0 314.473 4.641 20 30 DJEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)cc1 ZINC000409447322 332031841 /nfs/dbraw/zinc/03/18/41/332031841.db2.gz DKDORQBCDBRVNY-GOSISDBHSA-N 1 0 300.446 4.552 20 30 DJEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000409635215 332043167 /nfs/dbraw/zinc/04/31/67/332043167.db2.gz BBEDMERSGPHQAT-UHFFFAOYSA-N 1 0 320.436 4.560 20 30 DJEDRO Cc1c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000090664991 332092066 /nfs/dbraw/zinc/09/20/66/332092066.db2.gz ZJZSOHXQBGZODH-QAPCUYQASA-N 1 0 323.396 4.599 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000090664556 332092090 /nfs/dbraw/zinc/09/20/90/332092090.db2.gz AAOUCDGCGCWRQJ-ACJLOTCBSA-N 1 0 300.352 4.660 20 30 DJEDRO CCCC[N@H+](CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000410339851 332113142 /nfs/dbraw/zinc/11/31/42/332113142.db2.gz VELPCWPECASRDI-UHFFFAOYSA-N 1 0 306.494 4.522 20 30 DJEDRO CC[N@H+](Cc1cnc2ccccc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000410333565 332113445 /nfs/dbraw/zinc/11/34/45/332113445.db2.gz SUSYALYXXVGNEE-MRXNPFEDSA-N 1 0 315.420 4.690 20 30 DJEDRO CC[N@H+](CCCCC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000410333064 332113500 /nfs/dbraw/zinc/11/35/00/332113500.db2.gz OQMPSGDEEGMQAZ-QGZVFWFLSA-N 1 0 314.473 4.538 20 30 DJEDRO CC[N@H+](Cc1cnc2ccccc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000410333564 332113614 /nfs/dbraw/zinc/11/36/14/332113614.db2.gz SUSYALYXXVGNEE-INIZCTEOSA-N 1 0 315.420 4.690 20 30 DJEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092191923 332115637 /nfs/dbraw/zinc/11/56/37/332115637.db2.gz JMNLDAVNYLJQCS-UHFFFAOYSA-N 1 0 323.484 4.986 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000537969044 332241585 /nfs/dbraw/zinc/24/15/85/332241585.db2.gz JJDPYAXGCUIALZ-AWEZNQCLSA-N 1 0 316.495 4.512 20 30 DJEDRO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000236956972 332254316 /nfs/dbraw/zinc/25/43/16/332254316.db2.gz BUJOTUFBUZGTNT-QGZVFWFLSA-N 1 0 322.452 4.782 20 30 DJEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000426065067 335099148 /nfs/dbraw/zinc/09/91/48/335099148.db2.gz XKFMNBUEFMTJMH-BLLLJJGKSA-N 1 0 310.363 4.646 20 30 DJEDRO N#CC1(C[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000560177204 332317010 /nfs/dbraw/zinc/31/70/10/332317010.db2.gz UTTZKJKFZUOLKN-SJORKVTESA-N 1 0 302.849 4.650 20 30 DJEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4c(Cl)cccc43)CC2)c1 ZINC000560265672 332326421 /nfs/dbraw/zinc/32/64/21/332326421.db2.gz PWJXFOONBLTANE-LJQANCHMSA-N 1 0 322.839 4.868 20 30 DJEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000583351946 332347204 /nfs/dbraw/zinc/34/72/04/332347204.db2.gz YTONNMRNZRBSFS-FOIQADDNSA-N 1 0 320.436 4.684 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccco1 ZINC000560530586 332352435 /nfs/dbraw/zinc/35/24/35/332352435.db2.gz RYMBCCMDMOXPBV-AWEZNQCLSA-N 1 0 318.486 4.873 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCOc3cc(C)ccc32)cc1 ZINC000560569726 332360436 /nfs/dbraw/zinc/36/04/36/332360436.db2.gz IOZPNFLYBKEMAF-FQEVSTJZSA-N 1 0 323.436 4.563 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)cc1 ZINC000560569727 332360630 /nfs/dbraw/zinc/36/06/30/332360630.db2.gz IOZPNFLYBKEMAF-HXUWFJFHSA-N 1 0 323.436 4.563 20 30 DJEDRO C[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000560563732 332361468 /nfs/dbraw/zinc/36/14/68/332361468.db2.gz FHBHHFRSBIVMMD-RXVVDRJESA-N 1 0 306.453 4.890 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000561132732 332415057 /nfs/dbraw/zinc/41/50/57/332415057.db2.gz SFWCXIVKHPTHDR-WOJBJXKFSA-N 1 0 322.839 4.866 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000393381300 332419445 /nfs/dbraw/zinc/41/94/45/332419445.db2.gz JLWBDDKNBVPRMV-UHFFFAOYSA-N 1 0 321.342 4.560 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000574884812 332446119 /nfs/dbraw/zinc/44/61/19/332446119.db2.gz GXJSWKAMGZVECS-SJORKVTESA-N 1 0 316.857 4.699 20 30 DJEDRO CCC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1F ZINC000150941624 332460067 /nfs/dbraw/zinc/46/00/67/332460067.db2.gz NFAQDCMJBIUTBO-MRXNPFEDSA-N 1 0 306.381 4.529 20 30 DJEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)CCC#N ZINC000562045007 332536080 /nfs/dbraw/zinc/53/60/80/332536080.db2.gz SVQMRGPQBUARFA-CQSZACIVSA-N 1 0 324.415 4.529 20 30 DJEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)CCC#N ZINC000562045006 332536082 /nfs/dbraw/zinc/53/60/82/332536082.db2.gz SVQMRGPQBUARFA-AWEZNQCLSA-N 1 0 324.415 4.529 20 30 DJEDRO CC(C)Oc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130502182 332539197 /nfs/dbraw/zinc/53/91/97/332539197.db2.gz WJNYPIYRCVSQGL-HXUWFJFHSA-N 1 0 308.425 4.608 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)cc1F ZINC000427851558 332540609 /nfs/dbraw/zinc/54/06/09/332540609.db2.gz CWHUXNKECMKJEG-SFHVURJKSA-N 1 0 314.791 4.518 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(C)(C)C ZINC000428366984 332543988 /nfs/dbraw/zinc/54/39/88/332543988.db2.gz ZADSQJANVDDULS-LJQANCHMSA-N 1 0 310.416 4.883 20 30 DJEDRO CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000569822848 332683123 /nfs/dbraw/zinc/68/31/23/332683123.db2.gz VPUINAPZZXSMOJ-IIBYNOLFSA-N 1 0 321.468 4.954 20 30 DJEDRO N#Cc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000159968681 332738806 /nfs/dbraw/zinc/73/88/06/332738806.db2.gz JQRFFSNTGRNCNS-UHFFFAOYSA-N 1 0 324.733 4.520 20 30 DJEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(C)(C)CCC#N)c1 ZINC000570472292 332759662 /nfs/dbraw/zinc/75/96/62/332759662.db2.gz KNOSGEKYXDBTRP-ZDUSSCGKSA-N 1 0 310.388 4.577 20 30 DJEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000520963383 333058083 /nfs/dbraw/zinc/05/80/83/333058083.db2.gz FWMLEHFRJZWRMC-UYAOXDASSA-N 1 0 314.473 4.818 20 30 DJEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000520963382 333058171 /nfs/dbraw/zinc/05/81/71/333058171.db2.gz FWMLEHFRJZWRMC-QUCCMNQESA-N 1 0 314.473 4.818 20 30 DJEDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCC(C)(C)C#N ZINC000174811280 333091020 /nfs/dbraw/zinc/09/10/20/333091020.db2.gz RDYZFYYQTIPIEX-CYBMUJFWSA-N 1 0 301.459 4.619 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(OCC#N)cc1 ZINC000180539005 333162831 /nfs/dbraw/zinc/16/28/31/333162831.db2.gz VATIFZMHBUZXML-YWZLYKJASA-N 1 0 320.436 4.662 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)cc1F ZINC000181589367 333170522 /nfs/dbraw/zinc/17/05/22/333170522.db2.gz XRUYYBLGYSTXMW-CYBMUJFWSA-N 1 0 314.379 4.617 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000181638481 333170973 /nfs/dbraw/zinc/17/09/73/333170973.db2.gz UMXYMBFTPVCQQL-ZDUSSCGKSA-N 1 0 314.379 4.617 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182812645 333180344 /nfs/dbraw/zinc/18/03/44/333180344.db2.gz QECVDAVMLWPFGS-HNNXBMFYSA-N 1 0 310.413 4.662 20 30 DJEDRO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)c2ccccc21 ZINC000184923983 333202731 /nfs/dbraw/zinc/20/27/31/333202731.db2.gz LNHFRGWQYSBNNE-ZIAGYGMSSA-N 1 0 311.816 4.587 20 30 DJEDRO C[C@@H](CCSc1ccccc1)[NH+]1CCC(CCC#N)CC1 ZINC000563066131 333256830 /nfs/dbraw/zinc/25/68/30/333256830.db2.gz JYHCUEJDDGEXEN-INIZCTEOSA-N 1 0 302.487 4.573 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000390291987 333259591 /nfs/dbraw/zinc/25/95/91/333259591.db2.gz PDXBROUYAKEQLZ-MRXNPFEDSA-N 1 0 311.425 4.501 20 30 DJEDRO CCOc1ccccc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497619287 333270497 /nfs/dbraw/zinc/27/04/97/333270497.db2.gz RSJYWVFZZSUVHB-INIZCTEOSA-N 1 0 308.425 4.540 20 30 DJEDRO CC[N@H+](Cc1cc(Cl)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000495061537 333351988 /nfs/dbraw/zinc/35/19/88/333351988.db2.gz TWFXNBGLHJLVGV-LBPRGKRZSA-N 1 0 304.846 4.856 20 30 DJEDRO C[C@@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000319655532 333393423 /nfs/dbraw/zinc/39/34/23/333393423.db2.gz FZCZOLJPHCMVSL-CXAGYDPISA-N 1 0 318.342 4.903 20 30 DJEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000320015058 333421144 /nfs/dbraw/zinc/42/11/44/333421144.db2.gz FJZGSMLFBYUAIU-HOTGVXAUSA-N 1 0 308.425 4.757 20 30 DJEDRO Cc1csc(C2([NH2+]CCC3(C#N)CCCCC3)CCCC2)n1 ZINC000411395506 333663970 /nfs/dbraw/zinc/66/39/70/333663970.db2.gz ZTTVACPHUNEZDT-UHFFFAOYSA-N 1 0 317.502 4.675 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000571129178 333666458 /nfs/dbraw/zinc/66/64/58/333666458.db2.gz GQLLBSPCNVNGAR-UXHICEINSA-N 1 0 308.400 4.672 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](c3cccc(F)c3)C1)CC2 ZINC000571129235 333666709 /nfs/dbraw/zinc/66/67/09/333666709.db2.gz IVOSFTJQTNUDMO-YFVAEKQCSA-N 1 0 320.411 4.611 20 30 DJEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000411615610 333698201 /nfs/dbraw/zinc/69/82/01/333698201.db2.gz RTHVWGCBQGRDRQ-XNRPHZJLSA-N 1 0 310.363 4.623 20 30 DJEDRO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)s1)CCC2 ZINC000571326875 333743597 /nfs/dbraw/zinc/74/35/97/333743597.db2.gz MKOMDDMQTZEBPR-KRWDZBQOSA-N 1 0 314.479 4.509 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1csc(-c2ccccc2)n1 ZINC000414172757 333907970 /nfs/dbraw/zinc/90/79/70/333907970.db2.gz YRMPMRCKABPERL-AWEZNQCLSA-N 1 0 313.470 4.791 20 30 DJEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(F)(F)F ZINC000414284331 333933380 /nfs/dbraw/zinc/93/33/80/333933380.db2.gz QHDLNAHKVNTQFF-OOHWJJMZSA-N 1 0 324.390 4.569 20 30 DJEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(F)(F)F ZINC000414284327 333933529 /nfs/dbraw/zinc/93/35/29/333933529.db2.gz QHDLNAHKVNTQFF-ODIFPOPNSA-N 1 0 324.390 4.569 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000271861000 334027766 /nfs/dbraw/zinc/02/77/66/334027766.db2.gz KJJWXACXRWHIQF-KKSFZXQISA-N 1 0 320.436 4.699 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456793 334046756 /nfs/dbraw/zinc/04/67/56/334046756.db2.gz HHOVUGGBTKSCKF-APWZRJJASA-N 1 0 308.425 4.705 20 30 DJEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000277780856 334090960 /nfs/dbraw/zinc/09/09/60/334090960.db2.gz RVEUBNNRLKWWSM-INIZCTEOSA-N 1 0 313.470 4.542 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 ZINC000278554292 334098048 /nfs/dbraw/zinc/09/80/48/334098048.db2.gz BAUDDRXDPSKFDR-ZDUSSCGKSA-N 1 0 310.388 4.659 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000278940742 334103972 /nfs/dbraw/zinc/10/39/72/334103972.db2.gz YBBKWRPGAKTCKV-HNNXBMFYSA-N 1 0 311.429 4.712 20 30 DJEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc2ccccc21 ZINC000282043659 334130718 /nfs/dbraw/zinc/13/07/18/334130718.db2.gz RDEXOWVBZMTPGT-KRWDZBQOSA-N 1 0 322.452 4.591 20 30 DJEDRO CCc1cccc2c(C3CC[NH+]([C@H]4CC[C@H](C#N)C4)CC3)c[nH]c21 ZINC000293384191 334197856 /nfs/dbraw/zinc/19/78/56/334197856.db2.gz GLYHHBZSQUOZLT-YJBOKZPZSA-N 1 0 321.468 4.602 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(Cl)cn1 ZINC000340428779 334198245 /nfs/dbraw/zinc/19/82/45/334198245.db2.gz AINDJTYOFKCYRN-KBXCAEBGSA-N 1 0 313.832 4.821 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511832 334198539 /nfs/dbraw/zinc/19/85/39/334198539.db2.gz IBHIDYVDYHJYBK-UKPHBRMFSA-N 1 0 322.374 4.577 20 30 DJEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000293511837 334198542 /nfs/dbraw/zinc/19/85/42/334198542.db2.gz IBHIDYVDYHJYBK-UNEWFSDZSA-N 1 0 322.374 4.577 20 30 DJEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340430375 334198990 /nfs/dbraw/zinc/19/89/90/334198990.db2.gz GTZNVFXPBYYELV-UIFIKXQLSA-N 1 0 322.452 4.787 20 30 DJEDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340433552 334199586 /nfs/dbraw/zinc/19/95/86/334199586.db2.gz PHHCVVOPKKEAFM-UZLBHIALSA-N 1 0 310.416 4.781 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441752 334202408 /nfs/dbraw/zinc/20/24/08/334202408.db2.gz DLUZMAQLLPCUOP-QRWLVFNGSA-N 1 0 321.399 4.783 20 30 DJEDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340446411 334203411 /nfs/dbraw/zinc/20/34/11/334203411.db2.gz OENJXRGDXBUJMC-VQTJNVASSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000340445973 334203495 /nfs/dbraw/zinc/20/34/95/334203495.db2.gz MLFNHMZNYVZXKZ-BEFAXECRSA-N 1 0 323.396 4.681 20 30 DJEDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000340445475 334203953 /nfs/dbraw/zinc/20/39/53/334203953.db2.gz DOKRJGGFALTUSH-DYESRHJHSA-N 1 0 322.452 4.651 20 30 DJEDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000340445478 334203956 /nfs/dbraw/zinc/20/39/56/334203956.db2.gz DOKRJGGFALTUSH-UWJYYQICSA-N 1 0 322.452 4.651 20 30 DJEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340447318 334204297 /nfs/dbraw/zinc/20/42/97/334204297.db2.gz PQHAZDXXJRZBKK-GUDVDZBRSA-N 1 0 314.473 4.603 20 30 DJEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447208 334204303 /nfs/dbraw/zinc/20/43/03/334204303.db2.gz PIXPWOAWFKUIID-UZLBHIALSA-N 1 0 310.416 4.781 20 30 DJEDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1(C)C ZINC000340447319 334204320 /nfs/dbraw/zinc/20/43/20/334204320.db2.gz PQHAZDXXJRZBKK-IPMKNSEASA-N 1 0 314.473 4.603 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000340447959 334204552 /nfs/dbraw/zinc/20/45/52/334204552.db2.gz QGSNTXKBGWWXQN-RTWAWAEBSA-N 1 0 320.436 4.794 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000340448330 334204629 /nfs/dbraw/zinc/20/46/29/334204629.db2.gz RRCUSQYFDUFXSY-LEWJYISDSA-N 1 0 304.437 4.569 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000340448359 334204655 /nfs/dbraw/zinc/20/46/55/334204655.db2.gz RRCUSQYFDUFXSY-SFTDATJTSA-N 1 0 304.437 4.569 20 30 DJEDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cn1 ZINC000340450337 334204803 /nfs/dbraw/zinc/20/48/03/334204803.db2.gz XJMMVQUFRONGCX-LPHOPBHVSA-N 1 0 310.445 4.550 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000340450546 334204967 /nfs/dbraw/zinc/20/49/67/334204967.db2.gz NEZHPYKDSHWKPH-PMACEKPBSA-N 1 0 324.855 4.832 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000340450548 334205092 /nfs/dbraw/zinc/20/50/92/334205092.db2.gz NEZHPYKDSHWKPH-VQTJNVASSA-N 1 0 324.855 4.832 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000340449734 334205474 /nfs/dbraw/zinc/20/54/74/334205474.db2.gz WOPUXYNTLCBNGJ-UXHICEINSA-N 1 0 308.400 4.838 20 30 DJEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)CC2 ZINC000340452987 334205594 /nfs/dbraw/zinc/20/55/94/334205594.db2.gz PYGMJVAZXAYQRI-NHCUHLMSSA-N 1 0 320.436 4.707 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000294939706 334214313 /nfs/dbraw/zinc/21/43/13/334214313.db2.gz CDDQPIUCNRHSLD-GWCFXTLKSA-N 1 0 316.754 4.531 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000296621185 334235563 /nfs/dbraw/zinc/23/55/63/334235563.db2.gz WWNLZXTWZSRVRR-WHOFXGATSA-N 1 0 306.862 4.549 20 30 DJEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000298854690 334251803 /nfs/dbraw/zinc/25/18/03/334251803.db2.gz IUHGHAJBGXQZKB-HZPDHXFCSA-N 1 0 308.425 4.705 20 30 DJEDRO Cc1cccc(NC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000187699560 334267962 /nfs/dbraw/zinc/26/79/62/334267962.db2.gz CUIDQCZSRWTQIH-KRWDZBQOSA-N 1 0 319.452 4.504 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341711660 334473007 /nfs/dbraw/zinc/47/30/07/334473007.db2.gz PHITWCBBZREDEA-WOJBJXKFSA-N 1 0 308.400 4.816 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(C(F)(F)F)cc1 ZINC000342192828 334516233 /nfs/dbraw/zinc/51/62/33/334516233.db2.gz LZDDCLOXZNTQFA-INIZCTEOSA-N 1 0 324.346 4.799 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1nc(C(C)(C)C)cs1 ZINC000444680383 338481831 /nfs/dbraw/zinc/48/18/31/338481831.db2.gz FFDUSVYLONIXON-ZDUSSCGKSA-N 1 0 307.507 4.811 20 30 DJEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000093492227 335652790 /nfs/dbraw/zinc/65/27/90/335652790.db2.gz WUJNZKDJCRKZNY-MRXNPFEDSA-N 1 0 304.846 4.760 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)c(Cl)c1 ZINC000093492067 335652854 /nfs/dbraw/zinc/65/28/54/335652854.db2.gz JLGDJIKBBWNUEJ-SECBINFHSA-N 1 0 311.237 4.777 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000526087088 335755901 /nfs/dbraw/zinc/75/59/01/335755901.db2.gz GYZXIZMJKUCXIW-GOEBONIOSA-N 1 0 324.390 4.871 20 30 DJEDRO CC(=O)Nc1ccc(C[NH2+]C2CCC3(CCCCC3)CC2)cn1 ZINC000330320766 336157803 /nfs/dbraw/zinc/15/78/03/336157803.db2.gz FLBRFXIZQSQRTL-UHFFFAOYSA-N 1 0 315.461 4.672 20 30 DJEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000532579024 336256205 /nfs/dbraw/zinc/25/62/05/336256205.db2.gz RJAYFHUKXTZFSZ-MRXNPFEDSA-N 1 0 313.445 4.784 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000526984417 336277444 /nfs/dbraw/zinc/27/74/44/336277444.db2.gz SUEPIAUCCRMWSA-KRWDZBQOSA-N 1 0 300.352 4.759 20 30 DJEDRO CC(C)CCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000325111024 336279216 /nfs/dbraw/zinc/27/92/16/336279216.db2.gz FIYISQMGLVLWCT-QGZVFWFLSA-N 1 0 322.452 4.834 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(OCC#N)cc1 ZINC000192936286 336285226 /nfs/dbraw/zinc/28/52/26/336285226.db2.gz FQRZQEYPKWXYHQ-ZIAGYGMSSA-N 1 0 314.816 4.654 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1cccc(C#N)c1 ZINC000192975259 336286237 /nfs/dbraw/zinc/28/62/37/336286237.db2.gz LRTJUIXDWAXBMC-OLZOCXBDSA-N 1 0 316.351 4.571 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1ccc(C#N)cc1 ZINC000192988854 336286622 /nfs/dbraw/zinc/28/66/22/336286622.db2.gz LVLBGLZCYIDHEX-PXAZEXFGSA-N 1 0 312.413 4.585 20 30 DJEDRO CCCC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000103172599 336375239 /nfs/dbraw/zinc/37/52/39/336375239.db2.gz WXECSWBMFOQHFW-FQEVSTJZSA-N 1 0 308.425 4.588 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000583672647 336391352 /nfs/dbraw/zinc/39/13/52/336391352.db2.gz UDIMPIRZKIEYBM-JRSKDTKFSA-N 1 0 302.849 4.637 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCSc3ccc(F)cc31)CC2 ZINC000353263249 336408927 /nfs/dbraw/zinc/40/89/27/336408927.db2.gz WCISLAQXIDQHDU-ZWKOTPCHSA-N 1 0 324.424 4.511 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccccc1 ZINC000353913219 336447654 /nfs/dbraw/zinc/44/76/54/336447654.db2.gz HUYVBBKNEPJLNZ-HXUWFJFHSA-N 1 0 315.420 4.760 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1F ZINC000358567893 336634944 /nfs/dbraw/zinc/63/49/44/336634944.db2.gz KMMKLSSQTIZELX-ARGWCVDVSA-N 1 0 308.400 4.987 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(Cl)ccc1F ZINC000418148028 336898114 /nfs/dbraw/zinc/89/81/14/336898114.db2.gz SHKPSFSIQGFKFS-GOSISDBHSA-N 1 0 314.791 4.518 20 30 DJEDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000375721237 337017790 /nfs/dbraw/zinc/01/77/90/337017790.db2.gz VDAUONPGKHRPGE-PCCBWWKXSA-N 1 0 320.436 4.519 20 30 DJEDRO N#Cc1ccc(C[NH2+]C(c2cccs2)c2cccs2)s1 ZINC000176973137 337154043 /nfs/dbraw/zinc/15/40/43/337154043.db2.gz HUBIJTCBLUZCDJ-UHFFFAOYSA-N 1 0 316.476 4.622 20 30 DJEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1OC ZINC000181575616 337183037 /nfs/dbraw/zinc/18/30/37/337183037.db2.gz AFOHHTTZPFFHJA-RBUKOAKNSA-N 1 0 308.425 4.781 20 30 DJEDRO CC[C@H]([NH2+]CCc1c[nH]c2cccc(C)c12)c1ccc(C#N)cc1 ZINC000583004153 337227821 /nfs/dbraw/zinc/22/78/21/337227821.db2.gz SKEGFLZUXJXCSE-IBGZPJMESA-N 1 0 317.436 4.631 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](c3ccc(F)cc3)C1)CC2 ZINC000583842478 337342812 /nfs/dbraw/zinc/34/28/12/337342812.db2.gz VLFQJXXGXDCDMK-YFVAEKQCSA-N 1 0 320.411 4.611 20 30 DJEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000421824970 337646393 /nfs/dbraw/zinc/64/63/93/337646393.db2.gz LDTIEVNQQJPAAF-STQMWFEESA-N 1 0 314.816 4.632 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1 ZINC000527962036 337780309 /nfs/dbraw/zinc/78/03/09/337780309.db2.gz DJQCVFZCFJVNHV-UYAOXDASSA-N 1 0 305.425 4.535 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc2cc(OC)ccc2c1 ZINC000424333897 337822497 /nfs/dbraw/zinc/82/24/97/337822497.db2.gz URGSKWCDSOUGKB-BOUXLOLZSA-N 1 0 308.425 4.581 20 30 DJEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCCC#N)cc2)c1 ZINC000537099297 337890314 /nfs/dbraw/zinc/89/03/14/337890314.db2.gz RFISOBARXBJSTL-KRWDZBQOSA-N 1 0 308.425 4.528 20 30 DJEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000537157239 337901950 /nfs/dbraw/zinc/90/19/50/337901950.db2.gz VJAYZTZDDPLNRO-FQEVSTJZSA-N 1 0 322.452 4.752 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000537294857 337928923 /nfs/dbraw/zinc/92/89/23/337928923.db2.gz GYZSTBAUJUJZFR-XJKSGUPXSA-N 1 0 311.256 4.913 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000514741916 337969846 /nfs/dbraw/zinc/96/98/46/337969846.db2.gz VXBFXHNYUINQEV-OWCLPIDISA-N 1 0 310.363 4.623 20 30 DJEDRO CCSc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000426319767 338026822 /nfs/dbraw/zinc/02/68/22/338026822.db2.gz XYMJAKBTICTHHL-FQEVSTJZSA-N 1 0 322.477 4.837 20 30 DJEDRO CC(C)Sc1cccc(Cl)c1C[NH2+]CC1(CC#N)CC1 ZINC000430003200 338093126 /nfs/dbraw/zinc/09/31/26/338093126.db2.gz IFBVBVMSYIMSIG-UHFFFAOYSA-N 1 0 308.878 4.624 20 30 DJEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000430733232 338112712 /nfs/dbraw/zinc/11/27/12/338112712.db2.gz DZLGSWQUKRSHON-INIZCTEOSA-N 1 0 306.409 4.823 20 30 DJEDRO N#CCC1(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000430742256 338113075 /nfs/dbraw/zinc/11/30/75/338113075.db2.gz LCJPTENMROPTAW-NRFANRHFSA-N 1 0 318.464 4.514 20 30 DJEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000430745276 338113189 /nfs/dbraw/zinc/11/31/89/338113189.db2.gz WLQNJCZNLQUFFQ-KRWDZBQOSA-N 1 0 310.466 4.624 20 30 DJEDRO N#CCC1(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000430755395 338113768 /nfs/dbraw/zinc/11/37/68/338113768.db2.gz QGFDPXTZEDBAAP-SFHVURJKSA-N 1 0 310.828 4.713 20 30 DJEDRO N#CCC1(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000430755394 338113816 /nfs/dbraw/zinc/11/38/16/338113816.db2.gz QGFDPXTZEDBAAP-GOSISDBHSA-N 1 0 310.828 4.713 20 30 DJEDRO N#CCC1(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000430757090 338113979 /nfs/dbraw/zinc/11/39/79/338113979.db2.gz FDGFNQQEHQOKPN-UHFFFAOYSA-N 1 0 311.256 4.600 20 30 DJEDRO N#CCCC[C@@H]([NH2+]CCc1ccccc1Cl)c1ccccc1 ZINC000433012302 338176237 /nfs/dbraw/zinc/17/62/37/338176237.db2.gz JNLRMTIEBSCVAA-LJQANCHMSA-N 1 0 312.844 4.907 20 30 DJEDRO Cc1cccc(CCC[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433021612 338176737 /nfs/dbraw/zinc/17/67/37/338176737.db2.gz RMSXTOSCFSEHMD-OAQYLSRUSA-N 1 0 306.453 4.952 20 30 DJEDRO N#CCCC[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000433026729 338177065 /nfs/dbraw/zinc/17/70/65/338177065.db2.gz QZCADTOWKPRWQU-INIZCTEOSA-N 1 0 321.449 4.821 20 30 DJEDRO CCc1ccccc1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433027834 338177173 /nfs/dbraw/zinc/17/71/73/338177173.db2.gz XDZYTEXYNMLCPH-OAQYLSRUSA-N 1 0 306.453 4.816 20 30 DJEDRO Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccc(CC#N)cc3)oc2c1 ZINC000572482378 338231841 /nfs/dbraw/zinc/23/18/41/338231841.db2.gz PRYGJPATPRGICK-OAHLLOKOSA-N 1 0 304.393 4.658 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 ZINC000154328153 338241380 /nfs/dbraw/zinc/24/13/80/338241380.db2.gz OWSXKWUFGWZFLQ-KBPBESRZSA-N 1 0 310.466 4.910 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000435664739 338244644 /nfs/dbraw/zinc/24/46/44/338244644.db2.gz NQWFEYZRYISYAX-HSMVNMDESA-N 1 0 314.256 4.625 20 30 DJEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000436263238 338264359 /nfs/dbraw/zinc/26/43/59/338264359.db2.gz MWSAWQDVLLDVIM-QZTJIDSGSA-N 1 0 308.510 4.670 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000436287988 338266325 /nfs/dbraw/zinc/26/63/25/338266325.db2.gz UMIZABMYCQILSN-HSMVNMDESA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000436291963 338266598 /nfs/dbraw/zinc/26/65/98/338266598.db2.gz AZVOCOXFQGMYDW-CWSCBRNRSA-N 1 0 320.285 4.687 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000436296056 338267092 /nfs/dbraw/zinc/26/70/92/338267092.db2.gz QWRAMFJYUOMREH-CLCXKQKWSA-N 1 0 313.441 4.627 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000436308932 338268225 /nfs/dbraw/zinc/26/82/25/338268225.db2.gz RDVDYCPOUHVQAP-LXIYXOSZSA-N 1 0 319.832 4.718 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000436308078 338268287 /nfs/dbraw/zinc/26/82/87/338268287.db2.gz SNBDRJHOSVQEBA-SDNTUTLCSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000436313743 338268690 /nfs/dbraw/zinc/26/86/90/338268690.db2.gz XMCBPJKOVPFWQH-HSMVNMDESA-N 1 0 314.256 4.625 20 30 DJEDRO CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000439428657 338369073 /nfs/dbraw/zinc/36/90/73/338369073.db2.gz YZSPVQOETPYTQU-AWEZNQCLSA-N 1 0 323.827 4.666 20 30 DJEDRO C[C@H](NCc1ccc(C#N)cc1Cl)c1c(F)cccc1Cl ZINC000439440815 338369458 /nfs/dbraw/zinc/36/94/58/338369458.db2.gz QQAKZAYZTAOZAG-JTQLQIEISA-N 1 0 323.198 4.855 20 30 DJEDRO COc1cccc(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442675329 338427162 /nfs/dbraw/zinc/42/71/62/338427162.db2.gz GDZQPPLRIQCFTI-MRXNPFEDSA-N 1 0 320.436 4.507 20 30 DJEDRO N#CCCCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442774416 338430295 /nfs/dbraw/zinc/43/02/95/338430295.db2.gz AIYBTEZRCDMCSB-HOCLYGCPSA-N 1 0 310.363 4.625 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000442778786 338430612 /nfs/dbraw/zinc/43/06/12/338430612.db2.gz BZOMIXAUMSPOGA-DQYPLSBCSA-N 1 0 316.857 4.773 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC000442791869 338431770 /nfs/dbraw/zinc/43/17/70/338431770.db2.gz OMZPNPDQZIWGCI-RDTXWAMCSA-N 1 0 310.828 4.789 20 30 DJEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3Cl)CCC2)C1 ZINC000442846148 338434240 /nfs/dbraw/zinc/43/42/40/338434240.db2.gz OATASHQDORMYJN-JSGCOSHPSA-N 1 0 323.267 4.697 20 30 DJEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CCC(C#N)CC1 ZINC000442856172 338435145 /nfs/dbraw/zinc/43/51/45/338435145.db2.gz OBWITPJCZKDFTF-NFOMZHRRSA-N 1 0 324.390 4.556 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000442859613 338435461 /nfs/dbraw/zinc/43/54/61/338435461.db2.gz KANIKLPCZJRSMO-NEPJUHHUSA-N 1 0 309.240 4.654 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000442866200 338436124 /nfs/dbraw/zinc/43/61/24/338436124.db2.gz VXRQLTROMMGDSF-OLZOCXBDSA-N 1 0 323.267 4.697 20 30 DJEDRO Cc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)C2CCCC2)o1 ZINC000442867721 338436319 /nfs/dbraw/zinc/43/63/19/338436319.db2.gz MFQJLSHFFIGFBH-LADRWXRNSA-N 1 0 300.446 4.739 20 30 DJEDRO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000442868706 338436440 /nfs/dbraw/zinc/43/64/40/338436440.db2.gz RCJFHSBIGSYMKO-JMLCCBQJSA-N 1 0 304.865 4.957 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447511186 338553270 /nfs/dbraw/zinc/55/32/70/338553270.db2.gz SFNSQUXFQFXYNM-XIKOKIGWSA-N 1 0 300.352 4.638 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000447584433 338559185 /nfs/dbraw/zinc/55/91/85/338559185.db2.gz GAIXWPZZCMQNMJ-CZUORRHYSA-N 1 0 322.374 4.757 20 30 DJEDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447585946 338559496 /nfs/dbraw/zinc/55/94/96/338559496.db2.gz LCLJMEYLBWSETC-PVAVHDDUSA-N 1 0 324.390 4.968 20 30 DJEDRO CC1(C#N)CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000449067488 338589993 /nfs/dbraw/zinc/58/99/93/338589993.db2.gz LTVDPBASJPQIMI-GNHJJJEISA-N 1 0 320.889 4.939 20 30 DJEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000449272383 338608561 /nfs/dbraw/zinc/60/85/61/338608561.db2.gz VXJWSNWBSCEMCO-IGEOTXOUSA-N 1 0 324.390 4.871 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000449445536 338624784 /nfs/dbraw/zinc/62/47/84/338624784.db2.gz JNQCPDJTKWEJTG-KXBFYZLASA-N 1 0 308.400 4.665 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449445312 338624797 /nfs/dbraw/zinc/62/47/97/338624797.db2.gz HYJCABIOCAEJLO-HTVCTNPSSA-N 1 0 308.878 4.565 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449447325 338624837 /nfs/dbraw/zinc/62/48/37/338624837.db2.gz YRASINQAXQYTQK-KYNGSXCRSA-N 1 0 314.860 4.948 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)ccc1F ZINC000451159567 338723595 /nfs/dbraw/zinc/72/35/95/338723595.db2.gz AYCUWKJDNQZWLS-OAHLLOKOSA-N 1 0 310.416 4.786 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000453182841 338803913 /nfs/dbraw/zinc/80/39/13/338803913.db2.gz XTLTWFXHQDUVIS-WBMJQRKESA-N 1 0 323.362 4.787 20 30 DJEDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000453295063 338819969 /nfs/dbraw/zinc/81/99/69/338819969.db2.gz RLFDJCWBRRBTJP-DZKIICNBSA-N 1 0 320.864 4.860 20 30 DJEDRO N#CCCCC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459406784 339027351 /nfs/dbraw/zinc/02/73/51/339027351.db2.gz LMFVTDPERHVKOV-JXMROGBWSA-N 1 0 320.436 4.562 20 30 DJEDRO C=CCC[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000462177243 339073303 /nfs/dbraw/zinc/07/33/03/339073303.db2.gz QCRXYUSNYRKCIT-GOSISDBHSA-N 1 0 319.420 4.942 20 30 DJEDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000462553741 339081302 /nfs/dbraw/zinc/08/13/02/339081302.db2.gz QJSSXUKKINGFII-MJGOQNOKSA-N 1 0 310.466 4.669 20 30 DJEDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000462553735 339081306 /nfs/dbraw/zinc/08/13/06/339081306.db2.gz QJSSXUKKINGFII-HKUYNNGSSA-N 1 0 310.466 4.669 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463237456 339111028 /nfs/dbraw/zinc/11/10/28/339111028.db2.gz VTAWRVOSAHYFTL-CEMLEFRQSA-N 1 0 318.464 4.685 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2cccc(-c3ccccc3)c2)C1 ZINC000463240030 339111197 /nfs/dbraw/zinc/11/11/97/339111197.db2.gz HPEXBXSSDXQMMU-NQIIRXRSSA-N 1 0 304.437 4.568 20 30 DJEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463280972 339113112 /nfs/dbraw/zinc/11/31/12/339113112.db2.gz FMJKCHHBMWQCPM-XJKSGUPXSA-N 1 0 324.390 4.655 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000463281388 339113156 /nfs/dbraw/zinc/11/31/56/339113156.db2.gz HGLQYOBAUFWCTM-ZMYBRWDISA-N 1 0 300.421 4.729 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288818 339113533 /nfs/dbraw/zinc/11/35/33/339113533.db2.gz QDGMLEPOCUFASN-UEKVPHQBSA-N 1 0 309.240 4.653 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000463297324 339113902 /nfs/dbraw/zinc/11/39/02/339113902.db2.gz KPPGTWVVZGTAAL-DZFGPLHGSA-N 1 0 304.437 4.756 20 30 DJEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1c(Cl)cccc1Cl ZINC000463303229 339114189 /nfs/dbraw/zinc/11/41/89/339114189.db2.gz QMDMAARNVKSYPN-UPJWGTAASA-N 1 0 311.256 4.769 20 30 DJEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000463304841 339114286 /nfs/dbraw/zinc/11/42/86/339114286.db2.gz WRQPHKXOLQCJCE-IMFGXOCKSA-N 1 0 311.473 4.555 20 30 DJEDRO N#CCCCC[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463373850 339116170 /nfs/dbraw/zinc/11/61/70/339116170.db2.gz YFRZROSBGXIBEA-UHFFFAOYSA-N 1 0 311.256 4.867 20 30 DJEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000463904052 339128540 /nfs/dbraw/zinc/12/85/40/339128540.db2.gz HHTPJKYQLUUJST-FOIQADDNSA-N 1 0 310.416 4.615 20 30 DJEDRO N#CCSCCC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000466727564 339214411 /nfs/dbraw/zinc/21/44/11/339214411.db2.gz CYELOQLNGZXRBR-UHFFFAOYSA-N 1 0 320.477 4.607 20 30 DJEDRO CCC(CC)([NH2+]CCCSCC#N)c1ccc(Cl)cc1 ZINC000467191481 339227523 /nfs/dbraw/zinc/22/75/23/339227523.db2.gz NCUTYMOIIGBQKS-UHFFFAOYSA-N 1 0 310.894 4.592 20 30 DJEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000467445169 339239003 /nfs/dbraw/zinc/23/90/03/339239003.db2.gz YKZLSIWPVILFIM-MXAVVETBSA-N 1 0 323.267 4.911 20 30 DJEDRO C=C[C@@](C)(CC)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000468004391 339250967 /nfs/dbraw/zinc/25/09/67/339250967.db2.gz LGGCLUXWJWKABL-FQEVSTJZSA-N 1 0 314.473 4.589 20 30 DJEDRO Cc1oc2ccccc2c1CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000468029710 339251677 /nfs/dbraw/zinc/25/16/77/339251677.db2.gz ZDHUTUWDENBLDP-CQSZACIVSA-N 1 0 304.393 4.506 20 30 DJEDRO C=CC1CC[NH+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000468279630 339258713 /nfs/dbraw/zinc/25/87/13/339258713.db2.gz YMQGMECXHLJACF-UHFFFAOYSA-N 1 0 316.832 4.701 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000468836208 339272235 /nfs/dbraw/zinc/27/22/35/339272235.db2.gz FRHALBRAZZFJQT-LBPRGKRZSA-N 1 0 307.846 4.817 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000469995952 339307498 /nfs/dbraw/zinc/30/74/98/339307498.db2.gz HHKLPUXDNSHIJF-OAHLLOKOSA-N 1 0 324.390 4.651 20 30 DJEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccccc1OC ZINC000472448388 339372061 /nfs/dbraw/zinc/37/20/61/339372061.db2.gz HLHBYJAGKQBNQK-INIZCTEOSA-N 1 0 302.462 4.798 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000472445443 339372129 /nfs/dbraw/zinc/37/21/29/339372129.db2.gz FEFTWUMSQPOOHD-UHFFFAOYSA-N 1 0 324.390 5.000 20 30 DJEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000474080570 339401331 /nfs/dbraw/zinc/40/13/31/339401331.db2.gz LHXUABWBNVYBDI-QLOJAFMTSA-N 1 0 324.468 4.561 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000474102594 339402716 /nfs/dbraw/zinc/40/27/16/339402716.db2.gz BLHJKKNBOGQMBE-QWHCGFSZSA-N 1 0 308.356 4.855 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000474481110 339416964 /nfs/dbraw/zinc/41/69/64/339416964.db2.gz UFBSLQNGSJGZOJ-SCQRFTTHSA-N 1 0 324.390 4.966 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000475502174 339452933 /nfs/dbraw/zinc/45/29/33/339452933.db2.gz JRMYEWTXJXNVBC-LJQANCHMSA-N 1 0 311.400 4.558 20 30 DJEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000475512290 339453524 /nfs/dbraw/zinc/45/35/24/339453524.db2.gz YKVWWMRPBBEODR-GXTWGEPZSA-N 1 0 311.267 4.630 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(F)c(F)c1 ZINC000480701899 339583998 /nfs/dbraw/zinc/58/39/98/339583998.db2.gz UTXSPAMEGGHCPV-MOPGFXCFSA-N 1 0 317.354 4.998 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C#N)cc1 ZINC000481654366 339608767 /nfs/dbraw/zinc/60/87/67/339608767.db2.gz VETVHJOXDAVXAZ-QVKFZJNVSA-N 1 0 315.420 4.548 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2F)C1)c1cccc(C#N)c1 ZINC000481719755 339611012 /nfs/dbraw/zinc/61/10/12/339611012.db2.gz CYMGQXOBXFYMGH-JCGIZDLHSA-N 1 0 308.400 4.684 20 30 DJEDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481922513 339616728 /nfs/dbraw/zinc/61/67/28/339616728.db2.gz PEOWVEBINYXVKP-YCRPNKLZSA-N 1 0 320.436 4.685 20 30 DJEDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000487571580 339758021 /nfs/dbraw/zinc/75/80/21/339758021.db2.gz INYKELJUYSWMMT-RDJZCZTQSA-N 1 0 322.477 4.629 20 30 DJEDRO Cc1cc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)ccc1C#N ZINC000488007280 339768234 /nfs/dbraw/zinc/76/82/34/339768234.db2.gz IMUQZOQYNYXACR-UHFFFAOYSA-N 1 0 316.807 4.684 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(F)c(F)c1 ZINC000488040614 339768961 /nfs/dbraw/zinc/76/89/61/339768961.db2.gz GJDZAOGWMRDLFL-LJQANCHMSA-N 1 0 312.363 4.552 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000494836423 339961756 /nfs/dbraw/zinc/96/17/56/339961756.db2.gz JEFUKQYERIBUSB-UHFFFAOYSA-N 1 0 320.427 4.696 20 30 DJEDRO CC(C)CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000499608969 340040866 /nfs/dbraw/zinc/04/08/66/340040866.db2.gz HELWHMNAUCQBLO-QGZVFWFLSA-N 1 0 308.510 4.527 20 30 DJEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000500030322 340048934 /nfs/dbraw/zinc/04/89/34/340048934.db2.gz PKLDHNUPKRNVHN-OSFYOIPJSA-N 1 0 318.464 4.784 20 30 DJEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccs1 ZINC000500080916 340049799 /nfs/dbraw/zinc/04/97/99/340049799.db2.gz GGWVAMGKVWYMDY-LSJNQWAISA-N 1 0 310.466 4.803 20 30 DJEDRO N#CC1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC000501528446 340082657 /nfs/dbraw/zinc/08/26/57/340082657.db2.gz PPSXKZDDLRNJOP-UHFFFAOYSA-N 1 0 322.374 4.758 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000507255105 340215933 /nfs/dbraw/zinc/21/59/33/340215933.db2.gz YNZZTNGYJBBPNG-ZDUSSCGKSA-N 1 0 318.342 4.770 20 30 DJEDRO CCC(CC)[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000507329056 340217310 /nfs/dbraw/zinc/21/73/10/340217310.db2.gz VLMXZHRQODFLAA-UHFFFAOYSA-N 1 0 317.436 4.621 20 30 DJEDRO CCSCC[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507612835 340226345 /nfs/dbraw/zinc/22/63/45/340226345.db2.gz JNLFSPJQFARWMO-IVMQYODDSA-N 1 0 316.514 4.512 20 30 DJEDRO CCOc1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000507689874 340228325 /nfs/dbraw/zinc/22/83/25/340228325.db2.gz UZOHVRDJHBHASU-INIZCTEOSA-N 1 0 308.425 4.540 20 30 DJEDRO Cc1c(F)cccc1-c1ccc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000507695873 340228486 /nfs/dbraw/zinc/22/84/86/340228486.db2.gz XJBMOPXSLPGTKX-UHFFFAOYSA-N 1 0 312.388 4.520 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000507714309 340229269 /nfs/dbraw/zinc/22/92/69/340229269.db2.gz ONVFDIPFYUSBHM-UHFFFAOYSA-N 1 0 314.429 4.680 20 30 DJEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000508990086 340257205 /nfs/dbraw/zinc/25/72/05/340257205.db2.gz DFBUJPUNNGKWEU-LLVKDONJSA-N 1 0 300.265 4.614 20 30 DJEDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000510258551 340294331 /nfs/dbraw/zinc/29/43/31/340294331.db2.gz ZQNDRJAHKIUZQO-SJLPKXTDSA-N 1 0 314.473 4.798 20 30 DJEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000511104141 340320941 /nfs/dbraw/zinc/32/09/41/340320941.db2.gz ANTCFRGFODXPRH-INIZCTEOSA-N 1 0 304.865 4.677 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511813364 340338994 /nfs/dbraw/zinc/33/89/94/340338994.db2.gz FEZHYBIUYGPUBB-HOTGVXAUSA-N 1 0 324.390 4.871 20 30 DJEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511895667 340342162 /nfs/dbraw/zinc/34/21/62/340342162.db2.gz YEFVTTLVGDDJBY-AQNXPRMDSA-N 1 0 310.485 4.975 20 30 DJEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000512224472 340352988 /nfs/dbraw/zinc/35/29/88/340352988.db2.gz IQBZOARKXBDJSX-IEBWSBKVSA-N 1 0 314.473 4.675 20 30 DJEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(OC)cc1 ZINC000512283776 340355198 /nfs/dbraw/zinc/35/51/98/340355198.db2.gz UBGGNJXNCICKPL-YJYMSZOUSA-N 1 0 312.388 4.508 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(OC)cc1 ZINC000512283774 340355224 /nfs/dbraw/zinc/35/52/24/340355224.db2.gz UBGGNJXNCICKPL-DJJJIMSYSA-N 1 0 312.388 4.508 20 30 DJEDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C2CC2)cc1 ZINC000512621399 340369507 /nfs/dbraw/zinc/36/95/07/340369507.db2.gz XSVGPADTJAIAQA-XCLFUZPHSA-N 1 0 324.399 4.508 20 30 DJEDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512621502 340369533 /nfs/dbraw/zinc/36/95/33/340369533.db2.gz YTVGKYZTLYIQOR-ZIAGYGMSSA-N 1 0 312.388 4.508 20 30 DJEDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512621499 340369539 /nfs/dbraw/zinc/36/95/39/340369539.db2.gz YTVGKYZTLYIQOR-KBPBESRZSA-N 1 0 312.388 4.508 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512655316 340371288 /nfs/dbraw/zinc/37/12/88/340371288.db2.gz SXGWEOVZNWHXTB-DCPHZVHLSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@@H]([NH2+]CCCSc1ccccc1)c1ccc(C#N)cc1F ZINC000512654252 340371314 /nfs/dbraw/zinc/37/13/14/340371314.db2.gz KTVRGXIILFBYLC-CQSZACIVSA-N 1 0 314.429 4.530 20 30 DJEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000512665136 340371906 /nfs/dbraw/zinc/37/19/06/340371906.db2.gz DRIGBMXDHZGYSJ-KBPBESRZSA-N 1 0 314.429 4.529 20 30 DJEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819654 340396692 /nfs/dbraw/zinc/39/66/92/340396692.db2.gz ZVUSMHWZZPHPQN-PBHICJAKSA-N 1 0 300.446 4.697 20 30 DJEDRO C=C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000521252559 340484508 /nfs/dbraw/zinc/48/45/08/340484508.db2.gz MPFUOYXDQGEEDC-UHFFFAOYSA-N 1 0 313.363 4.516 20 30 DJEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)c1cccc(C#N)c1 ZINC000186846695 340516440 /nfs/dbraw/zinc/51/64/40/340516440.db2.gz MOJXIKRBTMFKRH-SUMWQHHRSA-N 1 0 318.342 4.555 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)c(F)c1 ZINC000521694913 340529068 /nfs/dbraw/zinc/52/90/68/340529068.db2.gz ASBKZONFAMWYQY-PMACEKPBSA-N 1 0 324.374 4.731 20 30 DJEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc(Cl)ccc1Cl ZINC000189472474 340536400 /nfs/dbraw/zinc/53/64/00/340536400.db2.gz QZBLXTJHBKLDEQ-VIFPVBQESA-N 1 0 311.237 4.777 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cc2F)cc1 ZINC000236943682 340666739 /nfs/dbraw/zinc/66/67/39/340666739.db2.gz MFGJRAOOERVMNK-IBGZPJMESA-N 1 0 317.379 4.771 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000237916737 340675103 /nfs/dbraw/zinc/67/51/03/340675103.db2.gz SETUYOSUYCQKLA-HXUWFJFHSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000037748669 340786450 /nfs/dbraw/zinc/78/64/50/340786450.db2.gz QSRDPWYYFHWXLE-NSHDSACASA-N 1 0 305.208 4.716 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000037748271 340786470 /nfs/dbraw/zinc/78/64/70/340786470.db2.gz AJGXYAYHMLHUFC-NSHDSACASA-N 1 0 305.208 4.716 20 30 DJEDRO N#CCSCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000538207527 340813306 /nfs/dbraw/zinc/81/33/06/340813306.db2.gz FTZAHVCBRXQMFF-KRWDZBQOSA-N 1 0 322.905 4.808 20 30 DJEDRO CCc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000539105893 340873705 /nfs/dbraw/zinc/87/37/05/340873705.db2.gz VRCMZPWHFNHGFS-UHFFFAOYSA-N 1 0 316.404 4.670 20 30 DJEDRO Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2c1C ZINC000539498157 340887702 /nfs/dbraw/zinc/88/77/02/340887702.db2.gz IWHUCZXLJUKRBR-HNNXBMFYSA-N 1 0 303.409 4.507 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000540151086 340917509 /nfs/dbraw/zinc/91/75/09/340917509.db2.gz NWBOANPGLVZSDR-YJBOKZPZSA-N 1 0 309.409 4.773 20 30 DJEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000540352141 340928103 /nfs/dbraw/zinc/92/81/03/340928103.db2.gz LVOXIQJLCFBFGC-INIZCTEOSA-N 1 0 311.425 4.501 20 30 DJEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000540429582 340931000 /nfs/dbraw/zinc/93/10/00/340931000.db2.gz FMLUXHPRRCKGHI-GOSISDBHSA-N 1 0 302.437 4.977 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000540522229 340934849 /nfs/dbraw/zinc/93/48/49/340934849.db2.gz XWGHTSUXMNTFII-XOKHGSTOSA-N 1 0 304.865 4.957 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000540605127 340938192 /nfs/dbraw/zinc/93/81/92/340938192.db2.gz CNGXVXHQAVKFNA-QWHCGFSZSA-N 1 0 318.342 4.989 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000540605826 340938305 /nfs/dbraw/zinc/93/83/05/340938305.db2.gz LJIGDPMAEDXQIT-HZPDHXFCSA-N 1 0 317.477 4.612 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000541555445 340974257 /nfs/dbraw/zinc/97/42/57/340974257.db2.gz FCQRNQJJEOTBPY-HUUCEWRRSA-N 1 0 315.404 4.808 20 30 DJEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)C#N ZINC000541595508 340976834 /nfs/dbraw/zinc/97/68/34/340976834.db2.gz AQKVFFAEHRHHGX-QGZVFWFLSA-N 1 0 312.482 4.870 20 30 DJEDRO C[C@H]([NH2+]CCC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000542555551 341013413 /nfs/dbraw/zinc/01/34/13/341013413.db2.gz GTKHWYMWDUFJMW-KRWDZBQOSA-N 1 0 306.453 4.736 20 30 DJEDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944085 341026919 /nfs/dbraw/zinc/02/69/19/341026919.db2.gz XECNVIROQNPRQE-QGZVFWFLSA-N 1 0 322.452 4.691 20 30 DJEDRO CCCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000130611426 341032847 /nfs/dbraw/zinc/03/28/47/341032847.db2.gz ZTJSPTYQMSKAMI-FQEVSTJZSA-N 1 0 308.425 4.610 20 30 DJEDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000544118383 341070856 /nfs/dbraw/zinc/07/08/56/341070856.db2.gz ZRUHSLNJRIKTAE-LJQANCHMSA-N 1 0 310.416 4.769 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(F)c1 ZINC000544118381 341070899 /nfs/dbraw/zinc/07/08/99/341070899.db2.gz ZRUHSLNJRIKTAE-IBGZPJMESA-N 1 0 310.416 4.769 20 30 DJEDRO Cc1ccccc1C([NH2+]CCC(C)(C)C#N)c1ccccc1C ZINC000544894512 341097675 /nfs/dbraw/zinc/09/76/75/341097675.db2.gz WOPYSSKVQNBGQP-UHFFFAOYSA-N 1 0 306.453 4.922 20 30 DJEDRO C=CCCC[N@@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000076735539 341213250 /nfs/dbraw/zinc/21/32/50/341213250.db2.gz WFODEIRXLPUDHG-UHFFFAOYSA-N 1 0 316.489 4.770 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170006 341287804 /nfs/dbraw/zinc/28/78/04/341287804.db2.gz FGTCWBVQYQJWIF-CJNGLKHVSA-N 1 0 322.374 4.674 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535959 341296751 /nfs/dbraw/zinc/29/67/51/341296751.db2.gz MUVUCOLQOPJPNF-LZLYRXPVSA-N 1 0 306.409 4.822 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544956 341297093 /nfs/dbraw/zinc/29/70/93/341297093.db2.gz RUYZSPHXEZZCAV-HZUJVAHNSA-N 1 0 315.420 4.568 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3C(F)(F)F)CC2)C1 ZINC000549865791 341305520 /nfs/dbraw/zinc/30/55/20/341305520.db2.gz DCQGZJGCMUQVBT-HIFRSBDPSA-N 1 0 322.374 4.577 20 30 DJEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C4CCC4)cc3)CC2)c1 ZINC000550170650 341311684 /nfs/dbraw/zinc/31/16/84/341311684.db2.gz ACIPWZOHIQPUEC-UHFFFAOYSA-N 1 0 302.421 4.605 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1 ZINC000550228141 341313193 /nfs/dbraw/zinc/31/31/93/341313193.db2.gz ZHMSPVQQNMZRCL-UHFFFAOYSA-N 1 0 309.434 4.756 20 30 DJEDRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1(CC#N)CC1 ZINC000550932954 341327310 /nfs/dbraw/zinc/32/73/10/341327310.db2.gz YXCYABJLTVSZDJ-OAHLLOKOSA-N 1 0 309.457 4.508 20 30 DJEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c2ccccc21 ZINC000551085346 341331257 /nfs/dbraw/zinc/33/12/57/341331257.db2.gz AZVBUUDGMRKOTI-ZDUSSCGKSA-N 1 0 322.358 4.840 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000551200449 341333776 /nfs/dbraw/zinc/33/37/76/341333776.db2.gz IYCFGJKHBAOEDD-KRWDZBQOSA-N 1 0 304.865 4.581 20 30 DJEDRO C[N@H+](CCCF)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551411090 341340840 /nfs/dbraw/zinc/34/08/40/341340840.db2.gz NXYYWGXFTFYTQQ-UHFFFAOYSA-N 1 0 317.248 4.516 20 30 DJEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C3CCCCC3)cc2)s1 ZINC000552060976 341366127 /nfs/dbraw/zinc/36/61/27/341366127.db2.gz SQPJVUGDXIITQM-UHFFFAOYSA-N 1 0 310.466 4.957 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccco1 ZINC000552068383 341367120 /nfs/dbraw/zinc/36/71/20/341367120.db2.gz UWWWFYIJGHYGPP-AWEZNQCLSA-N 1 0 309.331 4.537 20 30 DJEDRO COc1ccc([C@@H](C)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000552312932 341385709 /nfs/dbraw/zinc/38/57/09/341385709.db2.gz CFMRAJOFMRTQHJ-UWJYYQICSA-N 1 0 322.452 4.823 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000248851900 341388577 /nfs/dbraw/zinc/38/85/77/341388577.db2.gz OVWNQGPKHRLSBK-KURKYZTESA-N 1 0 310.466 4.704 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1 ZINC000088536498 341400422 /nfs/dbraw/zinc/40/04/22/341400422.db2.gz QIYXNTQIBGWQQR-OAQYLSRUSA-N 1 0 316.379 4.577 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc2cc(Cl)ccc2o1 ZINC000553813460 341436249 /nfs/dbraw/zinc/43/62/49/341436249.db2.gz FSPXEJYUOBKOSX-JTQLQIEISA-N 1 0 316.813 4.870 20 30 DJEDRO C[C@@H](CCSc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000554849389 341466562 /nfs/dbraw/zinc/46/65/62/341466562.db2.gz YUZCPVFQPNXXPB-HOTGVXAUSA-N 1 0 310.466 4.780 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)c2ccccc21 ZINC000556179671 341496427 /nfs/dbraw/zinc/49/64/27/341496427.db2.gz VSCNPZJFSZQEHH-ZDUSSCGKSA-N 1 0 322.358 4.840 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](CCC)c2ccsc2)cc1 ZINC000565849404 341540099 /nfs/dbraw/zinc/54/00/99/341540099.db2.gz LNAQUHDDQZCAHL-SFHVURJKSA-N 1 0 301.455 4.944 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc(C#N)cc1 ZINC000289160160 341606242 /nfs/dbraw/zinc/60/62/42/341606242.db2.gz GYBGKYVXPKCKIH-JLTOFOAXSA-N 1 0 315.420 4.768 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H]2CCCc3c(Cl)cccc32)cc1 ZINC000567856971 341637236 /nfs/dbraw/zinc/63/72/36/341637236.db2.gz WBJUCJQHCHENFL-IBGZPJMESA-N 1 0 310.828 4.573 20 30 DJEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000336865183 341808889 /nfs/dbraw/zinc/80/88/89/341808889.db2.gz UZDCCUYPLKKMJW-RDTXWAMCSA-N 1 0 308.425 4.824 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(COC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000181654402 525455349 /nfs/dbraw/zinc/45/53/49/525455349.db2.gz WIKPTZAMPCDDMC-INIZCTEOSA-N 1 0 322.452 4.724 20 30 DJEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000425508630 334952161 /nfs/dbraw/zinc/95/21/61/334952161.db2.gz HLGCFQVRRQIOSJ-UHFFFAOYSA-N 1 0 308.853 4.503 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)cc1 ZINC000563749713 334985582 /nfs/dbraw/zinc/98/55/82/334985582.db2.gz UOXGNSNDAAZYKB-IBGZPJMESA-N 1 0 310.466 4.835 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccco1 ZINC000286026347 335032062 /nfs/dbraw/zinc/03/20/62/335032062.db2.gz IYLYEMPBNHNGHX-BJLQDIEVSA-N 1 0 311.425 4.797 20 30 DJEDRO N#Cc1cccc(C2([NH2+][C@H]3CCSc4ccc(F)cc43)CC2)c1 ZINC000272310457 130019047 /nfs/dbraw/zinc/01/90/47/130019047.db2.gz TUAGPKPSNOYYHR-KRWDZBQOSA-N 1 0 324.424 4.513 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1[O-] ZINC000287863312 131303774 /nfs/dbraw/zinc/30/37/74/131303774.db2.gz XMZZPNAUVOYACU-YVEFUNNKSA-N 1 0 314.816 4.719 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000570755724 332811877 /nfs/dbraw/zinc/81/18/77/332811877.db2.gz CQHMQECEUHQHGH-MRXNPFEDSA-N 1 0 306.453 4.901 20 30 DJEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000556599878 331719277 /nfs/dbraw/zinc/71/92/77/331719277.db2.gz BDQYRKOMXDEHPS-INIZCTEOSA-N 1 0 316.448 4.777 20 30 DJEDRO CC1(C)C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000556602862 331719565 /nfs/dbraw/zinc/71/95/65/331719565.db2.gz CWERECFCXKFFOF-LJQANCHMSA-N 1 0 302.421 4.560 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000557330875 331783622 /nfs/dbraw/zinc/78/36/22/331783622.db2.gz RWXJINRJRRCCSK-MISYRCLQSA-N 1 0 308.400 4.684 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000557517897 331796719 /nfs/dbraw/zinc/79/67/19/331796719.db2.gz SJOFKMHILLLFKV-ZOBUZTSGSA-N 1 0 322.374 4.646 20 30 DJEDRO C[C@@H]([NH2+]CCCc1cccs1)c1ccc(C#N)cc1Cl ZINC000557636006 331804958 /nfs/dbraw/zinc/80/49/58/331804958.db2.gz MCFAEFRYLYREDK-GFCCVEGCSA-N 1 0 304.846 4.557 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000584142880 331840900 /nfs/dbraw/zinc/84/09/00/331840900.db2.gz XNNLOTNXTMMIIQ-SFTDATJTSA-N 1 0 304.437 4.841 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000558081271 331859807 /nfs/dbraw/zinc/85/98/07/331859807.db2.gz UUXGLUFBIKYKNR-XTXLOEGASA-N 1 0 320.411 4.611 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000558413979 331904296 /nfs/dbraw/zinc/90/42/96/331904296.db2.gz SNHNMWNMCALJKW-GOSISDBHSA-N 1 0 320.427 4.878 20 30 DJEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000409622344 332042263 /nfs/dbraw/zinc/04/22/63/332042263.db2.gz DLQIWJYCJGTVSF-UHFFFAOYSA-N 1 0 322.235 4.848 20 30 DJEDRO Cc1c([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000090664994 332091953 /nfs/dbraw/zinc/09/19/53/332091953.db2.gz ZJZSOHXQBGZODH-MAUKXSAKSA-N 1 0 323.396 4.599 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000090664807 332092113 /nfs/dbraw/zinc/09/21/13/332092113.db2.gz BSAJBYLLUXFAGV-MAUKXSAKSA-N 1 0 323.396 4.599 20 30 DJEDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665208 332092126 /nfs/dbraw/zinc/09/21/26/332092126.db2.gz TXUVHGSUKQTJFB-OXJNMPFZSA-N 1 0 308.425 4.781 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1F ZINC000090665906 332092469 /nfs/dbraw/zinc/09/24/69/332092469.db2.gz KICQEVSEISQSDN-RDTXWAMCSA-N 1 0 312.388 4.530 20 30 DJEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2c1 ZINC000410335567 332113816 /nfs/dbraw/zinc/11/38/16/332113816.db2.gz SIAFYBXQHMCELB-UHFFFAOYSA-N 1 0 315.420 4.517 20 30 DJEDRO N#CC1(CCC[N@@H+]2CCCC3(C2)CCCCCC3)CCOCC1 ZINC000410389310 332122530 /nfs/dbraw/zinc/12/25/30/332122530.db2.gz DPRBFKZLUCTWHX-UHFFFAOYSA-N 1 0 318.505 4.523 20 30 DJEDRO C=CCCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000448026093 332194365 /nfs/dbraw/zinc/19/43/65/332194365.db2.gz GWRXQPRGMKRUBQ-GOSISDBHSA-N 1 0 300.833 4.575 20 30 DJEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000448027363 332198299 /nfs/dbraw/zinc/19/82/99/332198299.db2.gz MQHGZCZEQDUJPK-SNVBAGLBSA-N 1 0 321.314 4.506 20 30 DJEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426062807 335098908 /nfs/dbraw/zinc/09/89/08/335098908.db2.gz YFKWMKGLWJGPDI-KSSFIOAISA-N 1 0 300.833 4.573 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000062422104 332224729 /nfs/dbraw/zinc/22/47/29/332224729.db2.gz SETUYOSUYCQKLA-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO CCc1ccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000236979031 332261610 /nfs/dbraw/zinc/26/16/10/332261610.db2.gz BUJOTUFBUZGTNT-KRWDZBQOSA-N 1 0 322.452 4.782 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc3ccccc3s1)CC2 ZINC000559877848 332288471 /nfs/dbraw/zinc/28/84/71/332288471.db2.gz OVAXRFUNXXZQOE-GOSISDBHSA-N 1 0 304.418 4.550 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc2ccccc2s1 ZINC000559879198 332289028 /nfs/dbraw/zinc/28/90/28/332289028.db2.gz ZQMAXLDNJUDCIN-IBGZPJMESA-N 1 0 318.445 4.940 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccc(C#N)cc1 ZINC000559879154 332289108 /nfs/dbraw/zinc/28/91/08/332289108.db2.gz ZIZGPPHDIYPMAZ-GOSISDBHSA-N 1 0 314.379 4.911 20 30 DJEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000583351948 332347070 /nfs/dbraw/zinc/34/70/70/332347070.db2.gz YTONNMRNZRBSFS-QRWLVFNGSA-N 1 0 320.436 4.684 20 30 DJEDRO N#CCCC[C@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000560561137 332358548 /nfs/dbraw/zinc/35/85/48/332358548.db2.gz DZBARRCIIGSBNJ-HCZHMGAMSA-N 1 0 308.400 4.864 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000560584134 332365392 /nfs/dbraw/zinc/36/53/92/332365392.db2.gz HZNZZUSZJCGECV-HEFCMCLBSA-N 1 0 308.400 4.684 20 30 DJEDRO N#Cc1ccccc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000560599416 332367600 /nfs/dbraw/zinc/36/76/00/332367600.db2.gz DURZBGWNLCCBCW-NRFANRHFSA-N 1 0 302.421 4.600 20 30 DJEDRO C=CC[NH+](CC=C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000560692861 332378899 /nfs/dbraw/zinc/37/88/99/332378899.db2.gz XRNHYNSOEQJEQF-UHFFFAOYSA-N 1 0 316.448 4.560 20 30 DJEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000237825547 332392885 /nfs/dbraw/zinc/39/28/85/332392885.db2.gz JYZGDUGFXDKMKL-OAQYLSRUSA-N 1 0 320.436 4.536 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2Cl ZINC000561132722 332414885 /nfs/dbraw/zinc/41/48/85/332414885.db2.gz SFWCXIVKHPTHDR-PMACEKPBSA-N 1 0 322.839 4.866 20 30 DJEDRO C[C@H](C[NH2+]CC1CCC(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000561957321 332522321 /nfs/dbraw/zinc/52/23/21/332522321.db2.gz PZNNHWJDJXMXFI-WLYUNCDWSA-N 1 0 324.390 4.728 20 30 DJEDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000569657231 332654962 /nfs/dbraw/zinc/65/49/62/332654962.db2.gz UPKLUCGSVSQHGL-ORAYPTAESA-N 1 0 310.828 4.858 20 30 DJEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444674468 332696483 /nfs/dbraw/zinc/69/64/83/332696483.db2.gz KWUUCMXEAMTZQJ-YOEHRIQHSA-N 1 0 322.880 4.726 20 30 DJEDRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000570235636 332728863 /nfs/dbraw/zinc/72/88/63/332728863.db2.gz LIOBDEUFTHICLX-RYUDHWBXSA-N 1 0 304.846 4.555 20 30 DJEDRO N#Cc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)ccc1F ZINC000176958900 332964413 /nfs/dbraw/zinc/96/44/13/332964413.db2.gz BSAMDCBVLDYZLI-UHFFFAOYSA-N 1 0 316.379 4.577 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)c2ccccc21 ZINC000580253330 333041700 /nfs/dbraw/zinc/04/17/00/333041700.db2.gz SABHQOHJCMTBBE-ZDUSSCGKSA-N 1 0 322.358 4.840 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000540170702 333135695 /nfs/dbraw/zinc/13/56/95/333135695.db2.gz TVKMRKGXZZVOBD-VXGBXAGGSA-N 1 0 304.434 4.873 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000180540419 333163005 /nfs/dbraw/zinc/16/30/05/333163005.db2.gz WPRZOTFAYAZAPF-KKSFZXQISA-N 1 0 320.436 4.626 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1cc2cc(Br)ccc2o1 ZINC000181683296 333171259 /nfs/dbraw/zinc/17/12/59/333171259.db2.gz ZSNGLIULWIRTLT-NSHDSACASA-N 1 0 321.218 4.540 20 30 DJEDRO N#CCC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000181938571 333173776 /nfs/dbraw/zinc/17/37/76/333173776.db2.gz OKADIZXFJRAOGV-KRWDZBQOSA-N 1 0 318.342 4.840 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043328 333175186 /nfs/dbraw/zinc/17/51/86/333175186.db2.gz WLDSWQIAAOCIDB-UWJYYQICSA-N 1 0 320.436 4.947 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccccc1OC ZINC000390348279 333270274 /nfs/dbraw/zinc/27/02/74/333270274.db2.gz XXSQXNHTKBGSKO-GOSISDBHSA-N 1 0 311.425 4.501 20 30 DJEDRO N#CCC[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000191460899 333280198 /nfs/dbraw/zinc/28/01/98/333280198.db2.gz SZQAJAMOUHFOFR-OAQYLSRUSA-N 1 0 320.436 4.610 20 30 DJEDRO C=CCC[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462176274 333340772 /nfs/dbraw/zinc/34/07/72/333340772.db2.gz NYLMKHDTAOHLCE-GOSISDBHSA-N 1 0 319.420 4.942 20 30 DJEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)ccc1C(F)(F)F ZINC000563157368 333400963 /nfs/dbraw/zinc/40/09/63/333400963.db2.gz IQUKVHJSDXQSLL-UHFFFAOYSA-N 1 0 310.363 4.530 20 30 DJEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000319880993 333414916 /nfs/dbraw/zinc/41/49/16/333414916.db2.gz UQONBWMYGQXBOR-JKSUJKDBSA-N 1 0 308.425 4.759 20 30 DJEDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000531696295 333546592 /nfs/dbraw/zinc/54/65/92/333546592.db2.gz FXBNZOHUMPPQRH-QWHCGFSZSA-N 1 0 314.429 4.831 20 30 DJEDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1F ZINC000531696291 333546688 /nfs/dbraw/zinc/54/66/88/333546688.db2.gz FXBNZOHUMPPQRH-CHWSQXEVSA-N 1 0 314.429 4.831 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531715408 333550151 /nfs/dbraw/zinc/55/01/51/333550151.db2.gz XVLPGRPLFBXFEX-GOSISDBHSA-N 1 0 313.828 4.682 20 30 DJEDRO N#CC1(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCCC1 ZINC000411317436 333654113 /nfs/dbraw/zinc/65/41/13/333654113.db2.gz ATYOVRYJGFZMCH-FQEVSTJZSA-N 1 0 319.452 4.625 20 30 DJEDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755670 334100720 /nfs/dbraw/zinc/10/07/20/334100720.db2.gz OCLZURYOMHWDCH-LEWJYISDSA-N 1 0 320.436 4.563 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000278923137 334103422 /nfs/dbraw/zinc/10/34/22/334103422.db2.gz WTXGTKISMGDUCC-ZDUSSCGKSA-N 1 0 310.388 4.659 20 30 DJEDRO CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C)cc1O ZINC000280095493 334114249 /nfs/dbraw/zinc/11/42/49/334114249.db2.gz MSQFJDFTUDWGBY-RBUKOAKNSA-N 1 0 308.425 4.786 20 30 DJEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc2ccccc21 ZINC000282043663 334130771 /nfs/dbraw/zinc/13/07/71/334130771.db2.gz RDEXOWVBZMTPGT-QGZVFWFLSA-N 1 0 322.452 4.591 20 30 DJEDRO C=CCC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000343586153 335179836 /nfs/dbraw/zinc/17/98/36/335179836.db2.gz PKEQCCQEVZTNNP-HNNXBMFYSA-N 1 0 308.347 4.606 20 30 DJEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1ccccc1 ZINC000292343402 334186920 /nfs/dbraw/zinc/18/69/20/334186920.db2.gz XBOZNJYAPSDLDF-SFHVURJKSA-N 1 0 314.473 4.559 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C#N)cc1 ZINC000340431008 334198399 /nfs/dbraw/zinc/19/83/99/334198399.db2.gz BIUYFQHVEFLCRE-UZLBHIALSA-N 1 0 303.409 4.644 20 30 DJEDRO N#CCCC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436708 334200855 /nfs/dbraw/zinc/20/08/55/334200855.db2.gz SWSODRSTDPFJOR-PMACEKPBSA-N 1 0 308.400 4.838 20 30 DJEDRO N#CCCC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000340436709 334200877 /nfs/dbraw/zinc/20/08/77/334200877.db2.gz SWSODRSTDPFJOR-UXHICEINSA-N 1 0 308.400 4.838 20 30 DJEDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340446409 334203380 /nfs/dbraw/zinc/20/33/80/334203380.db2.gz OENJXRGDXBUJMC-PMACEKPBSA-N 1 0 320.436 4.707 20 30 DJEDRO Cc1c([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)cnn1C(C)C ZINC000340447305 334204346 /nfs/dbraw/zinc/20/43/46/334204346.db2.gz PMKODQIDKCXCPD-UZLBHIALSA-N 1 0 324.472 4.858 20 30 DJEDRO N#CCCC[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccccc1 ZINC000340450374 334204747 /nfs/dbraw/zinc/20/47/47/334204747.db2.gz XXWGTLQVMRWPDV-CBNMVNINSA-N 1 0 304.437 4.957 20 30 DJEDRO COc1cccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000340456238 334207093 /nfs/dbraw/zinc/20/70/93/334207093.db2.gz WLERZWOASPPUSO-OXQOHEQNSA-N 1 0 308.425 4.781 20 30 DJEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)oc21 ZINC000296495741 334234563 /nfs/dbraw/zinc/23/45/63/334234563.db2.gz OVECCCRIZDXJMS-YCPHGPKFSA-N 1 0 312.413 4.564 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Oc2ccccc2)cn1 ZINC000296571356 334235110 /nfs/dbraw/zinc/23/51/10/334235110.db2.gz SXNRUKDTOCDQFP-ULQDDVLXSA-N 1 0 321.424 4.607 20 30 DJEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1C ZINC000303958508 334352318 /nfs/dbraw/zinc/35/23/18/334352318.db2.gz YKTUURXHVPMPDX-FQEVSTJZSA-N 1 0 308.400 4.651 20 30 DJEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCCCC#N ZINC000341856315 334485505 /nfs/dbraw/zinc/48/55/05/334485505.db2.gz VDPLHGXONMBVSQ-INIZCTEOSA-N 1 0 308.853 4.719 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000112525278 334717399 /nfs/dbraw/zinc/71/73/99/334717399.db2.gz JZUFOZFPCCPXFY-OLZOCXBDSA-N 1 0 314.816 4.632 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(OC)c1 ZINC000417368982 334764362 /nfs/dbraw/zinc/76/43/62/334764362.db2.gz QUVTZWCEDATCFL-RTWAWAEBSA-N 1 0 320.436 4.685 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2sccc21 ZINC000344135228 335220629 /nfs/dbraw/zinc/22/06/29/335220629.db2.gz PNZDBLLQOFFDEM-ZWKOTPCHSA-N 1 0 308.450 4.664 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2sccc21 ZINC000344135222 335220718 /nfs/dbraw/zinc/22/07/18/335220718.db2.gz PNZDBLLQOFFDEM-MSOLQXFVSA-N 1 0 308.450 4.664 20 30 DJEDRO Cc1oc2ccccc2c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000344138755 335220901 /nfs/dbraw/zinc/22/09/01/335220901.db2.gz TYBWGPAQVNNJIX-FQEVSTJZSA-N 1 0 316.404 4.780 20 30 DJEDRO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000344138783 335221093 /nfs/dbraw/zinc/22/10/93/335221093.db2.gz TYBWGPAQVNNJIX-HXUWFJFHSA-N 1 0 316.404 4.780 20 30 DJEDRO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cc2cccnc12 ZINC000344300060 335238173 /nfs/dbraw/zinc/23/81/73/335238173.db2.gz ICHOBXSQGKKBRS-HXUWFJFHSA-N 1 0 315.420 4.678 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000345017195 335291578 /nfs/dbraw/zinc/29/15/78/335291578.db2.gz ISUQHPSGOHJVQT-MRXNPFEDSA-N 1 0 308.347 4.831 20 30 DJEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCCC(C)(C)C#N ZINC000444781814 338488399 /nfs/dbraw/zinc/48/83/99/338488399.db2.gz PLOJSUOCZVSJRR-OAHLLOKOSA-N 1 0 312.379 4.908 20 30 DJEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(Cl)ccc1OC ZINC000348215347 335562072 /nfs/dbraw/zinc/56/20/72/335562072.db2.gz MJPZZAZJNKDGSP-OAHLLOKOSA-N 1 0 308.853 4.719 20 30 DJEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nc(-c2ccccc2)cs1 ZINC000348246733 335567330 /nfs/dbraw/zinc/56/73/30/335567330.db2.gz SHTJEPSJQHYAJH-AWEZNQCLSA-N 1 0 313.470 4.791 20 30 DJEDRO Cc1ccc2[nH]c(C[NH2+][C@@H](CCC#N)c3ccccc3)cc2c1C ZINC000349644218 335687953 /nfs/dbraw/zinc/68/79/53/335687953.db2.gz HIZAMFXWGJSORG-FQEVSTJZSA-N 1 0 317.436 4.919 20 30 DJEDRO C[C@H](Cc1ccsc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000535784962 335768828 /nfs/dbraw/zinc/76/88/28/335768828.db2.gz HSWODEHHTDVJDO-PBPGXSGUSA-N 1 0 324.493 4.673 20 30 DJEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000532193094 335913632 /nfs/dbraw/zinc/91/36/32/335913632.db2.gz OLTDLXCRTXTXNY-IRXDYDNUSA-N 1 0 313.441 4.687 20 30 DJEDRO N#CCC[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1 ZINC000352761328 336233418 /nfs/dbraw/zinc/23/34/18/336233418.db2.gz WBULVNHJYBDCPG-UEKDZROGSA-N 1 0 312.363 4.613 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532374114 336243867 /nfs/dbraw/zinc/24/38/67/336243867.db2.gz FTYRCVPKHVOREP-UHFFFAOYSA-N 1 0 306.453 4.816 20 30 DJEDRO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2cc(F)ccc2[nH+]1 ZINC000301663190 336321612 /nfs/dbraw/zinc/32/16/12/336321612.db2.gz KHHPNJRUJBXNFR-ZDUSSCGKSA-N 1 0 305.356 4.727 20 30 DJEDRO C[C@@H](C[N@H+](C)Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000514100037 336323447 /nfs/dbraw/zinc/32/34/47/336323447.db2.gz SQCZTLUNAXWUST-SFHVURJKSA-N 1 0 322.452 4.605 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCSc3c(F)cccc31)CC2 ZINC000353259290 336408500 /nfs/dbraw/zinc/40/85/00/336408500.db2.gz DVPGRISDRUDELM-ZWKOTPCHSA-N 1 0 324.424 4.511 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1F ZINC000353280083 336409828 /nfs/dbraw/zinc/40/98/28/336409828.db2.gz ZTEUEBDNWMURDT-OALUTQOASA-N 1 0 312.363 4.565 20 30 DJEDRO COc1cc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)ccc1C#N ZINC000353623213 336429474 /nfs/dbraw/zinc/42/94/74/336429474.db2.gz OIJJEKNXYAFWMG-FQEVSTJZSA-N 1 0 320.436 4.588 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000358343684 336625004 /nfs/dbraw/zinc/62/50/04/336625004.db2.gz SYRGEFASFBBAAE-OALUTQOASA-N 1 0 310.828 4.962 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026064 336654013 /nfs/dbraw/zinc/65/40/13/336654013.db2.gz DSPMLDZLFVJQRA-PMACEKPBSA-N 1 0 308.400 4.816 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026071 336654019 /nfs/dbraw/zinc/65/40/19/336654019.db2.gz DSPMLDZLFVJQRA-VQTJNVASSA-N 1 0 308.400 4.816 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Cl)c1F ZINC000583144066 337245546 /nfs/dbraw/zinc/24/55/46/337245546.db2.gz NSTVWCVICREUQP-KRWDZBQOSA-N 1 0 316.807 4.786 20 30 DJEDRO CC(C)c1ccc(CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000583825139 337337272 /nfs/dbraw/zinc/33/72/72/337337272.db2.gz DRGICLXIAVHARB-TZIWHRDSSA-N 1 0 310.485 4.757 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000248740899 337567128 /nfs/dbraw/zinc/56/71/28/337567128.db2.gz FBRGAZSEWFZLPB-KYOSRNDESA-N 1 0 306.862 4.549 20 30 DJEDRO C[C@H]([NH2+][C@H](CC(F)F)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000421866495 337656679 /nfs/dbraw/zinc/65/66/79/337656679.db2.gz ALOYWGHBCKDUNQ-YVEFUNNKSA-N 1 0 318.342 4.744 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000421866492 337656697 /nfs/dbraw/zinc/65/66/97/337656697.db2.gz ALOYWGHBCKDUNQ-PXAZEXFGSA-N 1 0 318.342 4.744 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2ccccc2s1 ZINC000527484603 337744428 /nfs/dbraw/zinc/74/44/28/337744428.db2.gz PBBZEEWHZLUDRS-CQSZACIVSA-N 1 0 306.434 4.818 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)s1 ZINC000537298110 337929294 /nfs/dbraw/zinc/92/92/94/337929294.db2.gz AGGRGKQSXYZNQM-CQSZACIVSA-N 1 0 323.248 4.704 20 30 DJEDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000537305127 337929978 /nfs/dbraw/zinc/92/99/78/337929978.db2.gz CTOXEQMIXREFPX-CQSZACIVSA-N 1 0 310.828 4.594 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000537406621 337933683 /nfs/dbraw/zinc/93/36/83/337933683.db2.gz GPPQXNCDGROTKE-CQSZACIVSA-N 1 0 304.368 4.701 20 30 DJEDRO CC1(C)CC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)c3cccc1c32 ZINC000537384434 337934370 /nfs/dbraw/zinc/93/43/70/337934370.db2.gz RQGANHJQEUYBCJ-FXAWDEMLSA-N 1 0 316.448 4.948 20 30 DJEDRO C[C@H]([NH2+]C1CC(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000315392435 337986069 /nfs/dbraw/zinc/98/60/69/337986069.db2.gz FQWYFKNXJYXACT-IGEOTXOUSA-N 1 0 310.828 4.808 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccco1 ZINC000516308474 338009516 /nfs/dbraw/zinc/00/95/16/338009516.db2.gz PSWBSJWNXNVION-OAHLLOKOSA-N 1 0 318.486 4.873 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314490 338026504 /nfs/dbraw/zinc/02/65/04/338026504.db2.gz XOTQXZGDBUQZIK-HNAYVOBHSA-N 1 0 308.400 4.665 20 30 DJEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000426348819 338028391 /nfs/dbraw/zinc/02/83/91/338028391.db2.gz SEGHRHMOURMDER-VBKZILBWSA-N 1 0 308.400 4.734 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc2ccccc21 ZINC000428308230 338046508 /nfs/dbraw/zinc/04/65/08/338046508.db2.gz YPCSFWXIPYTDCW-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO CCSc1ccc([C@H](C)NCc2cccc(F)c2C#N)cc1 ZINC000428312666 338046794 /nfs/dbraw/zinc/04/67/94/338046794.db2.gz GBBUDXHZDDOZJU-ZDUSSCGKSA-N 1 0 314.429 4.660 20 30 DJEDRO CCSc1ccc([C@@H](C)NCc2cccc(F)c2C#N)cc1 ZINC000428312665 338046832 /nfs/dbraw/zinc/04/68/32/338046832.db2.gz GBBUDXHZDDOZJU-CYBMUJFWSA-N 1 0 314.429 4.660 20 30 DJEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000428440175 338051562 /nfs/dbraw/zinc/05/15/62/338051562.db2.gz RVOWCPVQMLEBJE-CHWSQXEVSA-N 1 0 304.434 4.640 20 30 DJEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000429675274 338087062 /nfs/dbraw/zinc/08/70/62/338087062.db2.gz XBQXSKNJGMZGFP-ZWKOTPCHSA-N 1 0 316.514 4.642 20 30 DJEDRO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430724619 338112453 /nfs/dbraw/zinc/11/24/53/338112453.db2.gz ORCLRFHBNXBSJQ-KRWDZBQOSA-N 1 0 304.865 4.581 20 30 DJEDRO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430724620 338112462 /nfs/dbraw/zinc/11/24/62/338112462.db2.gz ORCLRFHBNXBSJQ-QGZVFWFLSA-N 1 0 304.865 4.581 20 30 DJEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000430736444 338112762 /nfs/dbraw/zinc/11/27/62/338112762.db2.gz DNCKLMYQYWJEHV-HZPDHXFCSA-N 1 0 322.374 4.625 20 30 DJEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000430745277 338113247 /nfs/dbraw/zinc/11/32/47/338113247.db2.gz WLQNJCZNLQUFFQ-QGZVFWFLSA-N 1 0 310.466 4.624 20 30 DJEDRO CCc1ccc(CC[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433008817 338176005 /nfs/dbraw/zinc/17/60/05/338176005.db2.gz FDJDSWVKXUESRY-NRFANRHFSA-N 1 0 306.453 4.816 20 30 DJEDRO CC(C)Oc1ccccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433020106 338176577 /nfs/dbraw/zinc/17/65/77/338176577.db2.gz BJXKSIFIPCIYIN-FQEVSTJZSA-N 1 0 322.452 4.999 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000436308077 338268269 /nfs/dbraw/zinc/26/82/69/338268269.db2.gz SNBDRJHOSVQEBA-QIJZBDPFSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000436313749 338268655 /nfs/dbraw/zinc/26/86/55/338268655.db2.gz XMCBPJKOVPFWQH-WQGACYEGSA-N 1 0 314.256 4.625 20 30 DJEDRO N#CCCCOc1cccc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000438346685 338340561 /nfs/dbraw/zinc/34/05/61/338340561.db2.gz PYHXOTGQTCHMLS-UHFFFAOYSA-N 1 0 312.457 4.525 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)C1CC1 ZINC000438982695 338357677 /nfs/dbraw/zinc/35/76/77/338357677.db2.gz FVCSLCYFLBLDPM-IBGZPJMESA-N 1 0 308.425 4.708 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1coc(-c2ccc(C)cc2)n1)C1CC1 ZINC000439004001 338358154 /nfs/dbraw/zinc/35/81/54/338358154.db2.gz QOXZNOUJUKWBOK-IBGZPJMESA-N 1 0 310.441 4.527 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)c(Cl)c1 ZINC000439430099 338369030 /nfs/dbraw/zinc/36/90/30/338369030.db2.gz HSPSYINQAWGAMD-LJQANCHMSA-N 1 0 310.828 4.843 20 30 DJEDRO COc1cc(C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)ccc1C#N ZINC000440608714 338392221 /nfs/dbraw/zinc/39/22/21/338392221.db2.gz FGUWSDJFWNLLIY-HXUWFJFHSA-N 1 0 322.452 4.752 20 30 DJEDRO Cc1ccc(Oc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442780220 338430700 /nfs/dbraw/zinc/43/07/00/338430700.db2.gz MNGCSSIGVGMBOI-FUHWJXTLSA-N 1 0 306.409 4.569 20 30 DJEDRO C=C(C)[C@@H]([NH2+]C1CCC(C(F)F)CC1)c1ccc(F)c(F)c1 ZINC000442847694 338434472 /nfs/dbraw/zinc/43/44/72/338434472.db2.gz QWHWZMVQMUFDIP-IJGSQOGDSA-N 1 0 315.354 4.996 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCC(c3ccc(F)cc3)CC2)C1 ZINC000446758132 338535319 /nfs/dbraw/zinc/53/53/19/338535319.db2.gz GDSGPJFXGIVWEC-LEDLJOFTSA-N 1 0 300.421 4.524 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000446811883 338536473 /nfs/dbraw/zinc/53/64/73/338536473.db2.gz FDCMGUNHPOISGY-BBRMVZONSA-N 1 0 324.390 4.655 20 30 DJEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447511184 338553273 /nfs/dbraw/zinc/55/32/73/338553273.db2.gz SFNSQUXFQFXYNM-KZULUSFZSA-N 1 0 300.352 4.638 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1 ZINC000447525660 338553979 /nfs/dbraw/zinc/55/39/79/338553979.db2.gz AQAANQCBBZJRDM-RTBURBONSA-N 1 0 310.828 4.940 20 30 DJEDRO CC[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530801 338554429 /nfs/dbraw/zinc/55/44/29/338554429.db2.gz NSBYEWDHEKNPOP-NRFANRHFSA-N 1 0 321.468 4.516 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccccc1OC(C)C)c1ccc(C#N)cc1 ZINC000447531883 338554660 /nfs/dbraw/zinc/55/46/60/338554660.db2.gz UAHRQPVYHWXELT-IBGZPJMESA-N 1 0 308.425 4.586 20 30 DJEDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1OC)c1ccc(C#N)cc1 ZINC000447539458 338555352 /nfs/dbraw/zinc/55/53/52/338555352.db2.gz ALTAVYOLBOVNBV-GUYCJALGSA-N 1 0 312.388 4.508 20 30 DJEDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447541324 338555615 /nfs/dbraw/zinc/55/56/15/338555615.db2.gz LYSBUEVWWLAFFC-HRAATJIYSA-N 1 0 322.452 4.629 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1C(F)(F)F ZINC000449098710 338593229 /nfs/dbraw/zinc/59/32/29/338593229.db2.gz QTQNQWPIWYYFMO-FUJMWEONSA-N 1 0 310.363 4.828 20 30 DJEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449143950 338596648 /nfs/dbraw/zinc/59/66/48/338596648.db2.gz ROETXOGPZGQTAC-WWDZGPRUSA-N 1 0 304.865 4.723 20 30 DJEDRO CCC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(F)cc1F ZINC000449185110 338600376 /nfs/dbraw/zinc/60/03/76/338600376.db2.gz GANVBNNUTCDDGY-ZCDVPAHGSA-N 1 0 306.400 4.868 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000449445188 338624615 /nfs/dbraw/zinc/62/46/15/338624615.db2.gz HJOZGLZGEUOIKM-MGHWNKPDSA-N 1 0 302.849 4.648 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000449771484 338651512 /nfs/dbraw/zinc/65/15/12/338651512.db2.gz JVFPQQQBJFIEGN-WBVHZDCISA-N 1 0 304.865 4.896 20 30 DJEDRO N#CCCC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453192220 338805471 /nfs/dbraw/zinc/80/54/71/338805471.db2.gz JEKKXXPFGYYNGW-MRXNPFEDSA-N 1 0 304.846 4.579 20 30 DJEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)CC2 ZINC000453278926 338817755 /nfs/dbraw/zinc/81/77/55/338817755.db2.gz CXUQHVCXXUVWOX-XIRDDKMYSA-N 1 0 322.374 4.646 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000453289194 338819301 /nfs/dbraw/zinc/81/93/01/338819301.db2.gz ISOQGYHZNFCPRN-ZIBATOQPSA-N 1 0 309.240 4.653 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)CCCc1ccccc1 ZINC000462742198 339086367 /nfs/dbraw/zinc/08/63/67/339086367.db2.gz HMYZFZOQYFTXTJ-UHFFFAOYSA-N 1 0 300.490 4.955 20 30 DJEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462805806 339090105 /nfs/dbraw/zinc/09/01/05/339090105.db2.gz IOKWCFSFBSZGLC-CHWSQXEVSA-N 1 0 304.434 4.955 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000462842220 339093881 /nfs/dbraw/zinc/09/38/81/339093881.db2.gz XMIFERHVXSUJOJ-CKJXQJPGSA-N 1 0 304.437 4.923 20 30 DJEDRO CC(C)(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000463239240 339111122 /nfs/dbraw/zinc/11/11/22/339111122.db2.gz VBMADKFRNDCPHQ-RVSPLBMKSA-N 1 0 306.400 4.724 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C1 ZINC000463239557 339111248 /nfs/dbraw/zinc/11/12/48/339111248.db2.gz ZWBVTGRHFXBSOH-SWLSCSKDSA-N 1 0 311.256 4.598 20 30 DJEDRO CC([NH2+][C@@H]1CCC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245441 339111653 /nfs/dbraw/zinc/11/16/53/339111653.db2.gz CHBVPGVTTYQQLH-FXAWDEMLSA-N 1 0 304.437 4.622 20 30 DJEDRO CC([NH2+][C@@H]1CCC[C@@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000463245444 339111703 /nfs/dbraw/zinc/11/17/03/339111703.db2.gz CHBVPGVTTYQQLH-YLJYHZDGSA-N 1 0 304.437 4.622 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000463288820 339113536 /nfs/dbraw/zinc/11/35/36/339113536.db2.gz QDGMLEPOCUFASN-ZETOZRRWSA-N 1 0 309.240 4.653 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293734 339113827 /nfs/dbraw/zinc/11/38/27/339113827.db2.gz MOTZJKXCNHFICA-ZWKOTPCHSA-N 1 0 312.457 4.570 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000463298071 339113906 /nfs/dbraw/zinc/11/39/06/339113906.db2.gz UJIAGSUCRZEFDF-AXFHLTTASA-N 1 0 315.219 4.865 20 30 DJEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1c(Cl)cccc1Cl ZINC000463303227 339114132 /nfs/dbraw/zinc/11/41/32/339114132.db2.gz QMDMAARNVKSYPN-FRRDWIJNSA-N 1 0 311.256 4.769 20 30 DJEDRO COc1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)c1 ZINC000463304256 339114352 /nfs/dbraw/zinc/11/43/52/339114352.db2.gz VJWBAFFFECZROL-XLIONFOSSA-N 1 0 320.436 4.534 20 30 DJEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760410 339151706 /nfs/dbraw/zinc/15/17/06/339151706.db2.gz GZKRNSGMGHBDCY-AEFFLSMTSA-N 1 0 322.477 4.733 20 30 DJEDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000464787079 339153643 /nfs/dbraw/zinc/15/36/43/339153643.db2.gz WQNYNRYAUDFUGZ-LJQANCHMSA-N 1 0 322.477 4.553 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000464874588 339159678 /nfs/dbraw/zinc/15/96/78/339159678.db2.gz BPLXODIPUXZUSX-UHFFFAOYSA-N 1 0 316.464 4.943 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464874821 339159778 /nfs/dbraw/zinc/15/97/78/339159778.db2.gz KGCWXNFRVIUDEK-UHFFFAOYSA-N 1 0 300.421 4.635 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(SC)cc2)c1 ZINC000466412541 339203307 /nfs/dbraw/zinc/20/33/07/339203307.db2.gz RUURWAZHWHUSQH-HNNXBMFYSA-N 1 0 313.466 4.824 20 30 DJEDRO CCC[N@H+](CCCSCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000466721305 339214256 /nfs/dbraw/zinc/21/42/56/339214256.db2.gz UFHXSGKCQMMDQW-HNNXBMFYSA-N 1 0 316.470 4.853 20 30 DJEDRO N#CCSCCC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000466726791 339214423 /nfs/dbraw/zinc/21/44/23/339214423.db2.gz FBAQBRNBMPAXMN-UHFFFAOYSA-N 1 0 322.905 4.731 20 30 DJEDRO CCCCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000466915876 339221305 /nfs/dbraw/zinc/22/13/05/339221305.db2.gz NVFUPBAMAUOWFL-UHFFFAOYSA-N 1 0 322.880 4.938 20 30 DJEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000467376103 339235316 /nfs/dbraw/zinc/23/53/16/339235316.db2.gz IMTHBTBDXAVZHP-PWIZWCRZSA-N 1 0 319.452 4.639 20 30 DJEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000467409886 339236923 /nfs/dbraw/zinc/23/69/23/339236923.db2.gz BHBFTCWYMCNCCY-OCCSQVGLSA-N 1 0 301.352 4.633 20 30 DJEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467429801 339238026 /nfs/dbraw/zinc/23/80/26/339238026.db2.gz NFSUGDANKZWKQT-HNNXBMFYSA-N 1 0 304.393 4.506 20 30 DJEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000467438026 339238610 /nfs/dbraw/zinc/23/86/10/339238610.db2.gz YGMIZVYTOQRTOY-AWEZNQCLSA-N 1 0 306.434 4.666 20 30 DJEDRO N#Cc1ccc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469445453 339289508 /nfs/dbraw/zinc/28/95/08/339289508.db2.gz BZLUELRYBYNTBB-UHFFFAOYSA-N 1 0 324.374 4.516 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000470545064 339321913 /nfs/dbraw/zinc/32/19/13/339321913.db2.gz BGKUUGIJTGONOF-UHFFFAOYSA-N 1 0 320.427 4.549 20 30 DJEDRO N#Cc1ccc(C[N@@H+](Cc2cccc(C(F)F)c2)C2CC2)cc1 ZINC000470717599 339325835 /nfs/dbraw/zinc/32/58/35/339325835.db2.gz LGVJYWKCCMFRIN-UHFFFAOYSA-N 1 0 312.363 4.660 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000471606613 339349271 /nfs/dbraw/zinc/34/92/71/339349271.db2.gz OIPQYUNDIBSKGX-NSISKUIASA-N 1 0 324.855 4.906 20 30 DJEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471621795 339349750 /nfs/dbraw/zinc/34/97/50/339349750.db2.gz UIDHARHBOCLVDA-KCXAZCMYSA-N 1 0 310.363 4.684 20 30 DJEDRO CC(C)(C#N)CCC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000471717187 339352136 /nfs/dbraw/zinc/35/21/36/339352136.db2.gz YGULVZCKPJSNHL-OAQYLSRUSA-N 1 0 318.464 4.964 20 30 DJEDRO CCN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000472126187 339363585 /nfs/dbraw/zinc/36/35/85/339363585.db2.gz MNRTUUIIJBUDHI-RBUKOAKNSA-N 1 0 319.452 4.626 20 30 DJEDRO CC(C)(C#N)CCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000472426782 339371693 /nfs/dbraw/zinc/37/16/93/339371693.db2.gz AYOHKGNQXSVLNO-UHFFFAOYSA-N 1 0 302.437 4.900 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000479391006 339532789 /nfs/dbraw/zinc/53/27/89/339532789.db2.gz MDJJTWBQZMUPMT-STQMWFEESA-N 1 0 311.267 4.630 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(C)c(F)c1)c1ccc(F)c(F)c1 ZINC000479421175 339534278 /nfs/dbraw/zinc/53/42/78/339534278.db2.gz JDEYWYKESRFWAZ-GOSISDBHSA-N 1 0 305.343 4.819 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(F)c(F)c1 ZINC000479420186 339534280 /nfs/dbraw/zinc/53/42/80/339534280.db2.gz IHMGBWRDFHFNIG-GOSISDBHSA-N 1 0 312.363 4.853 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000479469468 339536828 /nfs/dbraw/zinc/53/68/28/339536828.db2.gz WPNPDHSNAWHFBF-BUXKBTBVSA-N 1 0 312.363 4.565 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1OCC ZINC000482862934 339644907 /nfs/dbraw/zinc/64/49/07/339644907.db2.gz FFYYDTJBJSQTGE-MRXNPFEDSA-N 1 0 311.425 4.501 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000482896746 339646421 /nfs/dbraw/zinc/64/64/21/339646421.db2.gz UJHNWVYZGSWXJV-IBGZPJMESA-N 1 0 311.425 4.501 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000484074785 339680636 /nfs/dbraw/zinc/68/06/36/339680636.db2.gz QIKCCMJKEPIBQV-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)cc1 ZINC000489051347 339800806 /nfs/dbraw/zinc/80/08/06/339800806.db2.gz HKZHRLLJTQHAPB-OAQYLSRUSA-N 1 0 307.437 4.801 20 30 DJEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000490356967 339831111 /nfs/dbraw/zinc/83/11/11/339831111.db2.gz ZQKRFRHNQPCZGG-VLIAUNLRSA-N 1 0 308.400 4.734 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1nc(CCC)cs1)c1ccccc1 ZINC000494163497 339942480 /nfs/dbraw/zinc/94/24/80/339942480.db2.gz MRMNAGJACPBTMN-KRWDZBQOSA-N 1 0 300.471 4.893 20 30 DJEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1F)CC2 ZINC000495147567 339976256 /nfs/dbraw/zinc/97/62/56/339976256.db2.gz QHJREQSWIYBLOL-HXUWFJFHSA-N 1 0 308.400 4.598 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(F)c(F)c1 ZINC000499633617 340041813 /nfs/dbraw/zinc/04/18/13/340041813.db2.gz HGVJAWVCISRVMX-HXUWFJFHSA-N 1 0 324.374 4.920 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000500244653 340053902 /nfs/dbraw/zinc/05/39/02/340053902.db2.gz RIDGKTUPNWKSAO-FQEVSTJZSA-N 1 0 311.400 4.558 20 30 DJEDRO Cc1cccc(-c2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)c1 ZINC000500749161 340066457 /nfs/dbraw/zinc/06/64/57/340066457.db2.gz MZWIXPUJGDQZMP-UHFFFAOYSA-N 1 0 318.445 4.885 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000502561149 340107786 /nfs/dbraw/zinc/10/77/86/340107786.db2.gz BBSLFKKHIUJRQJ-SFHVURJKSA-N 1 0 316.807 4.838 20 30 DJEDRO N#CCCCC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505493338 340169583 /nfs/dbraw/zinc/16/95/83/340169583.db2.gz BWWVODDUFXFLAW-UHFFFAOYSA-N 1 0 310.363 4.758 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000506046780 340184242 /nfs/dbraw/zinc/18/42/42/340184242.db2.gz CCDCTLHQBXIAPG-UHFFFAOYSA-N 1 0 306.409 4.605 20 30 DJEDRO CC(C)(CCC#N)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000506327918 340192394 /nfs/dbraw/zinc/19/23/94/340192394.db2.gz XFVGPNTVMOQUSV-NRFANRHFSA-N 1 0 318.464 4.964 20 30 DJEDRO CC(C)(CCC#N)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000506601651 340197536 /nfs/dbraw/zinc/19/75/36/340197536.db2.gz LUMOHUOXFWYFJN-UHFFFAOYSA-N 1 0 324.390 5.000 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000506633357 340198171 /nfs/dbraw/zinc/19/81/71/340198171.db2.gz PMBHRHDXCHGOLW-IBGZPJMESA-N 1 0 313.828 4.682 20 30 DJEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000507204169 340213300 /nfs/dbraw/zinc/21/33/00/340213300.db2.gz QIQQHQJDTPBMAV-ZDUSSCGKSA-N 1 0 318.342 4.770 20 30 DJEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC000507242208 340215238 /nfs/dbraw/zinc/21/52/38/340215238.db2.gz KJQFEOLMTOJJCZ-UHFFFAOYSA-N 1 0 312.416 4.857 20 30 DJEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC000507913046 340235758 /nfs/dbraw/zinc/23/57/58/340235758.db2.gz ITZRDERBTOTKHV-LBPRGKRZSA-N 1 0 319.235 4.586 20 30 DJEDRO CC[N@H+](Cc1cccc2[nH]ccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000508602479 340247606 /nfs/dbraw/zinc/24/76/06/340247606.db2.gz DWQAYYZMFAOKMR-OAHLLOKOSA-N 1 0 303.409 4.623 20 30 DJEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000508968574 340256450 /nfs/dbraw/zinc/25/64/50/340256450.db2.gz XVHDPXBWOVVBIT-INIZCTEOSA-N 1 0 308.425 4.556 20 30 DJEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000509035786 340259129 /nfs/dbraw/zinc/25/91/29/340259129.db2.gz WXQUDDMNJLKQBF-HNNXBMFYSA-N 1 0 303.446 4.633 20 30 DJEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000510258544 340294329 /nfs/dbraw/zinc/29/43/29/340294329.db2.gz ZQNDRJAHKIUZQO-AEFFLSMTSA-N 1 0 314.473 4.798 20 30 DJEDRO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000510654488 340305129 /nfs/dbraw/zinc/30/51/29/340305129.db2.gz YGJBXHIHWWVACK-KGLIPLIRSA-N 1 0 314.379 4.508 20 30 DJEDRO CC(C)(C#N)CCC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511071752 340319900 /nfs/dbraw/zinc/31/99/00/340319900.db2.gz BSQQXVFEQZEHDH-GOSISDBHSA-N 1 0 320.427 4.878 20 30 DJEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511813363 340338989 /nfs/dbraw/zinc/33/89/89/340338989.db2.gz FEZHYBIUYGPUBB-CVEARBPZSA-N 1 0 324.390 4.871 20 30 DJEDRO N#CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511842187 340339874 /nfs/dbraw/zinc/33/98/74/340339874.db2.gz GEIAUVWGQZFKDU-BHDDXSALSA-N 1 0 316.448 4.521 20 30 DJEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512288094 340355665 /nfs/dbraw/zinc/35/56/65/340355665.db2.gz MAGGRAKZJIIZIV-PJSUUKDQSA-N 1 0 308.400 4.672 20 30 DJEDRO C=C(C)C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000512390049 340360132 /nfs/dbraw/zinc/36/01/32/340360132.db2.gz XRNCTDKYNGMLSK-UHFFFAOYSA-N 1 0 313.253 4.783 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)oc3ccccc32)cc1 ZINC000512537242 340366070 /nfs/dbraw/zinc/36/60/70/340366070.db2.gz PGWUKQSLGBWGJE-UHFFFAOYSA-N 1 0 307.393 4.596 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(SCC)c2)cc1 ZINC000512573792 340367541 /nfs/dbraw/zinc/36/75/41/340367541.db2.gz OGHXRFFIWAGYMZ-UHFFFAOYSA-N 1 0 313.466 4.653 20 30 DJEDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)s1 ZINC000512616380 340369275 /nfs/dbraw/zinc/36/92/75/340369275.db2.gz ASWFGRUYEDCQAJ-NEPJUHHUSA-N 1 0 302.418 4.788 20 30 DJEDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C2CC2)cc1 ZINC000512621398 340369615 /nfs/dbraw/zinc/36/96/15/340369615.db2.gz XSVGPADTJAIAQA-RNODOKPDSA-N 1 0 324.399 4.508 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000512625592 340369716 /nfs/dbraw/zinc/36/97/16/340369716.db2.gz OZUDLVPDNCTRCI-NEPJUHHUSA-N 1 0 302.780 4.763 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccc(C#N)cc1F ZINC000512630040 340369943 /nfs/dbraw/zinc/36/99/43/340369943.db2.gz LGIYBGROWAZYHF-ADLMAVQZSA-N 1 0 314.791 4.689 20 30 DJEDRO C=C(C)[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000512652299 340371123 /nfs/dbraw/zinc/37/11/23/340371123.db2.gz LKIPLUJXLMAFKF-DJJJIMSYSA-N 1 0 317.379 4.508 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccc(C#N)cc1F ZINC000512653857 340371177 /nfs/dbraw/zinc/37/11/77/340371177.db2.gz HKFGQWAYZFSEJU-HXPMCKFVSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512655314 340371215 /nfs/dbraw/zinc/37/12/15/340371215.db2.gz SXGWEOVZNWHXTB-ADLFWFRXSA-N 1 0 308.400 4.684 20 30 DJEDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)cc1 ZINC000174811660 340396597 /nfs/dbraw/zinc/39/65/97/340396597.db2.gz TUBWLWNPGHZUIV-GOSISDBHSA-N 1 0 300.446 4.552 20 30 DJEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCCC(C)(C)C#N)C2CC2)o1 ZINC000174819675 340396738 /nfs/dbraw/zinc/39/67/38/340396738.db2.gz ZVUSMHWZZPHPQN-WMLDXEAASA-N 1 0 300.446 4.697 20 30 DJEDRO COc1ccc(C[N@H+](CCCC(C)(C)C#N)[C@@H](C)C2CC2)cc1 ZINC000174832384 340396926 /nfs/dbraw/zinc/39/69/26/340396926.db2.gz ZOSRGBUFHITWNA-INIZCTEOSA-N 1 0 314.473 4.626 20 30 DJEDRO C[C@H](c1ccccc1Br)[N@H+](C)CCCC(C)(C)C#N ZINC000174835373 340397167 /nfs/dbraw/zinc/39/71/67/340397167.db2.gz CEWBCSYCUVUYRF-CYBMUJFWSA-N 1 0 323.278 4.772 20 30 DJEDRO N#Cc1cccc(C2([NH2+]C/C=C\c3ccc(Cl)cc3)CC2)c1 ZINC000513527375 340412380 /nfs/dbraw/zinc/41/23/80/340412380.db2.gz SHLSIBLYOXMZGF-RQOWECAXSA-N 1 0 308.812 4.504 20 30 DJEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000513648274 340416990 /nfs/dbraw/zinc/41/69/90/340416990.db2.gz QJKIESAIHJVRLY-KGLIPLIRSA-N 1 0 314.379 4.508 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1Cl ZINC000178641106 340451189 /nfs/dbraw/zinc/45/11/89/340451189.db2.gz FVMFPEIHZYUBCX-VIFPVBQESA-N 1 0 305.636 4.991 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(F)c(F)c1 ZINC000187375425 340519514 /nfs/dbraw/zinc/51/95/14/340519514.db2.gz ZFIPVXNOCKLDKX-IBGZPJMESA-N 1 0 324.374 4.920 20 30 DJEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC(C)(C)C#N)cc1 ZINC000521944081 340558541 /nfs/dbraw/zinc/55/85/41/340558541.db2.gz GSDOXWPAJDDNFS-HXUWFJFHSA-N 1 0 322.452 4.508 20 30 DJEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2cccc(Cl)c2)c1 ZINC000523384317 340622513 /nfs/dbraw/zinc/62/25/13/340622513.db2.gz WTRRRDVBTWIGEO-UHFFFAOYSA-N 1 0 315.844 4.930 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000235192705 340657482 /nfs/dbraw/zinc/65/74/82/340657482.db2.gz JBXACWPVXODKLG-CYBMUJFWSA-N 1 0 323.278 4.820 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2F)cc1 ZINC000237014593 340667328 /nfs/dbraw/zinc/66/73/28/340667328.db2.gz MFGJRAOOERVMNK-LJQANCHMSA-N 1 0 317.379 4.771 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000237829723 340674341 /nfs/dbraw/zinc/67/43/41/340674341.db2.gz XFJPFZPPKQRPHK-IBGZPJMESA-N 1 0 313.828 4.682 20 30 DJEDRO C=CCC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000525356879 340701351 /nfs/dbraw/zinc/70/13/51/340701351.db2.gz XCWLQTVGYAJMQT-SFHVURJKSA-N 1 0 301.817 4.604 20 30 DJEDRO C[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000538177557 340812213 /nfs/dbraw/zinc/81/22/13/340812213.db2.gz ZROKYJFNTXYALK-GZMMTYOYSA-N 1 0 317.248 4.607 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000538235299 340814460 /nfs/dbraw/zinc/81/44/60/340814460.db2.gz KUSGLGHLRWYVQM-FQEVSTJZSA-N 1 0 322.452 4.752 20 30 DJEDRO CC(C)C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000538388831 340819907 /nfs/dbraw/zinc/81/99/07/340819907.db2.gz GRJPPNQCHJNGMH-OAHLLOKOSA-N 1 0 310.363 4.686 20 30 DJEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539497501 340887626 /nfs/dbraw/zinc/88/76/26/340887626.db2.gz XWWDDKGXJAFGIM-DLBZAZTESA-N 1 0 322.452 4.895 20 30 DJEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000539497507 340887698 /nfs/dbraw/zinc/88/76/98/340887698.db2.gz XWWDDKGXJAFGIM-IRXDYDNUSA-N 1 0 322.452 4.895 20 30 DJEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000539508554 340888548 /nfs/dbraw/zinc/88/85/48/340888548.db2.gz CFJYAOWCFPDBDE-CHWSQXEVSA-N 1 0 305.853 4.622 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000539608630 340892399 /nfs/dbraw/zinc/89/23/99/340892399.db2.gz VMISFAKDQKJACR-XOBRGWDASA-N 1 0 308.400 4.808 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc(C#N)c(F)c1 ZINC000539610055 340892634 /nfs/dbraw/zinc/89/26/34/340892634.db2.gz OBIKWAYAFQPOCS-VOJFVSQTSA-N 1 0 314.791 4.689 20 30 DJEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cc(F)c(Cl)cc1Cl ZINC000539615102 340892998 /nfs/dbraw/zinc/89/29/98/340892998.db2.gz HTWDPJPORIHYCJ-VIFPVBQESA-N 1 0 303.208 4.723 20 30 DJEDRO N#CCSCCC[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000540428395 340930934 /nfs/dbraw/zinc/93/09/34/340930934.db2.gz VATYFLGFXOVUQB-KRWDZBQOSA-N 1 0 322.905 4.808 20 30 DJEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000540522209 340934889 /nfs/dbraw/zinc/93/48/89/340934889.db2.gz XWGHTSUXMNTFII-COXVUDFISA-N 1 0 304.865 4.957 20 30 DJEDRO CC(C)(C)[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000540588591 340936622 /nfs/dbraw/zinc/93/66/22/340936622.db2.gz AKTQWWDQYBWWRO-AWEZNQCLSA-N 1 0 310.363 4.686 20 30 DJEDRO C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)c1cccc(C#N)c1 ZINC000540596528 340937520 /nfs/dbraw/zinc/93/75/20/340937520.db2.gz OYIQRGYSDXUYNS-SUMWQHHRSA-N 1 0 318.342 4.903 20 30 DJEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2cccs2)CC1 ZINC000540628619 340939358 /nfs/dbraw/zinc/93/93/58/340939358.db2.gz VQSKTCWRNABDMF-UHFFFAOYSA-N 1 0 324.493 4.674 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000540712038 340942838 /nfs/dbraw/zinc/94/28/38/340942838.db2.gz IUSREDKIMIVWGH-INIZCTEOSA-N 1 0 322.452 4.953 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000542211750 341000410 /nfs/dbraw/zinc/00/04/10/341000410.db2.gz ODURIKNCEQDXFK-FQEVSTJZSA-N 1 0 308.400 4.523 20 30 DJEDRO C[C@H]([NH2+]CCCC#N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000542498526 341010505 /nfs/dbraw/zinc/01/05/05/341010505.db2.gz YAQXKXHVPZTLNQ-VIFPVBQESA-N 1 0 324.268 4.679 20 30 DJEDRO C=CC[C@@H](C)[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000542845848 341023233 /nfs/dbraw/zinc/02/32/33/341023233.db2.gz BXKKCTKBILLWTN-BXUZGUMPSA-N 1 0 303.393 4.664 20 30 DJEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000542854178 341023760 /nfs/dbraw/zinc/02/37/60/341023760.db2.gz NWSLIMIFJAFDDT-UHFFFAOYSA-N 1 0 308.400 4.618 20 30 DJEDRO C=C(CC)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543052594 341029523 /nfs/dbraw/zinc/02/95/23/341029523.db2.gz SIWLXYLWKAYQCY-SFHVURJKSA-N 1 0 300.833 4.575 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(Cl)s1 ZINC000543484817 341046910 /nfs/dbraw/zinc/04/69/10/341046910.db2.gz FKJXPUKWKCTVLI-ZDUSSCGKSA-N 1 0 320.845 4.523 20 30 DJEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccs1 ZINC000543485982 341046920 /nfs/dbraw/zinc/04/69/20/341046920.db2.gz PMZBQNOHZQLKBD-MRXNPFEDSA-N 1 0 302.418 4.636 20 30 DJEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543594779 341050075 /nfs/dbraw/zinc/05/00/75/341050075.db2.gz JJHAPJPYWYJQRE-OTWHNJEPSA-N 1 0 305.437 4.770 20 30 DJEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000543739156 341055900 /nfs/dbraw/zinc/05/59/00/341055900.db2.gz YUXXFXJNTGFZRP-UHFFFAOYSA-N 1 0 314.816 4.726 20 30 DJEDRO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543960971 341064361 /nfs/dbraw/zinc/06/43/61/341064361.db2.gz HXSQZZDCQSWKCZ-IAGOWNOFSA-N 1 0 322.452 4.691 20 30 DJEDRO C=CCC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544471480 341083721 /nfs/dbraw/zinc/08/37/21/341083721.db2.gz SNNQPFZMWCWEOV-NSHDSACASA-N 1 0 306.862 4.999 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000544896411 341098104 /nfs/dbraw/zinc/09/81/04/341098104.db2.gz DFQUDKNJAYXEKU-LSDHHAIUSA-N 1 0 322.427 4.988 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000545250893 341117387 /nfs/dbraw/zinc/11/73/87/341117387.db2.gz GYYWABICYXKOTP-UHFFFAOYSA-N 1 0 317.219 4.644 20 30 DJEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)o1 ZINC000237659957 341217790 /nfs/dbraw/zinc/21/77/90/341217790.db2.gz KJAANEQRSHWQCO-UHFFFAOYSA-N 1 0 314.816 4.754 20 30 DJEDRO C=C(C)[C@H]([NH2+]Cc1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000547512688 341219334 /nfs/dbraw/zinc/21/93/34/341219334.db2.gz AZAGSRHVNDRQPO-SFHVURJKSA-N 1 0 305.343 4.819 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000135280759 341235341 /nfs/dbraw/zinc/23/53/41/341235341.db2.gz ZJHHFMIMJQLFLG-UHFFFAOYSA-N 1 0 324.390 4.652 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000136223728 341255287 /nfs/dbraw/zinc/25/52/87/341255287.db2.gz ZOXCOUUJPGSBBR-JTQLQIEISA-N 1 0 323.198 4.855 20 30 DJEDRO CC(C)(C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000548972944 341282617 /nfs/dbraw/zinc/28/26/17/341282617.db2.gz FETCVMFKTIIQFU-UHFFFAOYSA-N 1 0 317.248 4.523 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000549536283 341296797 /nfs/dbraw/zinc/29/67/97/341296797.db2.gz SKSHSLNJNURKCD-AUSJPIAWSA-N 1 0 308.400 4.836 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000549544958 341297122 /nfs/dbraw/zinc/29/71/22/341297122.db2.gz RUYZSPHXEZZCAV-WJPUGNRLSA-N 1 0 315.420 4.568 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000549717681 341301258 /nfs/dbraw/zinc/30/12/58/341301258.db2.gz JLBLABXUEUYOKL-NSODJVPESA-N 1 0 309.240 4.726 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927596 341306987 /nfs/dbraw/zinc/30/69/87/341306987.db2.gz BRDDCENVGXIKMV-UXLLHSPISA-N 1 0 324.399 4.961 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000550226193 341312960 /nfs/dbraw/zinc/31/29/60/341312960.db2.gz GVGQWJUANQIWCH-UHFFFAOYSA-N 1 0 317.379 4.653 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000551175047 341333019 /nfs/dbraw/zinc/33/30/19/341333019.db2.gz FRYHVRLDCIXHGX-AVYPCKFXSA-N 1 0 313.416 4.611 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000551175050 341333118 /nfs/dbraw/zinc/33/31/18/341333118.db2.gz FRYHVRLDCIXHGX-SXGZJXTBSA-N 1 0 313.416 4.611 20 30 DJEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(Cl)c1 ZINC000551557860 341345401 /nfs/dbraw/zinc/34/54/01/341345401.db2.gz MKSSKELDNRVPJG-SFHVURJKSA-N 1 0 310.828 4.942 20 30 DJEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1F ZINC000551573174 341346134 /nfs/dbraw/zinc/34/61/34/341346134.db2.gz MWABJRDKDIPCDP-GOSISDBHSA-N 1 0 312.363 4.566 20 30 DJEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1F ZINC000551747669 341350483 /nfs/dbraw/zinc/35/04/83/341350483.db2.gz FMVMYHRIQMXGSF-UHFFFAOYSA-N 1 0 314.791 4.520 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCCCc1nc(C)cs1)c1ccco1 ZINC000552045095 341364550 /nfs/dbraw/zinc/36/45/50/341364550.db2.gz YAGZHZWHFBHUQQ-OAHLLOKOSA-N 1 0 304.459 4.664 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000552922770 341408742 /nfs/dbraw/zinc/40/87/42/341408742.db2.gz SMZUVNVTSRCDBE-HXPMCKFVSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000552922768 341408771 /nfs/dbraw/zinc/40/87/71/341408771.db2.gz SMZUVNVTSRCDBE-BUXKBTBVSA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000552922767 341408778 /nfs/dbraw/zinc/40/87/78/341408778.db2.gz SMZUVNVTSRCDBE-BLVKFPJESA-N 1 0 312.363 4.565 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl ZINC000552969330 341411076 /nfs/dbraw/zinc/41/10/76/341411076.db2.gz MXLZDHBOBIEHMC-DJJJIMSYSA-N 1 0 310.828 4.940 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000553293905 341423618 /nfs/dbraw/zinc/42/36/18/341423618.db2.gz OTRWVAJDCFSAIG-HRAATJIYSA-N 1 0 304.437 4.903 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1C ZINC000553293908 341423627 /nfs/dbraw/zinc/42/36/27/341423627.db2.gz OTRWVAJDCFSAIG-KKSFZXQISA-N 1 0 304.437 4.903 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000091412319 341425944 /nfs/dbraw/zinc/42/59/44/341425944.db2.gz LYUIQQAXDJWQKR-MRXNPFEDSA-N 1 0 316.404 4.978 20 30 DJEDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000553759223 341435494 /nfs/dbraw/zinc/43/54/94/341435494.db2.gz HJZFDJNZHGYQGH-NOLJZWGESA-N 1 0 310.363 4.578 20 30 DJEDRO C=CCOc1ccccc1C[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000553800993 341436200 /nfs/dbraw/zinc/43/62/00/341436200.db2.gz CXLCWVDFRBYBEH-UHFFFAOYSA-N 1 0 307.393 4.596 20 30 DJEDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)c2ccccc12 ZINC000554364181 341451317 /nfs/dbraw/zinc/45/13/17/341451317.db2.gz ZMUJMTRUIHOIKI-OAHLLOKOSA-N 1 0 310.441 4.829 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc2ccccc2o1 ZINC000564493988 341502622 /nfs/dbraw/zinc/50/26/22/341502622.db2.gz BXSPKGWRORVCBS-UGSOOPFHSA-N 1 0 302.377 4.643 20 30 DJEDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000565850391 341540106 /nfs/dbraw/zinc/54/01/06/341540106.db2.gz LQCVBELZIYFLHC-QRWLVFNGSA-N 1 0 320.436 4.685 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000268808246 341604317 /nfs/dbraw/zinc/60/43/17/341604317.db2.gz MYZAPFTVAGSQEC-STQMWFEESA-N 1 0 316.351 4.571 20 30 DJEDRO Cc1ccc([C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C2CC2)cc1 ZINC000574561443 341762258 /nfs/dbraw/zinc/76/22/58/341762258.db2.gz HAWNHSCDAYOGQC-NHCUHLMSSA-N 1 0 302.421 4.595 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000576602167 341854779 /nfs/dbraw/zinc/85/47/79/341854779.db2.gz XOAVVJHSYBXGSW-ZCPGHIKRSA-N 1 0 322.374 4.623 20 30 DJEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCCCC#N)cc2)c1 ZINC000178649958 341960911 /nfs/dbraw/zinc/96/09/11/341960911.db2.gz OHBSOIVFMDTOQL-SFHVURJKSA-N 1 0 322.452 4.919 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1cccc(OCC)c1)c1ccc(F)c(F)c1 ZINC000479419435 517319556 /nfs/dbraw/zinc/31/95/56/517319556.db2.gz VEVAJVSNBFJDCJ-LJQANCHMSA-N 1 0 317.379 4.771 20 30 DJEDRO C[C@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130431095 525588662 /nfs/dbraw/zinc/58/86/62/525588662.db2.gz JPJGHXMOXGAION-MQIPJXDCSA-N 1 0 314.479 4.896 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000126528420 525607728 /nfs/dbraw/zinc/60/77/28/525607728.db2.gz SMSYSSDVHPSQOV-DLBZAZTESA-N 1 0 319.452 4.570 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000078973542 185138282 /nfs/dbraw/zinc/13/82/82/185138282.db2.gz SGLCAODVSBBAEX-CHWSQXEVSA-N 1 0 316.351 4.571 20 30 DJEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000121443837 132156229 /nfs/dbraw/zinc/15/62/29/132156229.db2.gz UOCZJQZYHIEOJL-STQMWFEESA-N 1 0 316.351 4.571 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000015025058 331515795 /nfs/dbraw/zinc/51/57/95/331515795.db2.gz WAEYLMNHYGUFHB-JOCHJYFZSA-N 1 0 312.416 4.632 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1ccccc1 ZINC000537950190 331564957 /nfs/dbraw/zinc/56/49/57/331564957.db2.gz MAQMSDFKNSDCKL-VQTJNVASSA-N 1 0 307.437 4.980 20 30 DJEDRO CCc1ccc([C@H](CC)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000556605659 331718735 /nfs/dbraw/zinc/71/87/35/331718735.db2.gz DLIQVALZIMXZEZ-FQEVSTJZSA-N 1 0 304.437 4.851 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1Cl ZINC000518248164 332000417 /nfs/dbraw/zinc/00/04/17/332000417.db2.gz FXBKNYGYSUWVRH-UHFFFAOYSA-N 1 0 322.235 4.848 20 30 DJEDRO COc1cccc([C@H]2CCC[N@@H+]2CCCCC(C)(C)C#N)c1 ZINC000409447356 332031755 /nfs/dbraw/zinc/03/17/55/332031755.db2.gz SODUAMPJRAPRTE-GOSISDBHSA-N 1 0 300.446 4.552 20 30 DJEDRO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(OC)cc1 ZINC000090664899 332092035 /nfs/dbraw/zinc/09/20/35/332092035.db2.gz QRFFMZJBYKCKPU-PMACEKPBSA-N 1 0 308.425 4.781 20 30 DJEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665033 332092199 /nfs/dbraw/zinc/09/21/99/332092199.db2.gz FHNREWQIRGRYGK-RTWAWAEBSA-N 1 0 320.436 4.707 20 30 DJEDRO COc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1F ZINC000090665905 332092411 /nfs/dbraw/zinc/09/24/11/332092411.db2.gz KICQEVSEISQSDN-KBXCAEBGSA-N 1 0 312.388 4.530 20 30 DJEDRO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000093101166 332134361 /nfs/dbraw/zinc/13/43/61/332134361.db2.gz AAOQBCDLESBXQU-UHFFFAOYSA-N 1 0 307.441 4.510 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1csc3ccccc13)CC2 ZINC000584261529 332173920 /nfs/dbraw/zinc/17/39/20/332173920.db2.gz IIAMALJSPXDZHC-LJQANCHMSA-N 1 0 318.445 4.593 20 30 DJEDRO C=CCCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000448021328 332182143 /nfs/dbraw/zinc/18/21/43/332182143.db2.gz IAPOWWVRNPDDHJ-AWEZNQCLSA-N 1 0 300.471 4.659 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000449447468 332201847 /nfs/dbraw/zinc/20/18/47/332201847.db2.gz YVUQKBIKCWRCKH-STQMWFEESA-N 1 0 311.256 4.598 20 30 DJEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000573794340 332276307 /nfs/dbraw/zinc/27/63/07/332276307.db2.gz GRSLHVUXPZRYRO-RDTXWAMCSA-N 1 0 315.848 4.604 20 30 DJEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000152419028 332284763 /nfs/dbraw/zinc/28/47/63/332284763.db2.gz GMAMGVGVUTXFKX-CABCVRRESA-N 1 0 316.832 4.625 20 30 DJEDRO N#CC1(C[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000560177202 332317098 /nfs/dbraw/zinc/31/70/98/332317098.db2.gz UTTZKJKFZUOLKN-IAGOWNOFSA-N 1 0 302.849 4.650 20 30 DJEDRO N#Cc1cccc(C2([NH2+][C@H]3CCCc4c(Cl)cccc43)CC2)c1 ZINC000560265671 332326360 /nfs/dbraw/zinc/32/63/60/332326360.db2.gz PWJXFOONBLTANE-IBGZPJMESA-N 1 0 322.839 4.868 20 30 DJEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000583351947 332347045 /nfs/dbraw/zinc/34/70/45/332347045.db2.gz YTONNMRNZRBSFS-MGPUTAFESA-N 1 0 320.436 4.684 20 30 DJEDRO N#CCCC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000560561141 332358576 /nfs/dbraw/zinc/35/85/76/332358576.db2.gz DZBARRCIIGSBNJ-PXDRNWIDSA-N 1 0 308.400 4.864 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237494523 332366599 /nfs/dbraw/zinc/36/65/99/332366599.db2.gz JMPLCCRYILAICC-KRWDZBQOSA-N 1 0 308.425 4.528 20 30 DJEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CCCCC#N ZINC000119405428 332371210 /nfs/dbraw/zinc/37/12/10/332371210.db2.gz SGHROUCHIKDQOU-OAHLLOKOSA-N 1 0 313.470 4.805 20 30 DJEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000561139931 332416395 /nfs/dbraw/zinc/41/63/95/332416395.db2.gz HUSWCEHDHFUWDO-YJYMSZOUSA-N 1 0 310.828 4.940 20 30 DJEDRO N#CCC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000123614227 332425797 /nfs/dbraw/zinc/42/57/97/332425797.db2.gz XZPXUFDZSVHVCA-GPANFISMSA-N 1 0 310.363 4.742 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)s1 ZINC000574884811 332446117 /nfs/dbraw/zinc/44/61/17/332446117.db2.gz GXJSWKAMGZVECS-IRXDYDNUSA-N 1 0 316.857 4.699 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)c1cccc(C#N)c1 ZINC000569630221 332474509 /nfs/dbraw/zinc/47/45/09/332474509.db2.gz WFNPYEJSOJSHPS-QMTHXVAHSA-N 1 0 302.830 4.611 20 30 DJEDRO N#CCC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000128150533 332491218 /nfs/dbraw/zinc/49/12/18/332491218.db2.gz WCEVBJFKEQVECO-JYJNAYRXSA-N 1 0 310.363 4.742 20 30 DJEDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000562044563 332537548 /nfs/dbraw/zinc/53/75/48/332537548.db2.gz HMAGWQQEZKOCRZ-LBPRGKRZSA-N 1 0 307.507 4.730 20 30 DJEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(F)c(F)c1 ZINC000187372903 332966969 /nfs/dbraw/zinc/96/69/69/332966969.db2.gz SZRBYJCTKUPGJX-LJQANCHMSA-N 1 0 317.379 4.518 20 30 DJEDRO N#CCCCOc1cccc(C[NH2+]CCCC2CCCCC2)c1 ZINC000518766351 333032669 /nfs/dbraw/zinc/03/26/69/333032669.db2.gz ZFEXNUOTHHJXAC-UHFFFAOYSA-N 1 0 314.473 4.819 20 30 DJEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(OCc2ccccc2)c1 ZINC000178640408 333141735 /nfs/dbraw/zinc/14/17/35/333141735.db2.gz SKNHBPFVQZQCJH-KRWDZBQOSA-N 1 0 308.425 4.610 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000178643104 333141796 /nfs/dbraw/zinc/14/17/96/333141796.db2.gz YFDUUBDBCPDBDD-INIZCTEOSA-N 1 0 308.425 4.707 20 30 DJEDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000180536913 333162635 /nfs/dbraw/zinc/16/26/35/333162635.db2.gz JJWPSEMHLUMAIC-IAGOWNOFSA-N 1 0 308.425 4.618 20 30 DJEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000182043377 333175051 /nfs/dbraw/zinc/17/50/51/333175051.db2.gz WLDSWQIAAOCIDB-DYESRHJHSA-N 1 0 320.436 4.947 20 30 DJEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2ccccc2s1 ZINC000184361835 333195695 /nfs/dbraw/zinc/19/56/95/333195695.db2.gz XAJVJFMHXZVFOF-GFCCVEGCSA-N 1 0 310.397 4.763 20 30 DJEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000518782346 333198007 /nfs/dbraw/zinc/19/80/07/333198007.db2.gz UQCCWMFMDJTVSE-LBPRGKRZSA-N 1 0 319.235 4.758 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cc(Cl)ccc1O ZINC000186150502 333217478 /nfs/dbraw/zinc/21/74/78/333217478.db2.gz DYZPIVZBYQJUSW-GUYCJALGSA-N 1 0 314.816 4.741 20 30 DJEDRO C=CCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000390122530 333230519 /nfs/dbraw/zinc/23/05/19/333230519.db2.gz GKFGAOMGCAEPST-ZDUSSCGKSA-N 1 0 300.265 4.518 20 30 DJEDRO Cc1c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cnn1C(C)(C)C ZINC000191388475 333279863 /nfs/dbraw/zinc/27/98/63/333279863.db2.gz HNCIEXNRYGYMEN-BEFAXECRSA-N 1 0 324.472 4.642 20 30 DJEDRO C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)c1ccc(C#N)cc1 ZINC000319655539 333393690 /nfs/dbraw/zinc/39/36/90/333393690.db2.gz FZCZOLJPHCMVSL-SUMWQHHRSA-N 1 0 318.342 4.903 20 30 DJEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000320015057 333421133 /nfs/dbraw/zinc/42/11/33/333421133.db2.gz FJZGSMLFBYUAIU-CVEARBPZSA-N 1 0 308.425 4.757 20 30 DJEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000320015063 333421171 /nfs/dbraw/zinc/42/11/71/333421171.db2.gz FJZGSMLFBYUAIU-JKSUJKDBSA-N 1 0 308.425 4.757 20 30 DJEDRO CC(C)(CC#N)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414166946 333916488 /nfs/dbraw/zinc/91/64/88/333916488.db2.gz OKXHFKHHOJWQJH-UHFFFAOYSA-N 1 0 314.379 4.584 20 30 DJEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000414302656 333933273 /nfs/dbraw/zinc/93/32/73/333933273.db2.gz MZEZTMZBEKRDLU-APWZRJJASA-N 1 0 311.473 4.610 20 30 DJEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1C ZINC000271479698 334023535 /nfs/dbraw/zinc/02/35/35/334023535.db2.gz NEQGRCRGFQWJQC-IAGOWNOFSA-N 1 0 308.425 4.618 20 30 DJEDRO Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000271874256 334027928 /nfs/dbraw/zinc/02/79/28/334027928.db2.gz NRFNSFRVIFNLIH-IERDGZPVSA-N 1 0 320.436 4.699 20 30 DJEDRO Cc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(O)c1C ZINC000273456799 334047050 /nfs/dbraw/zinc/04/70/50/334047050.db2.gz HHOVUGGBTKSCKF-QFBILLFUSA-N 1 0 308.425 4.705 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccc(OCC#N)cc1 ZINC000277184021 334086779 /nfs/dbraw/zinc/08/67/79/334086779.db2.gz ICZXTQBWHNPXEJ-MRXNPFEDSA-N 1 0 320.436 4.707 20 30 DJEDRO COCCCC[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000277720976 334090207 /nfs/dbraw/zinc/09/02/07/334090207.db2.gz NJUDNYPRSLVBHA-UHFFFAOYSA-N 1 0 316.489 4.635 20 30 DJEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000278634769 334098948 /nfs/dbraw/zinc/09/89/48/334098948.db2.gz GQTKKAUKGIUCKE-ZDUSSCGKSA-N 1 0 310.388 4.659 20 30 DJEDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccccc21 ZINC000278755677 334100856 /nfs/dbraw/zinc/10/08/56/334100856.db2.gz OCLZURYOMHWDCH-RTWAWAEBSA-N 1 0 320.436 4.563 20 30 DJEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000278923130 334103406 /nfs/dbraw/zinc/10/34/06/334103406.db2.gz WTXGTKISMGDUCC-CYBMUJFWSA-N 1 0 310.388 4.659 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000280581899 334118650 /nfs/dbraw/zinc/11/86/50/334118650.db2.gz HQJLMJJPSMZXQX-KOMQPUFPSA-N 1 0 324.390 4.871 20 30 DJEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1ccccc1 ZINC000292343399 334186967 /nfs/dbraw/zinc/18/69/67/334186967.db2.gz XBOZNJYAPSDLDF-GOSISDBHSA-N 1 0 314.473 4.559 20 30 DJEDRO CCc1cccc2c(C3CC[NH+]([C@H]4CC[C@@H](C#N)C4)CC3)c[nH]c21 ZINC000293384189 334197834 /nfs/dbraw/zinc/19/78/34/334197834.db2.gz GLYHHBZSQUOZLT-QAPCUYQASA-N 1 0 321.468 4.602 20 30 DJEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340430376 334199001 /nfs/dbraw/zinc/19/90/01/334199001.db2.gz GTZNVFXPBYYELV-WMQCIHAUSA-N 1 0 322.452 4.787 20 30 DJEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340433529 334199539 /nfs/dbraw/zinc/19/95/39/334199539.db2.gz PHHCVVOPKKEAFM-JXFKEZNVSA-N 1 0 310.416 4.781 20 30 DJEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000340441742 334202389 /nfs/dbraw/zinc/20/23/89/334202389.db2.gz DLUZMAQLLPCUOP-MGPUTAFESA-N 1 0 321.399 4.783 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453049 334205480 /nfs/dbraw/zinc/20/54/80/334205480.db2.gz RBFVHQYRRBYEMI-CRAIPNDOSA-N 1 0 322.408 4.501 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000340453051 334205494 /nfs/dbraw/zinc/20/54/94/334205494.db2.gz RBFVHQYRRBYEMI-QAPCUYQASA-N 1 0 322.408 4.501 20 30 DJEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CC2 ZINC000340452989 334205543 /nfs/dbraw/zinc/20/55/43/334205543.db2.gz PYGMJVAZXAYQRI-SFTDATJTSA-N 1 0 320.436 4.707 20 30 DJEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1N(C)C ZINC000340457990 334207559 /nfs/dbraw/zinc/20/75/59/334207559.db2.gz XEWVUTHPNAHOSL-PXNSSMCTSA-N 1 0 321.468 4.838 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OC(C)(C)C)cc1 ZINC000295861475 334228017 /nfs/dbraw/zinc/22/80/17/334228017.db2.gz BNJBGMXHUQRMLQ-ZOBUZTSGSA-N 1 0 300.446 4.597 20 30 DJEDRO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296348986 334232715 /nfs/dbraw/zinc/23/27/15/334232715.db2.gz IFMTUWXMVOZVTP-YZVOILCLSA-N 1 0 307.441 4.526 20 30 DJEDRO COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)ccc2c1 ZINC000296624208 334235558 /nfs/dbraw/zinc/23/55/58/334235558.db2.gz XALJLGVEBFKSIH-DOXZYTNZSA-N 1 0 308.425 4.581 20 30 DJEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000298854684 334251770 /nfs/dbraw/zinc/25/17/70/334251770.db2.gz IUHGHAJBGXQZKB-HOTGVXAUSA-N 1 0 308.425 4.705 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000048367595 334279388 /nfs/dbraw/zinc/27/93/88/334279388.db2.gz OKGRTMVMEUQWAP-OAQYLSRUSA-N 1 0 316.379 4.577 20 30 DJEDRO C[C@H]([NH2+]Cc1cc(Cl)cc2cccnc21)c1ccc(C#N)cc1 ZINC000531912846 334290721 /nfs/dbraw/zinc/29/07/21/334290721.db2.gz ZOIQQQXCPCSTMY-ZDUSSCGKSA-N 1 0 321.811 4.611 20 30 DJEDRO C[C@@H](C[NH2+]Cc1cc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000443002380 338441570 /nfs/dbraw/zinc/44/15/70/338441570.db2.gz UDUHZPSSXKSKDT-NSHDSACASA-N 1 0 324.371 4.532 20 30 DJEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OC)cc1 ZINC000341760829 334478348 /nfs/dbraw/zinc/47/83/48/334478348.db2.gz MTCVUCOACGAFAZ-LEWJYISDSA-N 1 0 320.436 4.685 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000342221141 334522292 /nfs/dbraw/zinc/52/22/92/334522292.db2.gz KNICRZRTNXNXIF-QGZVFWFLSA-N 1 0 320.358 4.898 20 30 DJEDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441351409 334704297 /nfs/dbraw/zinc/70/42/97/334704297.db2.gz BYHQHSBRBNDLHE-BFESNGRRSA-N 1 0 310.485 4.878 20 30 DJEDRO N#CCc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000343702062 335189106 /nfs/dbraw/zinc/18/91/06/335189106.db2.gz YADSFLAIVZKGEO-QGZVFWFLSA-N 1 0 318.342 4.536 20 30 DJEDRO C=CCC[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(C(F)(F)F)cc1 ZINC000345017194 335291662 /nfs/dbraw/zinc/29/16/62/335291662.db2.gz ISUQHPSGOHJVQT-INIZCTEOSA-N 1 0 308.347 4.831 20 30 DJEDRO CSc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000353918073 335556272 /nfs/dbraw/zinc/55/62/72/335556272.db2.gz XJIURUNQRKARKO-MRXNPFEDSA-N 1 0 316.495 4.995 20 30 DJEDRO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC(C)(C)CCC#N)CCCO2 ZINC000348199200 335565043 /nfs/dbraw/zinc/56/50/43/335565043.db2.gz OXMVUYNHKUJDKE-MRXNPFEDSA-N 1 0 320.864 4.782 20 30 DJEDRO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CCC#N)CCCS2 ZINC000348249801 335567571 /nfs/dbraw/zinc/56/75/71/335567571.db2.gz ZJCXQZSDKHUVLW-INIZCTEOSA-N 1 0 318.486 4.542 20 30 DJEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1OC(F)F ZINC000442864630 335644156 /nfs/dbraw/zinc/64/41/56/335644156.db2.gz DEOVVABQHJGMGA-ZBCRRDGASA-N 1 0 322.399 4.659 20 30 DJEDRO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccc1Cl ZINC000442872202 335649391 /nfs/dbraw/zinc/64/93/91/335649391.db2.gz HQJGTASYFJGQBG-JTTJXQCZSA-N 1 0 304.865 4.957 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc(OCC#N)cc1 ZINC000191633171 335783878 /nfs/dbraw/zinc/78/38/78/335783878.db2.gz OODVAAYGODQLJX-CABCVRRESA-N 1 0 320.392 4.747 20 30 DJEDRO CC[C@H](c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000520608323 335994533 /nfs/dbraw/zinc/99/45/33/335994533.db2.gz DGNSZFTWDLOSEQ-OAQYLSRUSA-N 1 0 320.436 4.553 20 30 DJEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000351026009 336005378 /nfs/dbraw/zinc/00/53/78/336005378.db2.gz IPWMTRBRKJRBJQ-FQEVSTJZSA-N 1 0 320.436 4.588 20 30 DJEDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612096 336226929 /nfs/dbraw/zinc/22/69/29/336226929.db2.gz MREMKMKAWCZGMP-RTWAWAEBSA-N 1 0 304.437 4.985 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CCCc2ccc(C)cc21)c1ccc(C#N)cc1 ZINC000352612098 336226938 /nfs/dbraw/zinc/22/69/38/336226938.db2.gz MREMKMKAWCZGMP-SFTDATJTSA-N 1 0 304.437 4.985 20 30 DJEDRO CSc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000352797675 336237699 /nfs/dbraw/zinc/23/76/99/336237699.db2.gz MSWBXYAOZGPJSY-OAHLLOKOSA-N 1 0 302.468 4.605 20 30 DJEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000103345376 336240109 /nfs/dbraw/zinc/24/01/09/336240109.db2.gz MLSARUIGHDYIPV-OAHLLOKOSA-N 1 0 310.466 4.910 20 30 DJEDRO C=C1CC[NH+]([C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000532556508 336255431 /nfs/dbraw/zinc/25/54/31/336255431.db2.gz LKOKCGLIGCSOMU-QGZVFWFLSA-N 1 0 320.436 4.652 20 30 DJEDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000532567657 336255859 /nfs/dbraw/zinc/25/58/59/336255859.db2.gz MCNQXSRXZFHJTA-LJQANCHMSA-N 1 0 310.416 4.883 20 30 DJEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc21 ZINC000532570060 336255946 /nfs/dbraw/zinc/25/59/46/336255946.db2.gz YEHROBXEFZYVPS-LJQANCHMSA-N 1 0 308.400 4.600 20 30 DJEDRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000192805293 336264819 /nfs/dbraw/zinc/26/48/19/336264819.db2.gz DVJROPANPAWAHP-MRXNPFEDSA-N 1 0 307.441 4.573 20 30 DJEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cc2ccccc2s1 ZINC000526944809 336276043 /nfs/dbraw/zinc/27/60/43/336276043.db2.gz CHCGVRPSBQTVBJ-GFCCVEGCSA-N 1 0 310.397 4.763 20 30 DJEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000325117270 336279491 /nfs/dbraw/zinc/27/94/91/336279491.db2.gz ORYMBIHQLOLIFT-LIRRHRJNSA-N 1 0 323.396 4.658 20 30 DJEDRO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1cccc(C#N)c1 ZINC000192930631 336284628 /nfs/dbraw/zinc/28/46/28/336284628.db2.gz XIHOMSGJBCJDJH-KRWDZBQOSA-N 1 0 312.416 4.998 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000192975270 336286248 /nfs/dbraw/zinc/28/62/48/336286248.db2.gz LRTJUIXDWAXBMC-QWHCGFSZSA-N 1 0 316.351 4.571 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000193002549 336286793 /nfs/dbraw/zinc/28/67/93/336286793.db2.gz UUIQRDBLAANWCE-OLZOCXBDSA-N 1 0 318.342 4.989 20 30 DJEDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)s1 ZINC000193016890 336287003 /nfs/dbraw/zinc/28/70/03/336287003.db2.gz ZWRRMMJWIUXTDD-UONOGXRCSA-N 1 0 314.454 4.679 20 30 DJEDRO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2cccc(F)c2n1 ZINC000301654348 336321097 /nfs/dbraw/zinc/32/10/97/336321097.db2.gz HJEDXJIHQPFPRI-ZDUSSCGKSA-N 1 0 305.356 4.727 20 30 DJEDRO Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2cccc(F)c2n1 ZINC000301654347 336321111 /nfs/dbraw/zinc/32/11/11/336321111.db2.gz HJEDXJIHQPFPRI-CYBMUJFWSA-N 1 0 305.356 4.727 20 30 DJEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](c3ccc(Cl)cc3)C1)CC2 ZINC000564009252 336401833 /nfs/dbraw/zinc/40/18/33/336401833.db2.gz XWBKQWRLQAXNLT-YVWKXTFCSA-N 1 0 322.839 4.735 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CCC(F)(F)CC1 ZINC000353311874 336411251 /nfs/dbraw/zinc/41/12/51/336411251.db2.gz HRMDRBLKXLAFKQ-PBHICJAKSA-N 1 0 306.400 4.835 20 30 DJEDRO N#CCCCOc1cccc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000353424997 336417127 /nfs/dbraw/zinc/41/71/27/336417127.db2.gz UXTDGAXTHVGRHO-UHFFFAOYSA-N 1 0 312.457 4.525 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(CSC)cc1)c1ccc(C#N)cc1 ZINC000353949083 336450866 /nfs/dbraw/zinc/45/08/66/336450866.db2.gz ZMHRAFRSSMVTKB-IBGZPJMESA-N 1 0 310.466 4.662 20 30 DJEDRO C=CCSCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000358031821 336607515 /nfs/dbraw/zinc/60/75/15/336607515.db2.gz ZGJDMCDSAPSCCA-NSHDSACASA-N 1 0 324.540 4.750 20 30 DJEDRO C[C@H](CCc1cccc(F)c1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358336090 336624671 /nfs/dbraw/zinc/62/46/71/336624671.db2.gz CEJUPIRKXAVFDR-OXQOHEQNSA-N 1 0 310.416 4.781 20 30 DJEDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000359026073 336653929 /nfs/dbraw/zinc/65/39/29/336653929.db2.gz DSPMLDZLFVJQRA-WOJBJXKFSA-N 1 0 308.400 4.816 20 30 DJEDRO C=CCC[C@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000375883128 337022049 /nfs/dbraw/zinc/02/20/49/337022049.db2.gz ARQHTFCTLUEXBD-ZFWWWQNUSA-N 1 0 302.443 4.719 20 30 DJEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000376092788 337026860 /nfs/dbraw/zinc/02/68/60/337026860.db2.gz AVEQWKNMEMPADZ-UHFFFAOYSA-N 1 0 319.880 4.634 20 30 DJEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360034584 337084001 /nfs/dbraw/zinc/08/40/01/337084001.db2.gz DMVLVSCONFHVNU-INIZCTEOSA-N 1 0 311.429 4.685 20 30 DJEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@H]1c1ccccc1 ZINC000582632728 337116383 /nfs/dbraw/zinc/11/63/83/337116383.db2.gz CRSUFVRZEOPEFP-RTWAWAEBSA-N 1 0 323.484 4.646 20 30 DJEDRO CC[C@@H]([NH2+]CCc1c[nH]c2cccc(C)c12)c1ccc(C#N)cc1 ZINC000583004154 337227745 /nfs/dbraw/zinc/22/77/45/337227745.db2.gz SKEGFLZUXJXCSE-LJQANCHMSA-N 1 0 317.436 4.631 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000584552526 337360486 /nfs/dbraw/zinc/36/04/86/337360486.db2.gz GOUUTLJRDLHVNG-UHFFFAOYSA-N 1 0 318.367 4.644 20 30 DJEDRO CC(C)COc1cccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000126786210 337417719 /nfs/dbraw/zinc/41/77/19/337417719.db2.gz WPJINUYQOYXDCE-NRFANRHFSA-N 1 0 322.452 4.856 20 30 DJEDRO N#CC1(CC[NH2+][C@H](CC(F)F)c2ccccc2)CCCCC1 ZINC000420988762 337517674 /nfs/dbraw/zinc/51/76/74/337517674.db2.gz AVBFPILBBCRQHX-MRXNPFEDSA-N 1 0 306.400 4.837 20 30 DJEDRO C=CCOc1ccccc1C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000161491186 337588465 /nfs/dbraw/zinc/58/84/65/337588465.db2.gz KPOILKCGQOJJQI-LJQANCHMSA-N 1 0 310.441 4.523 20 30 DJEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccncc1Cl ZINC000421857949 337650806 /nfs/dbraw/zinc/65/08/06/337650806.db2.gz PVMYQHXKOMYQMN-KDOFPFPSSA-N 1 0 313.832 4.821 20 30 DJEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccncc1Cl ZINC000421857953 337650882 /nfs/dbraw/zinc/65/08/82/337650882.db2.gz PVMYQHXKOMYQMN-RDTXWAMCSA-N 1 0 313.832 4.821 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000424316742 337819760 /nfs/dbraw/zinc/81/97/60/337819760.db2.gz BHMVKAYMZAFPIS-NJZAAPMLSA-N 1 0 306.862 4.549 20 30 DJEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318262 337819980 /nfs/dbraw/zinc/81/99/80/337819980.db2.gz CWFVLRGDRWFLQN-RCCFBDPRSA-N 1 0 310.466 4.622 20 30 DJEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000424327922 337821565 /nfs/dbraw/zinc/82/15/65/337821565.db2.gz NHSWYEIGSTUNIN-WBQNTZJQSA-N 1 0 322.374 4.623 20 30 DJEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424328760 337821595 /nfs/dbraw/zinc/82/15/95/337821595.db2.gz OMLMQHMZOWETFJ-JTDSTZFVSA-N 1 0 320.436 4.705 20 30 DJEDRO Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)cs2)cs1 ZINC000424333910 337822571 /nfs/dbraw/zinc/82/25/71/337822571.db2.gz UUHMNLNCLUSAHT-SCDSUCTJSA-N 1 0 317.483 4.523 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2cccs2)cc1 ZINC000116923184 337844722 /nfs/dbraw/zinc/84/47/22/337844722.db2.gz QOQHDGCTDDIBGG-LJQANCHMSA-N 1 0 318.445 4.693 20 30 DJEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cncs1 ZINC000537012130 337864470 /nfs/dbraw/zinc/86/44/70/337864470.db2.gz FWXCDLQZUYWGFW-AWEZNQCLSA-N 1 0 319.433 4.533 20 30 DJEDRO N#CCCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000537130962 337894512 /nfs/dbraw/zinc/89/45/12/337894512.db2.gz IMHPPUMGANGLLY-RTWAWAEBSA-N 1 0 304.437 4.741 20 30 DJEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000537295966 337928925 /nfs/dbraw/zinc/92/89/25/337928925.db2.gz PNHCKCJYGSHTDF-SJORKVTESA-N 1 0 322.452 4.895 20 30 DJEDRO CC(C)c1ccc(OC2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000537363342 337932721 /nfs/dbraw/zinc/93/27/21/337932721.db2.gz MDUNERIMBOHWOS-UHFFFAOYSA-N 1 0 314.473 4.593 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)c1ccc(C#N)cc1 ZINC000123279046 337963593 /nfs/dbraw/zinc/96/35/93/337963593.db2.gz XLEJQNCYCIATFT-HZMBPMFUSA-N 1 0 302.830 4.611 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000426314489 338026493 /nfs/dbraw/zinc/02/64/93/338026493.db2.gz XOTQXZGDBUQZIK-DNVCBOLYSA-N 1 0 308.400 4.665 20 30 DJEDRO C=CC[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000428372383 338049205 /nfs/dbraw/zinc/04/92/05/338049205.db2.gz IMRGNVGWEMTBIS-UHFFFAOYSA-N 1 0 317.864 4.576 20 30 DJEDRO N#CCC1(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000430070126 338094799 /nfs/dbraw/zinc/09/47/99/338094799.db2.gz WVCCCFXUXTYEDE-UHFFFAOYSA-N 1 0 316.857 4.852 20 30 DJEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000430726589 338112444 /nfs/dbraw/zinc/11/24/44/338112444.db2.gz VNXUZMCKEDBABE-CQSZACIVSA-N 1 0 304.393 4.930 20 30 DJEDRO Cc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc2)c(C)c1 ZINC000430727235 338112599 /nfs/dbraw/zinc/11/25/99/338112599.db2.gz XTJQBUVLAXLRQP-FQEVSTJZSA-N 1 0 304.437 4.676 20 30 DJEDRO N#CCC1(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000430742257 338113026 /nfs/dbraw/zinc/11/30/26/338113026.db2.gz LCJPTENMROPTAW-OAQYLSRUSA-N 1 0 318.464 4.514 20 30 DJEDRO N#CCC[C@H]([NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000430776295 338114623 /nfs/dbraw/zinc/11/46/23/338114623.db2.gz OUKNYARMIYHFHJ-IBGZPJMESA-N 1 0 310.466 4.554 20 30 DJEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000433025188 338176897 /nfs/dbraw/zinc/17/68/97/338176897.db2.gz ITJGUXNCDXBSTP-LJQANCHMSA-N 1 0 323.827 4.736 20 30 DJEDRO CCC(CC)n1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433028067 338177232 /nfs/dbraw/zinc/17/72/32/338177232.db2.gz NMDAWGGKRZHBDA-FQEVSTJZSA-N 1 0 324.472 4.769 20 30 DJEDRO N#CCCC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1 ZINC000433028990 338177282 /nfs/dbraw/zinc/17/72/82/338177282.db2.gz QTBJJZVDJSOFBO-FQEVSTJZSA-N 1 0 322.839 4.716 20 30 DJEDRO CC[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)cc1 ZINC000433100774 338181765 /nfs/dbraw/zinc/18/17/65/338181765.db2.gz NBOWWFXXVRMLGH-KRWDZBQOSA-N 1 0 320.770 4.731 20 30 DJEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433241980 338187469 /nfs/dbraw/zinc/18/74/69/338187469.db2.gz FOPCRURLOSLEOA-LBPRGKRZSA-N 1 0 302.780 4.544 20 30 DJEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCCC2 ZINC000154328480 338241377 /nfs/dbraw/zinc/24/13/77/338241377.db2.gz OWSXKWUFGWZFLQ-ZIAGYGMSSA-N 1 0 310.466 4.910 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000435666616 338244585 /nfs/dbraw/zinc/24/45/85/338244585.db2.gz ABTSGEFLDOOEPW-FFSVYQOJSA-N 1 0 314.256 4.625 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000435729953 338246596 /nfs/dbraw/zinc/24/65/96/338246596.db2.gz CBCKXFCCMMFKQJ-MLZLACJZSA-N 1 0 313.485 4.530 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000436291929 338266572 /nfs/dbraw/zinc/26/65/72/338266572.db2.gz QZWOHKZNHRPUGY-MDYRTPRTSA-N 1 0 311.425 4.578 20 30 DJEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000436299664 338267410 /nfs/dbraw/zinc/26/74/10/338267410.db2.gz GXFAXILRAJUTQL-SDNTUTLCSA-N 1 0 322.374 4.623 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000436302951 338267830 /nfs/dbraw/zinc/26/78/30/338267830.db2.gz BBGTZGPVUIZTPK-UXPWSPDFSA-N 1 0 313.441 4.701 20 30 DJEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000436318057 338268938 /nfs/dbraw/zinc/26/89/38/338268938.db2.gz XABMKEMDQVIEBF-NXHRZFHOSA-N 1 0 307.865 4.608 20 30 DJEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)C1CC1 ZINC000438982696 338357657 /nfs/dbraw/zinc/35/76/57/338357657.db2.gz FVCSLCYFLBLDPM-LJQANCHMSA-N 1 0 308.425 4.708 20 30 DJEDRO CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000439428659 338369145 /nfs/dbraw/zinc/36/91/45/338369145.db2.gz YZSPVQOETPYTQU-CQSZACIVSA-N 1 0 323.827 4.666 20 30 DJEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(Cl)c1 ZINC000439441120 338369690 /nfs/dbraw/zinc/36/96/90/338369690.db2.gz PBMNDNKUTMJTQB-OAHLLOKOSA-N 1 0 302.830 4.610 20 30 DJEDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000439448511 338369886 /nfs/dbraw/zinc/36/98/86/338369886.db2.gz HEIHSMABYQCGQI-LJQANCHMSA-N 1 0 310.828 4.761 20 30 DJEDRO C[C@H]([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000161988251 338410367 /nfs/dbraw/zinc/41/03/67/338410367.db2.gz HBAJIDKJDOAQBJ-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO Cc1cccc(Oc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442776129 338430264 /nfs/dbraw/zinc/43/02/64/338430264.db2.gz BLGAOHHARIFZMD-FUHWJXTLSA-N 1 0 306.409 4.569 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000442778788 338430642 /nfs/dbraw/zinc/43/06/42/338430642.db2.gz BZOMIXAUMSPOGA-OAUYIBNBSA-N 1 0 316.857 4.773 20 30 DJEDRO N#CC1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000442851250 338434691 /nfs/dbraw/zinc/43/46/91/338434691.db2.gz FMDHOWTZOGRHEF-PMTKGXAQSA-N 1 0 314.448 4.977 20 30 DJEDRO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000447526750 338553893 /nfs/dbraw/zinc/55/38/93/338553893.db2.gz CJGKERCVUMREMF-KRWDZBQOSA-N 1 0 318.342 4.818 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000447533491 338554814 /nfs/dbraw/zinc/55/48/14/338554814.db2.gz XTGJCLNYZXUZMK-OAQYLSRUSA-N 1 0 300.405 4.952 20 30 DJEDRO CC[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc(C#N)cc1 ZINC000447538796 338555311 /nfs/dbraw/zinc/55/53/11/338555311.db2.gz DIIYRNJCPFZICN-HXUWFJFHSA-N 1 0 320.436 4.588 20 30 DJEDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447586048 338559413 /nfs/dbraw/zinc/55/94/13/338559413.db2.gz LCLJMEYLBWSETC-XIRDDKMYSA-N 1 0 324.390 4.968 20 30 DJEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000449077792 338591269 /nfs/dbraw/zinc/59/12/69/338591269.db2.gz YUDDXNCSXXXEMY-JQRITLKVSA-N 1 0 310.363 4.828 20 30 DJEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449102193 338593724 /nfs/dbraw/zinc/59/37/24/338593724.db2.gz XSBVLEZMSSHACY-NVPAJSRCSA-N 1 0 324.390 4.698 20 30 DJEDRO CCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(F)cc1F ZINC000449185109 338600403 /nfs/dbraw/zinc/60/04/03/338600403.db2.gz GANVBNNUTCDDGY-GMXGEUMGSA-N 1 0 306.400 4.868 20 30 DJEDRO CC1(C#N)CCC([NH2+]CCCOc2ccc3ccccc3c2)CC1 ZINC000449185807 338600442 /nfs/dbraw/zinc/60/04/42/338600442.db2.gz JTLBUZWTYVQBEU-UHFFFAOYSA-N 1 0 322.452 4.671 20 30 DJEDRO COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447135 338624841 /nfs/dbraw/zinc/62/48/41/338624841.db2.gz WILMZPKYFYWQJT-JXFKEZNVSA-N 1 0 320.436 4.534 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000449771483 338651489 /nfs/dbraw/zinc/65/14/89/338651489.db2.gz JVFPQQQBJFIEGN-RDJZCZTQSA-N 1 0 304.865 4.896 20 30 DJEDRO N#CCCCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453105093 338794346 /nfs/dbraw/zinc/79/43/46/338794346.db2.gz GRYGUHZQBCLQOL-MRXNPFEDSA-N 1 0 321.262 4.500 20 30 DJEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000453281916 338818013 /nfs/dbraw/zinc/81/80/13/338818013.db2.gz BTKXQRLNJKEKNK-RCBQFDQVSA-N 1 0 321.262 4.572 20 30 DJEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)C1 ZINC000453293906 338819872 /nfs/dbraw/zinc/81/98/72/338819872.db2.gz QGVSRIUIOZNZNG-JENIJYKNSA-N 1 0 324.468 4.885 20 30 DJEDRO C=CC(C)(C)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000453308748 338821967 /nfs/dbraw/zinc/82/19/67/338821967.db2.gz NYTNHXCCIXAQNB-IBGZPJMESA-N 1 0 306.409 4.719 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000462065295 339071675 /nfs/dbraw/zinc/07/16/75/339071675.db2.gz MBCKJBWKJROXGZ-NHCUHLMSSA-N 1 0 306.453 4.512 20 30 DJEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000462843340 339093838 /nfs/dbraw/zinc/09/38/38/339093838.db2.gz TVYGEZSKVWURIH-QYWGDWMGSA-N 1 0 304.437 4.923 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000463236966 339111047 /nfs/dbraw/zinc/11/10/47/339111047.db2.gz KJRCUKKQRSARAR-OGWOLHLISA-N 1 0 300.421 4.729 20 30 DJEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463241818 339111305 /nfs/dbraw/zinc/11/13/05/339111305.db2.gz DLTNAFXYVNGIKF-BYNSBNAKSA-N 1 0 324.390 4.869 20 30 DJEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1cccc(Cl)c1 ZINC000463244314 339111605 /nfs/dbraw/zinc/11/16/05/339111605.db2.gz GTYHQBPCNAERSH-WBVHZDCISA-N 1 0 304.865 4.581 20 30 DJEDRO C[C@H](CC[NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000463246652 339111791 /nfs/dbraw/zinc/11/17/91/339111791.db2.gz RTZATEXYNKKOLA-KEYYUXOJSA-N 1 0 324.390 4.871 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CCCCC3)cc2)C1 ZINC000463293731 339113831 /nfs/dbraw/zinc/11/38/31/339113831.db2.gz MOTZJKXCNHFICA-MSOLQXFVSA-N 1 0 312.457 4.570 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cc(F)c(Cl)cc1Cl ZINC000463298072 339113966 /nfs/dbraw/zinc/11/39/66/339113966.db2.gz UJIAGSUCRZEFDF-DCAQKATOSA-N 1 0 315.219 4.865 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000463295951 339113999 /nfs/dbraw/zinc/11/39/99/339113999.db2.gz QOUDDLUGVCGKIY-NRSPTQNISA-N 1 0 304.437 4.642 20 30 DJEDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)cc1 ZINC000463298599 339114091 /nfs/dbraw/zinc/11/40/91/339114091.db2.gz DOMKWULITBTEHZ-PXNSSMCTSA-N 1 0 320.436 4.534 20 30 DJEDRO C=CC[N@@H+](CCCC1CCOCC1)Cc1ccc(Cl)s1 ZINC000463301342 339114224 /nfs/dbraw/zinc/11/42/24/339114224.db2.gz PFBCSDCWKAJWQO-UHFFFAOYSA-N 1 0 313.894 4.596 20 30 DJEDRO CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000463304698 339114295 /nfs/dbraw/zinc/11/42/95/339114295.db2.gz SDAJSZPSTHCRBU-UXLLHSPISA-N 1 0 302.487 4.920 20 30 DJEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(SC)cc2)c1 ZINC000466416481 339203645 /nfs/dbraw/zinc/20/36/45/339203645.db2.gz RUURWAZHWHUSQH-OAHLLOKOSA-N 1 0 313.466 4.824 20 30 DJEDRO Cc1oc2ccccc2c1CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000467007073 339224425 /nfs/dbraw/zinc/22/44/25/339224425.db2.gz YJPHJLOVIQLIPC-AWEZNQCLSA-N 1 0 304.393 4.506 20 30 DJEDRO C=C(C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1)c1ccccc1 ZINC000467338474 339232408 /nfs/dbraw/zinc/23/24/08/339232408.db2.gz ZSBNOHHAFWOMKV-VQTJNVASSA-N 1 0 306.453 4.719 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467359595 339233928 /nfs/dbraw/zinc/23/39/28/339233928.db2.gz ONSTVAJOXMNQKH-BVGQSLNGSA-N 1 0 302.849 4.853 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467359596 339233984 /nfs/dbraw/zinc/23/39/84/339233984.db2.gz ONSTVAJOXMNQKH-FSPWUOQZSA-N 1 0 302.849 4.853 20 30 DJEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000467438027 339238554 /nfs/dbraw/zinc/23/85/54/339238554.db2.gz YGMIZVYTOQRTOY-CQSZACIVSA-N 1 0 306.434 4.666 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000467446323 339239228 /nfs/dbraw/zinc/23/92/28/339239228.db2.gz DLSXRFXPVQTMDL-YPMHNXCESA-N 1 0 309.240 4.654 20 30 DJEDRO Cc1ccc2cc([C@@H](C)[NH2+]CCc3cccc(C#N)c3)oc2c1 ZINC000467447965 339239362 /nfs/dbraw/zinc/23/93/62/339239362.db2.gz VOFNCOYEGUSUTQ-OAHLLOKOSA-N 1 0 304.393 4.506 20 30 DJEDRO CC(C)(CCC#N)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000467550278 339242110 /nfs/dbraw/zinc/24/21/10/339242110.db2.gz IPXZLHYVAZGUOC-UHFFFAOYSA-N 1 0 322.855 4.931 20 30 DJEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000467736809 339245215 /nfs/dbraw/zinc/24/52/15/339245215.db2.gz XYCJDPXLPRARTC-MNOVXSKESA-N 1 0 306.397 4.947 20 30 DJEDRO C[C@@H]([N@H+](CCCSCC#N)Cc1ccccc1)C(C)(C)C ZINC000469446653 339289526 /nfs/dbraw/zinc/28/95/26/339289526.db2.gz QYLJYBHAUWFPCY-MRXNPFEDSA-N 1 0 304.503 4.570 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000471583832 339348030 /nfs/dbraw/zinc/34/80/30/339348030.db2.gz BWMOQNIWKODGMY-NIKGAXFTSA-N 1 0 310.828 4.711 20 30 DJEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000471599587 339348956 /nfs/dbraw/zinc/34/89/56/339348956.db2.gz ULUJTWZEYSNJHQ-HMXCVIKNSA-N 1 0 304.437 4.642 20 30 DJEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000471621797 339349731 /nfs/dbraw/zinc/34/97/31/339349731.db2.gz UIDHARHBOCLVDA-WQVCFCJDSA-N 1 0 310.363 4.684 20 30 DJEDRO Cc1ccc2c(C3=CC[N@H+](CCCC(C)(C)C#N)CC3)c[nH]c2c1 ZINC000472442505 339371780 /nfs/dbraw/zinc/37/17/80/339371780.db2.gz BHBUODDKPQFPCQ-UHFFFAOYSA-N 1 0 321.468 4.895 20 30 DJEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000474056669 339399592 /nfs/dbraw/zinc/39/95/92/339399592.db2.gz LSIDVFCIERRLFI-JLTOFOAXSA-N 1 0 320.436 4.640 20 30 DJEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000479391004 339532857 /nfs/dbraw/zinc/53/28/57/339532857.db2.gz MDJJTWBQZMUPMT-QWHCGFSZSA-N 1 0 311.267 4.630 20 30 DJEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000479391002 339532834 /nfs/dbraw/zinc/53/28/34/339532834.db2.gz MDJJTWBQZMUPMT-CHWSQXEVSA-N 1 0 311.267 4.630 20 30 DJEDRO C=C(C)[C@@H]([NH2+]C[C@@H](C)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000479417805 339534015 /nfs/dbraw/zinc/53/40/15/339534015.db2.gz GFODBTOPUOSACV-IFXJQAMLSA-N 1 0 323.427 4.624 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000479489700 339537767 /nfs/dbraw/zinc/53/77/67/339537767.db2.gz NDGGPJKKMQIZHR-BOUXLOLZSA-N 1 0 308.400 4.684 20 30 DJEDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(C#N)cc1F ZINC000479489182 339537777 /nfs/dbraw/zinc/53/77/77/339537777.db2.gz LQLKURSESOYCET-CWTRNNRKSA-N 1 0 312.363 4.565 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@H](C)CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480668315 339582321 /nfs/dbraw/zinc/58/23/21/339582321.db2.gz MJUYIOXWCNZHQZ-QMTHXVAHSA-N 1 0 307.306 4.903 20 30 DJEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000480668312 339582368 /nfs/dbraw/zinc/58/23/68/339582368.db2.gz MJUYIOXWCNZHQZ-IINYFYTJSA-N 1 0 307.306 4.903 20 30 DJEDRO CC(C)(CCC#N)C[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481833109 339615102 /nfs/dbraw/zinc/61/51/02/339615102.db2.gz AWHJERMYVBKPFK-UHFFFAOYSA-N 1 0 308.828 4.587 20 30 DJEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000481995131 339619053 /nfs/dbraw/zinc/61/90/53/339619053.db2.gz UVNNWQCYQFUZQO-HXUWFJFHSA-N 1 0 320.411 4.744 20 30 DJEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481995462 339619056 /nfs/dbraw/zinc/61/90/56/339619056.db2.gz VILOBIDRUFHPRH-DLBZAZTESA-N 1 0 324.390 4.892 20 30 DJEDRO Cc1ccc(C[C@H]([NH2+]CCCCC#N)c2ccc(C)cc2)cc1 ZINC000482436114 339631226 /nfs/dbraw/zinc/63/12/26/339631226.db2.gz IJORMIPAXUGYKX-NRFANRHFSA-N 1 0 306.453 4.871 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ncsc2c1)c1ccc(C#N)cc1 ZINC000485817789 339713625 /nfs/dbraw/zinc/71/36/25/339713625.db2.gz LFBWDQNVBKNKFA-OLZOCXBDSA-N 1 0 307.422 4.580 20 30 DJEDRO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488127040 339771292 /nfs/dbraw/zinc/77/12/92/339771292.db2.gz OVZKRIHTPHHUOK-LJQANCHMSA-N 1 0 308.425 4.506 20 30 DJEDRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(C#N)cc1F ZINC000495016798 339970261 /nfs/dbraw/zinc/97/02/61/339970261.db2.gz KJPKXYARHGSBBJ-TZMCWYRMSA-N 1 0 310.363 4.564 20 30 DJEDRO CC(C)C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccs1 ZINC000499625388 340041568 /nfs/dbraw/zinc/04/15/68/340041568.db2.gz LJNFHEGQCCLQHY-INIZCTEOSA-N 1 0 320.502 4.525 20 30 DJEDRO N#CC1(CCC[N@@H+]2CCCC3(CCCCC3)CC2)CCOCC1 ZINC000499707262 340043078 /nfs/dbraw/zinc/04/30/78/340043078.db2.gz HNSALVIZXMYJKB-UHFFFAOYSA-N 1 0 318.505 4.523 20 30 DJEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000500030323 340048894 /nfs/dbraw/zinc/04/88/94/340048894.db2.gz PKLDHNUPKRNVHN-XTWGIRIWSA-N 1 0 318.464 4.784 20 30 DJEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2SC)cc1 ZINC000500450962 340059269 /nfs/dbraw/zinc/05/92/69/340059269.db2.gz KRAXETANFLVNRU-OAHLLOKOSA-N 1 0 313.466 4.824 20 30 DJEDRO N#CC1(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)CC1 ZINC000501535446 340082856 /nfs/dbraw/zinc/08/28/56/340082856.db2.gz WMVAPYMZBOZULD-UHFFFAOYSA-N 1 0 322.374 4.754 20 30 DJEDRO C[C@@H](c1cccc(F)c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502497760 340106083 /nfs/dbraw/zinc/10/60/83/340106083.db2.gz YSFMHVNNQRSTFC-HNNXBMFYSA-N 1 0 306.384 4.548 20 30 DJEDRO CC[N@H+](Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000505249759 340164799 /nfs/dbraw/zinc/16/47/99/340164799.db2.gz VFLLCEJZBJNWRD-UHFFFAOYSA-N 1 0 300.446 4.524 20 30 DJEDRO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(C#N)cc1F ZINC000506221801 340189150 /nfs/dbraw/zinc/18/91/50/340189150.db2.gz VWYBSPQPPATYEE-VOJFVSQTSA-N 1 0 314.791 4.689 20 30 DJEDRO CC(C)(CCC#N)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000506584702 340197207 /nfs/dbraw/zinc/19/72/07/340197207.db2.gz NHXDPJIFWZXOCW-UHFFFAOYSA-N 1 0 324.390 5.000 20 30 DJEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000507204168 340213165 /nfs/dbraw/zinc/21/31/65/340213165.db2.gz QIQQHQJDTPBMAV-CYBMUJFWSA-N 1 0 318.342 4.770 20 30 DJEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000507331982 340217515 /nfs/dbraw/zinc/21/75/15/340217515.db2.gz GYGNUEQCNJTSLN-NSHDSACASA-N 1 0 324.371 4.832 20 30 DJEDRO Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000507691010 340228413 /nfs/dbraw/zinc/22/84/13/340228413.db2.gz OHKJXNMHMRUEDD-UHFFFAOYSA-N 1 0 312.388 4.520 20 30 DJEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC000507913045 340235711 /nfs/dbraw/zinc/23/57/11/340235711.db2.gz ITZRDERBTOTKHV-GFCCVEGCSA-N 1 0 319.235 4.586 20 30 DJEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000508607699 340248002 /nfs/dbraw/zinc/24/80/02/340248002.db2.gz BWACDZNJLWCCOD-MRXNPFEDSA-N 1 0 308.425 4.540 20 30 DJEDRO CC[N@H+](Cc1cnc(C(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000508662705 340249965 /nfs/dbraw/zinc/24/99/65/340249965.db2.gz DLPSFJFNKONQGS-CQSZACIVSA-N 1 0 313.470 4.721 20 30 DJEDRO C=C(C)CC[N@@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000509008160 340258134 /nfs/dbraw/zinc/25/81/34/340258134.db2.gz VZJPJESHHRBMEJ-UHFFFAOYSA-N 1 0 319.836 4.568 20 30 DJEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(C)nc2ccccc12 ZINC000510221572 340293080 /nfs/dbraw/zinc/29/30/80/340293080.db2.gz IMCLWOIBYOHKMG-UHFFFAOYSA-N 1 0 302.421 4.731 20 30 DJEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000511104156 340320608 /nfs/dbraw/zinc/32/06/08/340320608.db2.gz ANTCFRGFODXPRH-MRXNPFEDSA-N 1 0 304.865 4.677 20 30 DJEDRO CSc1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000511116055 340321375 /nfs/dbraw/zinc/32/13/75/340321375.db2.gz PQHWNUSFUVRNSJ-MOPGFXCFSA-N 1 0 322.477 4.680 20 30 DJEDRO N#CCCCC[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511138564 340322090 /nfs/dbraw/zinc/32/20/90/340322090.db2.gz NXEINMDWXCZQSN-OAHLLOKOSA-N 1 0 310.363 4.579 20 30 DJEDRO CSc1ccccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000511202110 340323867 /nfs/dbraw/zinc/32/38/67/340323867.db2.gz XPOVIEMQZAZYDH-UHFFFAOYSA-N 1 0 320.461 4.569 20 30 DJEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@H](C)c1cc2ccccc2o1 ZINC000511764659 340337691 /nfs/dbraw/zinc/33/76/91/340337691.db2.gz HOVXTZUIIHLFPT-CQSZACIVSA-N 1 0 308.381 4.871 20 30 DJEDRO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000512224474 340353061 /nfs/dbraw/zinc/35/30/61/340353061.db2.gz IQBZOARKXBDJSX-MJGOQNOKSA-N 1 0 314.473 4.675 20 30 DJEDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)c1ccc(C#N)cc1F ZINC000512290233 340355699 /nfs/dbraw/zinc/35/56/99/340355699.db2.gz XXCYYNSBTGCFRN-OAHLLOKOSA-N 1 0 308.400 4.513 20 30 DJEDRO C=CCOc1ccc(C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)cc1 ZINC000512537404 340366053 /nfs/dbraw/zinc/36/60/53/340366053.db2.gz RYESCQMTXKOKOG-UHFFFAOYSA-N 1 0 320.436 4.639 20 30 DJEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1Cl ZINC000512628985 340369811 /nfs/dbraw/zinc/36/98/11/340369811.db2.gz HHJMXCGMSUXLGC-MNOVXSKESA-N 1 0 320.770 4.902 20 30 DJEDRO C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccc(C#N)cc1F ZINC000512628700 340369915 /nfs/dbraw/zinc/36/99/15/340369915.db2.gz GGBXNRFHBWYIJZ-MNOVXSKESA-N 1 0 320.770 4.902 20 30 DJEDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)ccc1F ZINC000512649974 340370918 /nfs/dbraw/zinc/37/09/18/340370918.db2.gz VZJIWTPLQSQUJL-QWHCGFSZSA-N 1 0 300.352 4.557 20 30 DJEDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)ccc1F ZINC000512649975 340370926 /nfs/dbraw/zinc/37/09/26/340370926.db2.gz VZJIWTPLQSQUJL-STQMWFEESA-N 1 0 300.352 4.557 20 30 DJEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404073809 340376891 /nfs/dbraw/zinc/37/68/91/340376891.db2.gz MOCATDTZYVVSGF-LBPRGKRZSA-N 1 0 302.780 4.544 20 30 DJEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1cccc(C#N)c1 ZINC000512868323 340381783 /nfs/dbraw/zinc/38/17/83/340381783.db2.gz AVELBTPLDVGJCG-UHFFFAOYSA-N 1 0 319.452 4.859 20 30 DJEDRO N#CCCCC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000178648039 340451134 /nfs/dbraw/zinc/45/11/34/340451134.db2.gz QTVPIAGZUCOVPC-NRFANRHFSA-N 1 0 306.453 4.514 20 30 DJEDRO CC(C)COc1ccc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000236666742 340663553 /nfs/dbraw/zinc/66/35/53/340663553.db2.gz LBWYEFLPWWDJSZ-UHFFFAOYSA-N 1 0 322.452 4.618 20 30 DJEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(C)(C)C)cc1 ZINC000236787140 340665058 /nfs/dbraw/zinc/66/50/58/340665058.db2.gz ZTMHBULLKCRHRP-IBGZPJMESA-N 1 0 310.441 4.936 20 30 DJEDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000538509802 340829900 /nfs/dbraw/zinc/82/99/00/340829900.db2.gz SWBZNYHGJFXOLQ-NSHDSACASA-N 1 0 322.305 4.567 20 30 DJEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539497505 340887754 /nfs/dbraw/zinc/88/77/54/340887754.db2.gz XWWDDKGXJAFGIM-IAGOWNOFSA-N 1 0 322.452 4.895 20 30 DJEDRO CCc1cccc2c(C3CC[NH+](CCC(C)(C)C#N)CC3)c[nH]c21 ZINC000539588810 340891401 /nfs/dbraw/zinc/89/14/01/340891401.db2.gz UDELFGAWLOLBQG-UHFFFAOYSA-N 1 0 323.484 4.850 20 30 DJEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc2ccccc21 ZINC000540342940 340927736 /nfs/dbraw/zinc/92/77/36/340927736.db2.gz QIJTZSYPOGVOPQ-AWEZNQCLSA-N 1 0 304.368 4.701 20 30 DJEDRO CSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000541221013 340962606 /nfs/dbraw/zinc/96/26/06/340962606.db2.gz JEELMPHKVCOTTC-CABCVRRESA-N 1 0 310.466 4.562 20 30 DJEDRO C=CCC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C(F)(F)F)cc1 ZINC000541555443 340974300 /nfs/dbraw/zinc/97/43/00/340974300.db2.gz FCQRNQJJEOTBPY-CABCVRRESA-N 1 0 315.404 4.808 20 30 DJEDRO CC(C)COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000130387832 341020658 /nfs/dbraw/zinc/02/06/58/341020658.db2.gz YNSQHJVVBIPKNJ-OAQYLSRUSA-N 1 0 322.452 4.856 20 30 DJEDRO N#CCc1ccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000543207690 341036853 /nfs/dbraw/zinc/03/68/53/341036853.db2.gz IAASNVQDXNXWOL-FQEVSTJZSA-N 1 0 308.400 4.619 20 30 DJEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543497244 341047493 /nfs/dbraw/zinc/04/74/93/341047493.db2.gz JDGRBEWAJNABDB-OLZOCXBDSA-N 1 0 312.379 4.727 20 30 DJEDRO CC[C@H](CC(F)(F)F)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000545459886 341125988 /nfs/dbraw/zinc/12/59/88/341125988.db2.gz DZLWGCHFWMFQFV-KLAILNCOSA-N 1 0 324.390 4.711 20 30 DJEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000545872195 341143750 /nfs/dbraw/zinc/14/37/50/341143750.db2.gz XBHHRJHUHAYABV-PMPSAXMXSA-N 1 0 310.363 4.623 20 30 DJEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000546685934 341178691 /nfs/dbraw/zinc/17/86/91/341178691.db2.gz FOXASCBITSQWRK-OLZOCXBDSA-N 1 0 321.873 4.656 20 30 DJEDRO CCCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755633 341182066 /nfs/dbraw/zinc/18/20/66/341182066.db2.gz XOOGMVGMFNBWAG-MRXNPFEDSA-N 1 0 308.425 4.588 20 30 DJEDRO C=CCC(CC=C)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000546944418 341188086 /nfs/dbraw/zinc/18/80/86/341188086.db2.gz FMZPRRILGPCBKT-UHFFFAOYSA-N 1 0 323.440 4.568 20 30 DJEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000236696602 341194821 /nfs/dbraw/zinc/19/48/21/341194821.db2.gz RHWPNPWAAHHWST-UHFFFAOYSA-N 1 0 317.379 4.555 20 30 DJEDRO N#Cc1cccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000237876182 341222351 /nfs/dbraw/zinc/22/23/51/341222351.db2.gz SCYOZLGXOKOAPP-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000237876098 341222442 /nfs/dbraw/zinc/22/24/42/341222442.db2.gz QZCIOUSDAVCSGJ-FQEVSTJZSA-N 1 0 308.400 4.718 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000078973427 341251017 /nfs/dbraw/zinc/25/10/17/341251017.db2.gz BYUZEEHXYUNOMJ-QWHCGFSZSA-N 1 0 318.342 4.989 20 30 DJEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000136223769 341255284 /nfs/dbraw/zinc/25/52/84/341255284.db2.gz ZOXCOUUJPGSBBR-SNVBAGLBSA-N 1 0 323.198 4.855 20 30 DJEDRO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ccc1F ZINC000549157671 341287562 /nfs/dbraw/zinc/28/75/62/341287562.db2.gz HROBZDWPEQTNBS-FNLKRUPLSA-N 1 0 320.411 4.608 20 30 DJEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549170008 341287795 /nfs/dbraw/zinc/28/77/95/341287795.db2.gz FGTCWBVQYQJWIF-XJKSGUPXSA-N 1 0 322.374 4.674 20 30 DJEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Oc2ccccc2)cc1 ZINC000549535958 341296826 /nfs/dbraw/zinc/29/68/26/341296826.db2.gz MUVUCOLQOPJPNF-JZXOWHBKSA-N 1 0 306.409 4.822 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000549927604 341307092 /nfs/dbraw/zinc/30/70/92/341307092.db2.gz BRDDCENVGXIKMV-YQQAZPJKSA-N 1 0 324.399 4.961 20 30 DJEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000549997608 341308433 /nfs/dbraw/zinc/30/84/33/341308433.db2.gz NHSWYEIGSTUNIN-ISWURRPUSA-N 1 0 322.374 4.623 20 30 DJEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000550210431 341312480 /nfs/dbraw/zinc/31/24/80/341312480.db2.gz BXEZYGUKXOGEID-INIZCTEOSA-N 1 0 322.427 4.616 20 30 DJEDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000550832064 341324032 /nfs/dbraw/zinc/32/40/32/341324032.db2.gz AOIGLGSDTDTKIV-NQIIRXRSSA-N 1 0 306.453 4.951 20 30 DJEDRO Cc1cc(C)c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C ZINC000551564856 341345587 /nfs/dbraw/zinc/34/55/87/341345587.db2.gz QHVJMOOSRZVFCN-KRWDZBQOSA-N 1 0 304.437 4.823 20 30 DJEDRO C=CCC[C@@H]([NH2+]CCc1nc2c(cccc2C)o1)c1ccco1 ZINC000552045317 341364555 /nfs/dbraw/zinc/36/45/55/341364555.db2.gz CTZDGFCUBXYEMS-OAHLLOKOSA-N 1 0 310.397 4.569 20 30 DJEDRO C=CCC[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccco1 ZINC000552045845 341364767 /nfs/dbraw/zinc/36/47/67/341364767.db2.gz QXZHZFUMXAEDBA-IBGZPJMESA-N 1 0 306.409 4.667 20 30 DJEDRO C[C@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000552311976 341385743 /nfs/dbraw/zinc/38/57/43/341385743.db2.gz KNOBEBUSEANXKJ-OXQOHEQNSA-N 1 0 310.416 4.954 20 30 DJEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000248901999 341389804 /nfs/dbraw/zinc/38/98/04/341389804.db2.gz UNZVAPIYLSENRP-YSGRDPCXSA-N 1 0 308.400 4.587 20 30 DJEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000249038852 341392524 /nfs/dbraw/zinc/39/25/24/341392524.db2.gz UEPKTYMUKMWSKN-UIAACRFSSA-N 1 0 308.400 4.587 20 30 DJEDRO COc1ccccc1[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCCC1 ZINC000091283996 341424065 /nfs/dbraw/zinc/42/40/65/341424065.db2.gz AAOWQDCLMMGCLJ-NRFANRHFSA-N 1 0 320.436 4.588 20 30 DJEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccc2ccccc21 ZINC000554987932 341471674 /nfs/dbraw/zinc/47/16/74/341471674.db2.gz GXUWHKZOZWYMNY-LSDHHAIUSA-N 1 0 301.393 4.518 20 30 DJEDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000154332290 341588191 /nfs/dbraw/zinc/58/81/91/341588191.db2.gz CRRWAEKSYFPPOC-SCLBCKFNSA-N 1 0 324.399 4.650 20 30 DJEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000174324088 341826043 /nfs/dbraw/zinc/82/60/43/341826043.db2.gz SHZMIEZZVQBJIK-INIZCTEOSA-N 1 0 322.399 4.585 20 30 DJEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000577237142 341899567 /nfs/dbraw/zinc/89/95/67/341899567.db2.gz MOAUWOPSEOWDFD-SFTDATJTSA-N 1 0 302.421 4.677 20 30 DJEDRO N#Cc1csc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000177697257 341924276 /nfs/dbraw/zinc/92/42/76/341924276.db2.gz AJCCQXHSNDGENZ-KRWDZBQOSA-N 1 0 316.857 4.904 20 30 DJEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1F ZINC000516849175 518196491 /nfs/dbraw/zinc/19/64/91/518196491.db2.gz AKPCEHFWDZFINU-SFHVURJKSA-N 1 0 314.791 4.518 20 30 DJEDRO C[C@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)c1ccc(C#N)cc1 ZINC000130430863 525637180 /nfs/dbraw/zinc/63/71/80/525637180.db2.gz JPJGHXMOXGAION-MKBNYLNASA-N 1 0 314.479 4.896 20 30 DJEDRO